The CSV file with the chemogenomic set can be downloaded from here.
Compound name
Protein family
Target name
Affinity Biochemical (nM)
Affinity On-target Cellular (nM)
Chemogenomic Set
Recommended Concentration
More
BI-9564
Bromodomain
BRD9@BRD
Kd = 5.9
IC50 < 100
Epigenetic set
1 µM
Compound EUbOPEN ID
EUB0000004c
SMILES
COc1cc(-c2cn(C)c(=O)c3cnccc23)c(OC)cc1CN(C)C
InChIKey
BJFSUDWKXGMUKA-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
FLJ13441
Mode of action
Inhibitor
Affinity biochemical assay type
Competition binding assay (DiscoverX)
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
Recovery After Photobleaching (FRAP) assay U2OS cells
Selectivity platform
Bromodomain panel, literature
Selectivity platform number of targets
48
Selectivity remarks
Screened at 10 µM in DSF assays, dTm(BRD7) = 6.47 K, dTm(BRD9) = 9.21 K, closest target: dTm(CERC2) = 5.61 K, all other bromodomains <2 K; In vitro follow up of closest target: Kd(CERC2, ITC) = 200 nM; Screened against 32 bromodomains at 10 µM (Bromoscan and BromoMax
Selectivity Source Knowledge
Compound image 
BI-9564
Bromodomain
BRD7@BRD
Kd = 73
IC50 < 1000
Epigenetic set
1 µM
Compound EUbOPEN ID
EUB0000004c
SMILES
COc1cc(-c2cn(C)c(=O)c3cnccc23)c(OC)cc1CN(C)C
InChIKey
BJFSUDWKXGMUKA-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
CELTIX1, BP75
Mode of action
Inhibitor
Affinity biochemical assay type
Competition binding assay (DiscoverX)
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
Recovery After Photobleaching (FRAP) assay U2OS cells
Selectivity platform
Bromodomain panel, literature
Selectivity platform number of targets
48
Selectivity remarks
Screened at 10 µM in DSF assays, dTm(BRD7) = 6.47 K, dTm(BRD9) = 9.21 K, closest target: dTm(CERC2) = 5.61 K, all other bromodomains <2 K; In vitro follow up of closest target: Kd(CERC2, ITC) = 200 nM; Screened against 32 bromodomains at 10 µM (Bromoscan and BromoMax
Selectivity Source Knowledge
Compound image 
DDR-TRK-1 (D2202-1)
Protein Kinase
DDR1
IC50 = 27
IC50 = 104
Kinase set
1 µM
Compound EUbOPEN ID
EUB0000005b
SMILES
Cc1cn(-c2cc(NC(=O)c3ccc4c(c3)CN(c3cncnc3)C[C@@H]4C)cc(C(F)(F)F)c2)cn1
InChIKey
CMJJZRAAQMUAFH-INIZCTEOSA-N
NCBI gene ID
UniProt ID
Synonyms
RTK6, CD167
Mode of action
Inhibitor
Negative control
DDR-TRK-1N (380079)
Affinity biochemical assay type
Enzymatic inhibition assay
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
NanoBRET assay (HEK293T cells)
Selectivity platform
ScanMAX (DiscoverX)
Selectivity platform number of targets
468
Selectivity remarks
Screened at 1 µM, in vitro activity of closest targets: Kd(CDK11) = 370 nM, Kd(EPHA8) = 550 nM, Kd(MUSK) = 530 nM
Selectivity Source Knowledge
Compound image 
DDR-TRK-1 (D2202-1)
Protein Kinase
DDR2
IC50 = 3.5
IC50 = 175
Kinase set
1 µM
Compound EUbOPEN ID
EUB0000005b
SMILES
Cc1cn(-c2cc(NC(=O)c3ccc4c(c3)CN(c3cncnc3)C[C@@H]4C)cc(C(F)(F)F)c2)cn1
InChIKey
CMJJZRAAQMUAFH-INIZCTEOSA-N
NCBI gene ID
UniProt ID
Synonyms
TKT
Mode of action
Inhibitor
Negative control
DDR-TRK-1N (380079)
Affinity biochemical assay type
Enzymatic inhibition assay
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
NanoBRET assay (HEK293T cells)
Selectivity platform
ScanMAX (DiscoverX)
Selectivity platform number of targets
468
Selectivity remarks
Screened at 1 µM, in vitro activity of closest targets: Kd(CDK11) = 370 nM, Kd(EPHA8) = 550 nM, Kd(MUSK) = 530 nM
Selectivity Source Knowledge
Compound image 
DDR-TRK-1 (D2202-1)
Protein Kinase
NTRK1
IC50 = 43
IC50 = 448
Kinase set
1 µM
Compound EUbOPEN ID
EUB0000005b
SMILES
Cc1cn(-c2cc(NC(=O)c3ccc4c(c3)CN(c3cncnc3)C[C@@H]4C)cc(C(F)(F)F)c2)cn1
InChIKey
CMJJZRAAQMUAFH-INIZCTEOSA-N
NCBI gene ID
UniProt ID
Synonyms
TRK, TRKA, MTC
Mode of action
Inhibitor
Negative control
DDR-TRK-1N (380079)
Affinity biochemical assay type
Enzymatic inhibition assay
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
NanoBRET assay (HEK293T cells)
Selectivity platform
ScanMAX (DiscoverX)
Selectivity platform number of targets
468
Selectivity remarks
Screened at 1 µM, in vitro activity of closest targets: Kd(CDK11) = 370 nM, Kd(EPHA8) = 550 nM, Kd(MUSK) = 530 nM
Selectivity Source Knowledge
Compound image 
DDR-TRK-1 (D2202-1)
Protein Kinase
NTRK2
IC50 = 3.6
IC50 = 14
Kinase set
1 µM
Compound EUbOPEN ID
EUB0000005b
SMILES
Cc1cn(-c2cc(NC(=O)c3ccc4c(c3)CN(c3cncnc3)C[C@@H]4C)cc(C(F)(F)F)c2)cn1
InChIKey
CMJJZRAAQMUAFH-INIZCTEOSA-N
NCBI gene ID
UniProt ID
Synonyms
TRKB
Mode of action
Inhibitor
Negative control
DDR-TRK-1N (380079)
Affinity biochemical assay type
Enzymatic inhibition assay
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
NanoBRET assay (HEK293T cells)
Selectivity platform
ScanMAX (DiscoverX)
Selectivity platform number of targets
468
Selectivity remarks
Screened at 1 µM, in vitro activity of closest targets: Kd(CDK11) = 370 nM, Kd(EPHA8) = 550 nM, Kd(MUSK) = 530 nM
Selectivity Source Knowledge
Compound image 
DDR-TRK-1 (D2202-1)
Protein Kinase
NTRK3
IC50 = 2.9
Kinase set
1 µM
Compound EUbOPEN ID
EUB0000005b
SMILES
Cc1cn(-c2cc(NC(=O)c3ccc4c(c3)CN(c3cncnc3)C[C@@H]4C)cc(C(F)(F)F)c2)cn1
InChIKey
CMJJZRAAQMUAFH-INIZCTEOSA-N
NCBI gene ID
UniProt ID
Synonyms
TRKC
Mode of action
Inhibitor
Negative control
DDR-TRK-1N (380079)
Affinity biochemical assay type
Enzymatic inhibition assay
Affinity Biochemical Source Knowledge
Selectivity platform
ScanMAX (DiscoverX)
Selectivity platform number of targets
468
Selectivity remarks
Screened at 1 µM, in vitro activity of closest targets: Kd(CDK11) = 370 nM, Kd(EPHA8) = 550 nM, Kd(MUSK) = 530 nM
Selectivity Source Knowledge
Compound image 
FM-381
Protein Kinase
JAK3@kinase 1
IC50 = 0.154
IC50 = 100
Kinase set
100 nM
Compound EUbOPEN ID
EUB0000006b
SMILES
CN(C)C(=O)/C(C#N)=C/c1ccc(-c2nc3cnc4[nH]ccc4c3n2C2CCCCC2)o1
InChIKey
GJMZWYLOARVASY-NTCAYCPXSA-N
NCBI gene ID
UniProt ID
Synonyms
L-JAK, JAKL, LJAK, JAK3_HUMAN, JAK-3
Mode of action
Inhibitor
Negative control
FM-479
Affinity biochemical assay type
Radiometric inhibition assay
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
NanoBRET assay (HEK293T cells)
Selectivity platform
Kinase panel (ProQinase)
Selectivity platform number of targets
410
Selectivity remarks
No targets with >70% inhibition at 100 nM and 500 nM
Selectivity Source Knowledge
Compound image 
FM-479
Protein Kinase
JAK3@kinase 1
Negative Control
Kinase set
100 nM
Compound EUbOPEN ID
EUB0000007b
SMILES
CN(C)C(=O)/C(C#N)=C/c1ccc(-c2nc3cnc4c(ccn4C)c3n2C2CCCCC2)o1
InChIKey
RPIGHLXKDWUGDT-DTQAZKPQSA-N
NCBI gene ID
UniProt ID
Synonyms
L-JAK, JAKL, LJAK, JAK3_HUMAN, JAK-3
Mode of action
Negative control for FM-381
Affinity Biochemical Source Knowledge
Compound image 
MU1210
Protein Kinase
DYRK1A
IC50 = 213
Ki = 6580
Kinase set
1 µM
Compound EUbOPEN ID
EUB0000008b
SMILES
CN1C=C(C2=NC3=C(OC=C3C4=CC(C5=CC=NC=C5)=CC=C4)C=C2)C=N1
InChIKey
HEAGNKNMQVIVMM-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Mode of action
Inhibitor
Negative control
MU140
Affinity biochemical assay type
Eurofins radiometric assay
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
NanoBRET assay (in HEK293T cells)
Affinity on-target cellular source knowledge
Selectivity platform
Eurofins kinase panel
Selectivity platform number of targets
210
Selectivity remarks
Screened at 1 µM, closest targets as % of activity: HIPK2 (99%), HIPK3 (94%), GSK3A (90%); Eurofins binding assay: IC50(HIPK1) = 187 nM, IC50(HIPK2) = 23 nM, IC50(CLK3) >3 µM; In-cellular potency (NanoBRET assay in HEK293T cells): Ki(HIPK2) >10 µM, Ki(HIPK4) = 5.41 µM
Selectivity Source Knowledge
Compound image 
MU1210
Protein Kinase
DYRK1B
IC50 = 956
Ki = 10000
Kinase set
1 µM
Compound EUbOPEN ID
EUB0000008b
SMILES
CN1C=C(C2=NC3=C(OC=C3C4=CC(C5=CC=NC=C5)=CC=C4)C=C2)C=N1
InChIKey
HEAGNKNMQVIVMM-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Mode of action
Inhibitor
Negative control
MU140
Affinity biochemical assay type
Eurofins radiometric assay
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
NanoBRET assay (in HEK293T cells)
Affinity on-target cellular source knowledge
Selectivity platform
Eurofins kinase panel
Selectivity platform number of targets
210
Selectivity remarks
Screened at 1 µM, closest targets as % of activity: HIPK2 (99%), HIPK3 (94%), GSK3A (90%); Eurofins binding assay: IC50(HIPK1) = 187 nM, IC50(HIPK2) = 23 nM, IC50(CLK3) >3 µM; In-cellular potency (NanoBRET assay in HEK293T cells): Ki(HIPK2) >10 µM, Ki(HIPK4) = 5.41 µM
Selectivity Source Knowledge
Compound image 
MU1210
Protein Kinase
DYRK2
IC50 = 1309
Ki = 1700
Kinase set
1 µM
Compound EUbOPEN ID
EUB0000008b
SMILES
CN1C=C(C2=NC3=C(OC=C3C4=CC(C5=CC=NC=C5)=CC=C4)C=C2)C=N1
InChIKey
HEAGNKNMQVIVMM-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
MIRK
Mode of action
Inhibitor
Negative control
MU140
Affinity biochemical assay type
Eurofins radiometric assay
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
NanoBRET assay (in HEK293T cells)
Affinity on-target cellular source knowledge
Selectivity platform
Eurofins kinase panel
Selectivity platform number of targets
210
Selectivity remarks
Screened at 1 µM, closest targets as % of activity: HIPK2 (99%), HIPK3 (94%), GSK3A (90%); Eurofins binding assay: IC50(HIPK1) = 187 nM, IC50(HIPK2) = 23 nM, IC50(CLK3) >3 µM; In-cellular potency (NanoBRET assay in HEK293T cells): Ki(HIPK2) >10 µM, Ki(HIPK4) = 5.41 µM
Selectivity Source Knowledge
Compound image 
MU1210
Protein Kinase
CLK1
IC50 = 8
Ki = 84
Kinase set
1 µM
Compound EUbOPEN ID
EUB0000008b
SMILES
CN1C=C(C2=NC3=C(OC=C3C4=CC(C5=CC=NC=C5)=CC=C4)C=C2)C=N1
InChIKey
HEAGNKNMQVIVMM-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Mode of action
Inhibitor
Negative control
MU140
Affinity biochemical assay type
Biochemical activity assay (Reaction Biology)
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
NanoBRET assay (in HEK293T cells)
Affinity on-target cellular source knowledge
Selectivity platform
Eurofins kinase panel
Selectivity platform number of targets
210
Selectivity remarks
Screened at 1 µM, closest targets as % of activity: HIPK2 (99%), HIPK3 (94%), GSK3A (90%); Eurofins binding assay: IC50(HIPK1) = 187 nM, IC50(HIPK2) = 23 nM, IC50(CLK3) >3 µM; In-cellular potency (NanoBRET assay in HEK293T cells): Ki(HIPK2) >10 µM, Ki(HIPK4) = 5.41 µM
Selectivity Source Knowledge
Compound image 
MU1210
Protein Kinase
CLK2
IC50 = 20
Ki = 91
Kinase set
1 µM
Compound EUbOPEN ID
EUB0000008b
SMILES
CN1C=C(C2=NC3=C(OC=C3C4=CC(C5=CC=NC=C5)=CC=C4)C=C2)C=N1
InChIKey
HEAGNKNMQVIVMM-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Mode of action
Inhibitor
Negative control
MU140
Affinity biochemical assay type
Biochemical activity assay (Reaction Biology)
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
NanoBRET assay (in HEK293T cells)
Affinity on-target cellular source knowledge
Selectivity platform
Eurofins kinase panel
Selectivity platform number of targets
210
Selectivity remarks
Screened at 1 µM, closest targets as % of activity: HIPK2 (99%), HIPK3 (94%), GSK3A (90%); Eurofins binding assay: IC50(HIPK1) = 187 nM, IC50(HIPK2) = 23 nM, IC50(CLK3) >3 µM; In-cellular potency (NanoBRET assay in HEK293T cells): Ki(HIPK2) >10 µM, Ki(HIPK4) = 5.41 µM
Selectivity Source Knowledge
Compound image 
MU1210
Protein Kinase
CLK4
IC50 = 12
Ki = 23
Kinase set
1 µM
Compound EUbOPEN ID
EUB0000008b
SMILES
CN1C=C(C2=NC3=C(OC=C3C4=CC(C5=CC=NC=C5)=CC=C4)C=C2)C=N1
InChIKey
HEAGNKNMQVIVMM-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Mode of action
Inhibitor
Negative control
MU140
Affinity biochemical assay type
Eurofins radiometric assay
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
NanoBRET assay (in HEK293T cells)
Affinity on-target cellular source knowledge
Selectivity platform
Eurofins kinase panel
Selectivity platform number of targets
210
Selectivity remarks
Screened at 1 µM, closest targets as % of activity: HIPK2 (99%), HIPK3 (94%), GSK3A (90%); Eurofins binding assay: IC50(HIPK1) = 187 nM, IC50(HIPK2) = 23 nM, IC50(CLK3) >3 µM; In-cellular potency (NanoBRET assay in HEK293T cells): Ki(HIPK2) >10 µM, Ki(HIPK4) = 5.41 µM
Selectivity Source Knowledge
Compound image 
MU140
Protein Kinase
CLK1
Negative Control
Kinase set
1 µM
Compound EUbOPEN ID
EUB0000009b
SMILES
Cn1cc(-c2ccc3occ(-c4ccccc4-c4ccccc4)c3n2)cn1
InChIKey
QSBNKGGRYOLZND-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Mode of action
Negative control for MU1210
Affinity Biochemical Source Knowledge
Compound image 
MU140
Protein Kinase
CLK2
Negative Control
Kinase set
1 µM
Compound EUbOPEN ID
EUB0000009b
SMILES
Cn1cc(-c2ccc3occ(-c4ccccc4-c4ccccc4)c3n2)cn1
InChIKey
QSBNKGGRYOLZND-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Mode of action
Negative control for MU1210
Affinity Biochemical Source Knowledge
Compound image 
MU140
Protein Kinase
CLK4
Negative Control
Kinase set
1 µM
Compound EUbOPEN ID
EUB0000009b
SMILES
Cn1cc(-c2ccc3occ(-c4ccccc4-c4ccccc4)c3n2)cn1
InChIKey
QSBNKGGRYOLZND-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Mode of action
Negative control for MU1210
Affinity Biochemical Source Knowledge
Compound image 
YM-201636
lipid-kinase
PIKFYVE
IC50 = 33
Kinase set
1 µM
Compound EUbOPEN ID
EUB0000014b
SMILES
O=C(C1=CC=C(N)N=C1)NC2=CC(C3=NC4=C(OC5=C4C=CC=N5)C(N6CCOCC6)=N3)=CC=C2
InChIKey
YBPIBGNBHHGLEB-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
CFD, FAB1, HEL37, PIP5K, PIP5K3, ZFYVE29
Mode of action
Inhibitor
Affinity biochemical assay type
Radiometric assay (50 µM ATP)
Affinity Biochemical Source Knowledge
Selectivity platform
KinomeScan (DiscoverX)
Selectivity platform number of targets
448
Selectivity remarks
Screened at 1 µM, closest target as % of contr. PIK3CB (9.8%); Selective over PI3P, PI4P, PI34P, PI45P at 800 nM (radiolabel incorporation assay in NIH3T3 cells)
Selectivity Source Knowledge
Compound image 
MS023
HMT
PRMT1@Methyltransferase
IC50 = 30
IC50 = 9
Epigenetic set
1 µM
Compound EUbOPEN ID
EUB0000034d
SMILES
CC(C)Oc1ccc(-c2c[nH]cc2CN(C)CCN)cc1
InChIKey
FMTVWAGUJRUAKE-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
HCP1, ANM1
Mode of action
Inhibitor
Negative control
MS094
Affinity biochemical assay type
Scintillation proximity assay (SPA)
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
Western Blot (inhibition of PRMT1 methyltransferase activity in MCF7 cells)
Selectivity platform
Methyltransferase panel, literature
Selectivity platform number of targets
25
Selectivity remarks
Screened at 1 µM and 10 µM, highly selective within methyltransferase family; Selective over 9 reader proteins (UHRF1, BRPF1, WDR5, HGDF2, TDRD3, RBBP1, FXR1, EED, and SND1) in DSF assays: all enzymes dTm <2 K;
Selectivity Source Knowledge
Compound image 
MS023
HMT
PRMT3@Methyltransferase
IC50 = 119
IC50 = 1000
Epigenetic set
1 µM
Compound EUbOPEN ID
EUB0000034d
SMILES
CC(C)Oc1ccc(-c2c[nH]cc2CN(C)CCN)cc1
InChIKey
FMTVWAGUJRUAKE-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Mode of action
Inhibitor
Negative control
MS094
Affinity biochemical assay type
Scintillation proximity assay (SPA)
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
Western Blot (inhibition of PRMT3 methyltransferase activity in MCF7 cells)
Selectivity platform
Methyltransferase panel, literature
Selectivity platform number of targets
25
Selectivity remarks
Screened at 1 µM and 10 µM, highly selective within methyltransferase family; Selective over 9 reader proteins (UHRF1, BRPF1, WDR5, HGDF2, TDRD3, RBBP1, FXR1, EED, and SND1) in DSF assays: all enzymes dTm <2 K;
Selectivity Source Knowledge
Compound image 
MS023
HMT
CARM1@Methyltransferase
IC50 = 83
Epigenetic set
1 µM
Compound EUbOPEN ID
EUB0000034d
SMILES
CC(C)Oc1ccc(-c2c[nH]cc2CN(C)CCN)cc1
InChIKey
FMTVWAGUJRUAKE-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
PRMT4
Mode of action
Inhibitor
Negative control
MS094
Affinity biochemical assay type
Scintillation proximity assay (SPA)
Affinity Biochemical Source Knowledge
Selectivity platform
Methyltransferase panel, literature
Selectivity platform number of targets
25
Selectivity remarks
Screened at 1 µM and 10 µM, highly selective within methyltransferase family; Selective over 9 reader proteins (UHRF1, BRPF1, WDR5, HGDF2, TDRD3, RBBP1, FXR1, EED, and SND1) in DSF assays: all enzymes dTm <2 K;
Selectivity Source Knowledge
Compound image 
MS023
HMT
PRMT6@Methyltransferase
IC50 = 4
IC50 = 56
Epigenetic set
1 µM
Compound EUbOPEN ID
EUB0000034d
SMILES
CC(C)Oc1ccc(-c2c[nH]cc2CN(C)CCN)cc1
InChIKey
FMTVWAGUJRUAKE-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
FLJ10559
Mode of action
Inhibitor
Negative control
MS094
Affinity biochemical assay type
Scintillation proximity assay (SPA)
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
Western Blot (inhibition of PRMT6 methyltransferase activity in HEK293 cells)
Selectivity platform
Methyltransferase panel, literature
Selectivity platform number of targets
25
Selectivity remarks
Screened at 1 µM and 10 µM, highly selective within methyltransferase family; Selective over 9 reader proteins (UHRF1, BRPF1, WDR5, HGDF2, TDRD3, RBBP1, FXR1, EED, and SND1) in DSF assays: all enzymes dTm <2 K;
Selectivity Source Knowledge
Compound image 
MS023
HMT
PRMT8@Methyltransferase
IC50 = 5
Epigenetic set
1 µM
Compound EUbOPEN ID
EUB0000034d
SMILES
CC(C)Oc1ccc(-c2c[nH]cc2CN(C)CCN)cc1
InChIKey
FMTVWAGUJRUAKE-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Mode of action
Inhibitor
Negative control
MS094
Affinity biochemical assay type
Scintillation proximity assay (SPA)
Affinity Biochemical Source Knowledge
Selectivity platform
Methyltransferase panel, literature
Selectivity platform number of targets
25
Selectivity remarks
Screened at 1 µM and 10 µM, highly selective within methyltransferase family; Selective over 9 reader proteins (UHRF1, BRPF1, WDR5, HGDF2, TDRD3, RBBP1, FXR1, EED, and SND1) in DSF assays: all enzymes dTm <2 K;
Selectivity Source Knowledge
Compound image 
T0901317
Nuclear-receptor
NR1H3
EC50 = 370
NR
Compound EUbOPEN ID
EUB0000040b
SMILES
C1=CC=C(C=C1)S(=O)(=O)N(CC(F)(F)F)C2=CC=C(C=C2)C(C(F)(F)F)(C(F)(F)F)O
InChIKey
SGIWFELWJPNFDH-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
LXR-a, RLD-1, LXRa
Mode of action
Agonist
Affinity on-target cellular assay type
cell-based
Selectivity platform
literature; in house
Selectivity remarks
IC50 at 2600 nM for RORA, IC50 at >5000 nM for NR1F2, EC50 at 1300 nM for NR1H4; inactive at 1 µM for VDR, NR1I3, VP16 and RXRA
Compound image 
T0901317
Nuclear-receptor
NR1I2
EC50 = 36
NR
Compound EUbOPEN ID
EUB0000040b
SMILES
C1=CC=C(C=C1)S(=O)(=O)N(CC(F)(F)F)C2=CC=C(C=C2)C(C(F)(F)F)(C(F)(F)F)O
InChIKey
SGIWFELWJPNFDH-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
ONR1, PXR, BXR, SXR, PAR2
Mode of action
Agonist
Affinity on-target cellular assay type
cell-based
Selectivity platform
literature; in house
Selectivity remarks
IC50 at 2600 nM for RORA, IC50 at >5000 nM for NR1F2, EC50 at 1300 nM for NR1H4; inactive at 1 µM for VDR, NR1I3, VP16 and RXRA
Compound image 
T0901317
Nuclear-receptor
RORC
IC50 = 460
NR
Compound EUbOPEN ID
EUB0000040b
SMILES
C1=CC=C(C=C1)S(=O)(=O)N(CC(F)(F)F)C2=CC=C(C=C2)C(C(F)(F)F)(C(F)(F)F)O
InChIKey
SGIWFELWJPNFDH-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
RZRG, RORG, NR1F3, TOR
Mode of action
Inverse Agonist
Affinity on-target cellular assay type
cell-based
Selectivity platform
literature; in house
Selectivity remarks
IC50 at 2600 nM for RORA, IC50 at >5000 nM for NR1F2, EC50 at 1300 nM for NR1H4; inactive at 1 µM for VDR, NR1I3, VP16 and RXRA
Compound image 
T0901317
Nuclear-receptor
NR1H2
EC50 = 160
NR
Compound EUbOPEN ID
EUB0000040b
SMILES
C1=CC=C(C=C1)S(=O)(=O)N(CC(F)(F)F)C2=CC=C(C=C2)C(C(F)(F)F)(C(F)(F)F)O
InChIKey
SGIWFELWJPNFDH-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
NER, NER-I, RIP15, LXR-b, LXRb
Mode of action
Agonist
Affinity on-target cellular assay type
cell-based
Selectivity platform
literature; in house
Selectivity remarks
IC50 at 2600 nM for RORA, IC50 at >5000 nM for NR1F2, EC50 at 1300 nM for NR1H4; inactive at 1 µM for VDR, NR1I3, VP16 and RXRA
Compound image 
Vactosertib
Protein Kinase
ACVR1B
IC50 = 17.2
Kinase set
100 nM
Compound EUbOPEN ID
EUB0000041b
SMILES
Cc1cccc(-c2[nH]c(CNc3ccccc3F)nc2-c2ccc3ncnn3c2)n1
InChIKey
FJCDSQATIJKQKA-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
ALK4, SKR2, ActRIB
Mode of action
Inhibitor
Affinity biochemical assay type
Radiometric protein kinase assay (33PanQinase Activity Assay)
Affinity Biochemical Source Knowledge
Selectivity platform
Kinase panel (radiometric 33ProQinase Activity Assays, singlicates, ProQinase)
Selectivity platform number of targets
320
Selectivity remarks
Screened at 1 µM, closest targets as % residual activity: RIPK2 (7%), VEGFR2 (11%), MINK1 (21%), VEGFR3 (28%), VEGFR1 (38%), MAP4K4 (41%), PDGFRA(V561D) (43%), PDGFRA (47%), TGFBR2 (47%); In-vitro follow-up of closest targets (radioisotopic protein kinase assay, 33PanQinase activity assay): IC50(RIPK2) = 54 nM, IC50(VEGFR2) = 97 nM (https://pubs.acs.org/doi/10.1021/jm500115w); Selectivity within ALK family (Radioisotopic protein kinase assay, HotSpot assay, Reaction Biology): IC50(ALK1) >10 µM, IC50(ALK2) >10 µM, IC50(ALK3) >10 µM, IC50(ALK4) = 0.013 µM, IC50(ALK5) = 0.011 µM, IC50(ALK6) >10 µM, IC50(ALK7) n.d. (https://pubs.acs.org/doi/10.1021/jm500115w);
Selectivity Source Knowledge
Compound image 
Vactosertib
Protein Kinase
TGFBR1
IC50 = 12.9
IC50 = 41
Kinase set
100 nM
Compound EUbOPEN ID
EUB0000041b
SMILES
Cc1cccc(-c2[nH]c(CNc3ccccc3F)nc2-c2ccc3ncnn3c2)n1
InChIKey
FJCDSQATIJKQKA-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
ALK-5, ACVRLK4, ALK5, TBRI, TBR-i
Mode of action
Inhibitor
Affinity biochemical assay type
Radiometric protein kinase assay (33PanQinase Activity Assay)
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
Cell-based Luciferase assay (ALK5 inhibition in HaCaT cells permanently transfected with p3TO-luciferase reporter construct)
Affinity on-target cellular source knowledge
Selectivity platform
Kinase panel (radiometric 33ProQinase Activity Assays, singlicates, ProQinase)
Selectivity platform number of targets
320
Selectivity remarks
Screened at 1 µM, closest targets as % residual activity: RIPK2 (7%), VEGFR2 (11%), MINK1 (21%), VEGFR3 (28%), VEGFR1 (38%), MAP4K4 (41%), PDGFRA(V561D) (43%), PDGFRA (47%), TGFBR2 (47%); In-vitro follow-up of closest targets (radioisotopic protein kinase assay, 33PanQinase activity assay): IC50(RIPK2) = 54 nM, IC50(VEGFR2) = 97 nM (https://pubs.acs.org/doi/10.1021/jm500115w); Selectivity within ALK family (Radioisotopic protein kinase assay, HotSpot assay, Reaction Biology): IC50(ALK1) >10 µM, IC50(ALK2) >10 µM, IC50(ALK3) >10 µM, IC50(ALK4) = 0.013 µM, IC50(ALK5) = 0.011 µM, IC50(ALK6) >10 µM, IC50(ALK7) n.d. (https://pubs.acs.org/doi/10.1021/jm500115w);
Selectivity Source Knowledge
Compound image 
BMX-IN-1
Protein Kinase
BMX
IC50 = 8
IC50 = 138
Kinase set
1 µM
Compound EUbOPEN ID
EUB0000045b
SMILES
CC1=C(C=C(C=C1)N2C(=O)C=CC3=CN=C4C=CC(=CC4=C32)C5=CC=C(C=C5)NS(=O)(=O)C)NC(=O)C=C
InChIKey
SFMJNHNUOVADRW-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
ETK, PSCTK3
Mode of action
Covalent inhibitor
Affinity biochemical assay type
SelectScreen Z’lyte assay (Invitrogen)
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
BMX IP kinase assay in HEK293 cells
Affinity on-target cellular source knowledge
Selectivity platform
KinomeScan (DiscoverX)
Selectivity platform number of targets
442
Selectivity remarks
Screened at 1 µM, S(10) = 0.01, closest targets as % of contr.: JAK3 (6.6%), PIP3CG (2.8%), PIP5K2C (5.6%), SBK1 (4.6%);
Selectivity Source Knowledge
Compound image 
BMX-IN-1
Protein Kinase
BTK
IC50 = 10.4
Kinase set
1 µM
Compound EUbOPEN ID
EUB0000045b
SMILES
CC1=C(C=C(C=C1)N2C(=O)C=CC3=CN=C4C=CC(=CC4=C32)C5=CC=C(C=C5)NS(=O)(=O)C)NC(=O)C=C
InChIKey
SFMJNHNUOVADRW-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
ATK, XLA, PSCTK1
Mode of action
Covalent inhibitor
Affinity biochemical assay type
SelectScreen Z’lyte assay (Invitrogen)
Affinity Biochemical Source Knowledge
Selectivity platform
KinomeScan (DiscoverX)
Selectivity platform number of targets
442
Selectivity remarks
Screened at 1 µM, S(10) = 0.01, closest targets as % of contr.: JAK3 (6.6%), PIP3CG (2.8%), PIP5K2C (5.6%), SBK1 (4.6%);
Selectivity Source Knowledge
Compound image 
Pictilisib (GDC-0941)
Protein Kinase
PIK3CA
Kd = 0.76
Kinase set
1 µM
Compound EUbOPEN ID
EUB0000049b
SMILES
CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1
InChIKey
LHNIIDJUOCFXAP-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
PI3K
Mode of action
Inhibitor
Affinity biochemical assay type
ScanMax technology (DiscoverX)
Affinity Biochemical Source Knowledge
Selectivity platform
KinomeScan (DiscoverX)
Selectivity platform number of targets
468
Selectivity remarks
Screened at 10 µM, closest targets as % of contr.: CLK2 (25%), PIK3C2G (27%); Kd(mTOR) = 48 nM, Kd(PI3KC2b) = 40 nM (Kds by DiscoverX, PMID:28829592)
Selectivity Source Knowledge
Compound image 
Pictilisib (GDC-0941)
Protein Kinase
PIK3CB
Kd = 2.1
Kinase set
1 µM
Compound EUbOPEN ID
EUB0000049b
SMILES
CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1
InChIKey
LHNIIDJUOCFXAP-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Mode of action
Inhibitor
Affinity biochemical assay type
ScanMax technology (DiscoverX)
Affinity Biochemical Source Knowledge
Selectivity platform
KinomeScan (DiscoverX)
Selectivity platform number of targets
468
Selectivity remarks
Screened at 10 µM, closest targets as % of contr.: CLK2 (25%), PIK3C2G (27%); Kd(mTOR) = 48 nM, Kd(PI3KC2b) = 40 nM (Kds by DiscoverX, PMID:28829592)
Selectivity Source Knowledge
Compound image 
Pictilisib (GDC-0941)
Protein Kinase
PIK3CG
Kd = 7.7
Kinase set
1 µM
Compound EUbOPEN ID
EUB0000049b
SMILES
CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1
InChIKey
LHNIIDJUOCFXAP-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Mode of action
Inhibitor
Affinity biochemical assay type
ScanMax technology (DiscoverX)
Affinity Biochemical Source Knowledge
Selectivity platform
KinomeScan (DiscoverX)
Selectivity platform number of targets
468
Selectivity remarks
Screened at 10 µM, closest targets as % of contr.: CLK2 (25%), PIK3C2G (27%); Kd(mTOR) = 48 nM, Kd(PI3KC2b) = 40 nM (Kds by DiscoverX, PMID:28829592)
Selectivity Source Knowledge
Compound image 
Pictilisib (GDC-0941)
Protein Kinase
PIK3CD
Kd = 3.3
Kinase set
1 µM
Compound EUbOPEN ID
EUB0000049b
SMILES
CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1
InChIKey
LHNIIDJUOCFXAP-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
p110D
Mode of action
Inhibitor
Affinity biochemical assay type
ScanMax technology (DiscoverX)
Affinity Biochemical Source Knowledge
Selectivity platform
KinomeScan (DiscoverX)
Selectivity platform number of targets
468
Selectivity remarks
Screened at 10 µM, closest targets as % of contr.: CLK2 (25%), PIK3C2G (27%); Kd(mTOR) = 48 nM, Kd(PI3KC2b) = 40 nM (Kds by DiscoverX, PMID:28829592)
Selectivity Source Knowledge
Compound image 
PF 3644022
Protein Kinase
MAPKAPK2
IC50 = 5
IC50 = 201
Kinase set
1 µM
Compound EUbOPEN ID
EUB0000056c
SMILES
O=C(N[C@H](C)CN4)C3=C4C1=C(S3)C=CC2=C1C=CC(C5=CC=C(C)N=C5)=N2
InChIKey
CMWRPDHVGMHLSZ-GFCCVEGCSA-N
NCBI gene ID
UniProt ID
Synonyms
MK2
Mode of action
Inhibitor
Affinity biochemical assay type
Enzymatic activity assay (Ustate kinase profiler Service; Millipore)
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
Western Blot (phosphorylation of the MK2 substrate HSP27 in U937 cells)
Selectivity platform
Upstate Kinase Profiler service (Millipore)
Selectivity platform number of targets
170
Selectivity remarks
Screened at 1 µM, closest targets: IC50(AMPK) = 117 nM, IC50(BRSK1) = 187 nM, IC50(BRSK2) = 90 nM, IC50(CAMK2B) = 70 nM, IC50(DRAK1) = 71 nM, IC50(MNK2) = 148 nM, IC50(PHKG2) = 528 nM , IC50(PIM1) = 88 nM ,IC50(CDK1) = 354 nM, IC50(CDK5) = 902 nM, IC50(MAP3K5) = 60 nM, IC50(AXL) = 428 nM, IC50(MERTK) = 76 nM, IC50(RIPK2) = 590 nM;
Selectivity Source Knowledge
Compound image 
PF 3644022
Protein Kinase
MAPKAPK3
IC50 = 53
Kinase set
1 µM
Compound EUbOPEN ID
EUB0000056c
SMILES
O=C(N[C@H](C)CN4)C3=C4C1=C(S3)C=CC2=C1C=CC(C5=CC=C(C)N=C5)=N2
InChIKey
CMWRPDHVGMHLSZ-GFCCVEGCSA-N
NCBI gene ID
UniProt ID
Synonyms
3pK, MAPKAP3, 3PK, MK-3, MK3
Mode of action
Inhibitor
Affinity biochemical assay type
Enzymatic activity assay (Ustate kinase profiler Service; Millipore)
Affinity Biochemical Source Knowledge
Selectivity platform
Upstate Kinase Profiler service (Millipore)
Selectivity platform number of targets
170
Selectivity remarks
Screened at 1 µM, closest targets: IC50(AMPK) = 117 nM, IC50(BRSK1) = 187 nM, IC50(BRSK2) = 90 nM, IC50(CAMK2B) = 70 nM, IC50(DRAK1) = 71 nM, IC50(MNK2) = 148 nM, IC50(PHKG2) = 528 nM , IC50(PIM1) = 88 nM ,IC50(CDK1) = 354 nM, IC50(CDK5) = 902 nM, IC50(MAP3K5) = 60 nM, IC50(AXL) = 428 nM, IC50(MERTK) = 76 nM, IC50(RIPK2) = 590 nM;
Selectivity Source Knowledge
Compound image 
PF 3644022
Protein Kinase
MAPKAPK5
IC50 = 5
Kinase set
1 µM
Compound EUbOPEN ID
EUB0000056c
SMILES
O=C(N[C@H](C)CN4)C3=C4C1=C(S3)C=CC2=C1C=CC(C5=CC=C(C)N=C5)=N2
InChIKey
CMWRPDHVGMHLSZ-GFCCVEGCSA-N
NCBI gene ID
UniProt ID
Synonyms
PRAK, MK5
Mode of action
Inhibitor
Affinity biochemical assay type
Enzymatic activity assay (Ustate kinase profiler Service; Millipore)
Affinity Biochemical Source Knowledge
Selectivity platform
Upstate Kinase Profiler service (Millipore)
Selectivity platform number of targets
170
Selectivity remarks
Screened at 1 µM, closest targets: IC50(AMPK) = 117 nM, IC50(BRSK1) = 187 nM, IC50(BRSK2) = 90 nM, IC50(CAMK2B) = 70 nM, IC50(DRAK1) = 71 nM, IC50(MNK2) = 148 nM, IC50(PHKG2) = 528 nM , IC50(PIM1) = 88 nM ,IC50(CDK1) = 354 nM, IC50(CDK5) = 902 nM, IC50(MAP3K5) = 60 nM, IC50(AXL) = 428 nM, IC50(MERTK) = 76 nM, IC50(RIPK2) = 590 nM;
Selectivity Source Knowledge
Compound image 
THZ531
Protein Kinase
CDK13
IC50 = 69
Kinase set
1 µM
Compound EUbOPEN ID
EUB0000090b
SMILES
CN(C)C/C=C/C(=O)Nc1ccc(C(=O)N2CCCC(Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)C2)cc1
InChIKey
RUBYHLPRZRMTJO-UXBLZVDNSA-N
NCBI gene ID
UniProt ID
Synonyms
CHED, CDC2L, KIAA1791
Mode of action
Covalent inhibitor
Affinity biochemical assay type
Radiometric kinase assay
Affinity Biochemical Source Knowledge
Selectivity platform
Ambit KINOMEscanand KiNATiv profiling in Jurkat cells
Selectivity platform number of targets
211
Selectivity remarks
Screened at 1 µM, closest targets AURKA (54%), PLK(53%), CLK1(43%), all IC50 >3.5 µM, In-vitro potency of closest target (Radiometric kinase assay ): Kd(CDK12) = 158 nM, https://www.nature.com/articles/nchembio.2166;
Selectivity Source Knowledge
Compound image 
I-BET151 (GSK1210151A)
Bromodomain
BRD2
IC50 = 500
Epigenetic set
1 µM
Compound EUbOPEN ID
EUB0000102c
SMILES
COc1cc2c(cc1-c1c(C)noc1C)ncc1nc(O)n([C@H](C)c3ccccn3)c12
InChIKey
VUVUVNZRUGEAHB-CYBMUJFWSA-N
NCBI gene ID
UniProt ID
Synonyms
KIAA9001, RING3, D6S113E, NAT, FSRG1
Mode of action
Inhibitor
Affinity biochemical assay type
FP ligand displacement assays
Affinity Biochemical Source Knowledge
Selectivity platform
Bromodomain panel (DSF assays, literature)
Selectivity platform number of targets
26
Selectivity remarks
Screened at 100 µM in DSF assay, closest target: dTm(CEREBBP) = 1-3 K; Screened in CEREP panel against 50 GPCRs, ion channels and transporters at 10 µM, closest target as % inhibition: NK2 (48%)
Selectivity Source Knowledge
Compound image 
I-BET151 (GSK1210151A)
Bromodomain
BRD3
IC50 = 250
Epigenetic set
1 µM
Compound EUbOPEN ID
EUB0000102c
SMILES
COc1cc2c(cc1-c1c(C)noc1C)ncc1nc(O)n([C@H](C)c3ccccn3)c12
InChIKey
VUVUVNZRUGEAHB-CYBMUJFWSA-N
NCBI gene ID
UniProt ID
Synonyms
RING3L, ORFX, KIAA0043
Mode of action
Inhibitor
Affinity biochemical assay type
FP ligand displacement assays
Affinity Biochemical Source Knowledge
Selectivity platform
Bromodomain panel (DSF assays, literature)
Selectivity platform number of targets
26
Selectivity remarks
Screened at 100 µM in DSF assay, closest target: dTm(CEREBBP) = 1-3 K; Screened in CEREP panel against 50 GPCRs, ion channels and transporters at 10 µM, closest target as % inhibition: NK2 (48%)
Selectivity Source Knowledge
Compound image 
I-BET151 (GSK1210151A)
Bromodomain
BRD4
IC50 = 790
Epigenetic set
1 µM
Compound EUbOPEN ID
EUB0000102c
SMILES
COc1cc2c(cc1-c1c(C)noc1C)ncc1nc(O)n([C@H](C)c3ccccn3)c12
InChIKey
VUVUVNZRUGEAHB-CYBMUJFWSA-N
NCBI gene ID
UniProt ID
Synonyms
HUNKI, MCAP, CAP, HUNK1
Mode of action
Inhibitor
Affinity biochemical assay type
FP ligand displacement assays
Affinity Biochemical Source Knowledge
Selectivity platform
Bromodomain panel (DSF assays, literature)
Selectivity platform number of targets
26
Selectivity remarks
Screened at 100 µM in DSF assay, closest target: dTm(CEREBBP) = 1-3 K; Screened in CEREP panel against 50 GPCRs, ion channels and transporters at 10 µM, closest target as % inhibition: NK2 (48%)
Selectivity Source Knowledge
Compound image 
I-BET151 (GSK1210151A)
Bromodomain
BRDT
Epigenetic set
1 µM
Compound EUbOPEN ID
EUB0000102c
SMILES
COc1cc2c(cc1-c1c(C)noc1C)ncc1nc(O)n([C@H](C)c3ccccn3)c12
InChIKey
VUVUVNZRUGEAHB-CYBMUJFWSA-N
NCBI gene ID
UniProt ID
Synonyms
BRD6, CT9
Mode of action
Inhibitor
Selectivity platform
Bromodomain panel (DSF assays, literature)
Selectivity platform number of targets
26
Selectivity remarks
Screened at 100 µM in DSF assay, closest target: dTm(CEREBBP) = 1-3 K; Screened in CEREP panel against 50 GPCRs, ion channels and transporters at 10 µM, closest target as % inhibition: NK2 (48%)
Selectivity Source Knowledge
Compound image 
MS049 hydrochloride
HMT
CARM1@Methyltransferase
IC50 = 34
IC50 = 1400
Epigenetic set
1 µM
Compound EUbOPEN ID
EUB0000103c
SMILES
CNCCN1CCC(OCc2ccccc2)CC1
InChIKey
HBOJWAYLSJLULG-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
PRMT4
Mode of action
Inhibitor
Negative control
MS049N
Affinity biochemical assay type
Biochemical assay (measuring transfer of the methyl group from 3H-SAM to the peptide substrates)
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
Western Blot (PRMT4 dependent cellular asymmetric arginine dimethylation of Med12 (Med12-Rme2a) in HEK293 cells)
Selectivity platform
Methyltransferase panel, literature
Selectivity platform number of targets
25
Selectivity remarks
Screened at 10 µM and 50 µM: MS049 is highly selective and showed no inhibition of any enzyme in the panel; Screened in CEREP panel against 100 enzymes (GPCRs, ion channels, transporters, kinases) at 10 µM, clean profile; Screened against 45 GPCR targets (PDSP screen) at 10 µM, closest targets (radioligand binding assays): Ki(H3) = 87 nM, Ki(Sigma 1) = 64 nM, Ki(Sigma 2) = 574 nM;
Selectivity Source Knowledge
Compound image 
MS049 hydrochloride
HMT
PRMT6@Methyltransferase
IC50 = 43
IC50 = 970
Epigenetic set
1 µM
Compound EUbOPEN ID
EUB0000103c
SMILES
CNCCN1CCC(OCc2ccccc2)CC1
InChIKey
HBOJWAYLSJLULG-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
FLJ10559
Mode of action
Inhibitor
Negative control
MS049N
Affinity biochemical assay type
Biochemical assay (measuring transfer of the methyl group from 3H-SAM to the peptide substrates)
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
Western Blot (PRMT6 dependent asymmetric dimethylation of histone H3 arginine 2 (H3R2me2a) in HEK293 cells)
Selectivity platform
Methyltransferase panel, literature
Selectivity platform number of targets
25
Selectivity remarks
Screened at 10 µM and 50 µM: MS049 is highly selective and showed no inhibition of any enzyme in the panel; Screened in CEREP panel against 100 enzymes (GPCRs, ion channels, transporters, kinases) at 10 µM, clean profile; Screened against 45 GPCR targets (PDSP screen) at 10 µM, closest targets (radioligand binding assays): Ki(H3) = 87 nM, Ki(Sigma 1) = 64 nM, Ki(Sigma 2) = 574 nM;
Selectivity Source Knowledge
Compound image 
ICG-001
Apoptosis regulator
CTNNB1
IC50 = 3000
Other targets
1 µM
Compound EUbOPEN ID
EUB0000116c
SMILES
O=C1[C@H](Cc2ccc(O)cc2)N2C(=O)CCN(C(=O)NCc3ccccc3)[C@H]2CN1Cc1cccc2ccccc12
InChIKey
HQWTUOLCGKIECB-XZWHSSHBSA-N
NCBI gene ID
UniProt ID
Synonyms
CTNNB, MRD19, EVR7
Mode of action
Inhibitor
Affinity on-target cellular assay type
TOPFLASH reporter assay (using SW480 colon carcinoma cells)
Affinity on-target cellular source knowledge
Selectivity remarks
No inhibition of AP-1 and CRE (IC50 >100 µM, TOPFLASH reporter assay); no interaction with the beta-catenin transcriptional coactivator p300.
Compound image 
XMD8-92
Protein Kinase
MAPK7
KD = 80
IC50 = 1500
Kinase set
1 µM
Compound EUbOPEN ID
EUB0000122b
SMILES
OC1CCN(C2=CC(OCC)=C(NC3=NC=C(N(C)C(C(C=CC=C4)=C4N5C)=O)C5=N3)C=C2)CC1
InChIKey
QAPAJIZPZGWAND-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
BMK1, ERK5
Mode of action
Inhibitor
Affinity biochemical assay type
ATP-binding displacement assay
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
KiNativ assay (HeLa cell lysate)
Selectivity platform
Kinase panel, literature
Selectivity platform number of targets
402
Selectivity remarks
Screened at 10 µM, ATP-site competition binding assay, S(10) = 0.012, closest targets: Kd(BMK1) = 80 nM, Kd(DCAMKL2) = 190 nM, Kd(TNK1) = 890 nM, Kd(PLK4) = 600 nM; Cellular selectivity profiling using KiNativ method against 181 kinases in HeLa cells, closest targets: IC50(TNK1/2) = 10/ 18 µM, IC50(RSK1/2) = 29/ 47 µM, IC50(FAK) = 39 µM, IC50(PIK4CA/L) = 36 µM, others >50 µM;
Selectivity Source Knowledge
Compound image 
Trametinib
Protein Kinase
MAP2K1
IC50 = 1.8
Kinase set
100 nM
Compound EUbOPEN ID
EUB0000124b
SMILES
CC(NC1=CC(N2C(C(C(N(C3CC3)C2=O)=O)=C(NC4=CC=C(I)C=C4F)N5C)=C(C)C5=O)=CC=C1)=O
InChIKey
LIRYPHYGHXZJBZ-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
MEK1, MAPKK1
Mode of action
Inhibitor
Affinity biochemical assay type
ELISA (Raf-MEK-ERK cascade kinase assay, activated with c-Raf, 10 µM ATP)
Affinity Biochemical Source Knowledge
Selectivity platform
Millipor'e kinase profiler
Selectivity platform number of targets
99
Selectivity remarks
Screened at 10 µM, closest targets as % of contr.: NTRK1 (59%); Screened against 300 proteins in Kinobeads assays, in-vitro potencies of closest targets: Kdapp(BRD4) = 1915 nM, Kdapp(MAP2K1) = 62 nM, Kdapp(MAP2K2) = 9 nM (https://www.science.org/doi/10.1126/science.aan4368)
Selectivity Source Knowledge
Compound image 
Trametinib
Protein Kinase
MAP2K2
IC50 = 0.92
Kinase set
100 nM
Compound EUbOPEN ID
EUB0000124b
SMILES
CC(NC1=CC(N2C(C(C(N(C3CC3)C2=O)=O)=C(NC4=CC=C(I)C=C4F)N5C)=C(C)C5=O)=CC=C1)=O
InChIKey
LIRYPHYGHXZJBZ-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
MEK2
Mode of action
Inhibitor
Affinity biochemical assay type
ELISA (Raf-MEK-ERK cascade kinase assay, activated with c-Raf, 10 µM ATP)
Affinity Biochemical Source Knowledge
Selectivity platform
Millipor'e kinase profiler
Selectivity platform number of targets
99
Selectivity remarks
Screened at 10 µM, closest targets as % of contr.: NTRK1 (59%); Screened against 300 proteins in Kinobeads assays, in-vitro potencies of closest targets: Kdapp(BRD4) = 1915 nM, Kdapp(MAP2K1) = 62 nM, Kdapp(MAP2K2) = 9 nM (https://www.science.org/doi/10.1126/science.aan4368)
Selectivity Source Knowledge
Compound image 
Barasertib-HQPA
Protein Kinase
AURKB
Ki = 0.37
Kinase set
100 nM
Compound EUbOPEN ID
EUB0000125b
SMILES
CCN(CCCOC1=CC2=C(C=C1)C(=NC=N2)NC3=NNC(=C3)CC(=O)NC4=CC(=CC=C4)F)CCO
InChIKey
QYZOGCMHVIGURT-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
Aik2, IPL1, AurB, AIM-1, ARK2, STK5, PPP1R48
Mode of action
Active inhibitor of prodrug AZD1152
Affinity biochemical assay type
Enzymatic assay
Affinity Biochemical Source Knowledge
Selectivity platform
Kinase panel (DSF assay)
Selectivity platform number of targets
100
Selectivity remarks
Screened at 20 µM, closest targets with dTm >3K: dTm(AURKB) = 13.8 K, dTm(STK6) = 9.08 K, dTm(FLT1) = 4.33 K;
Selectivity Source Knowledge
Compound image 
Selumetinib
Protein Kinase
MAP2K1
Kd = 99
IC50 = 14
Kinase set
1 µM
Compound EUbOPEN ID
EUB0000129b
SMILES
CN(C=N1)C2=C1C(F)=C(NC3=CC=C(Br)C=C3Cl)C(C(NOCCO)=O)=C2
InChIKey
CYOHGALHFOKKQC-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
MEK1, MAPKK1
Mode of action
Inhibitor
Affinity biochemical assay type
Competition binding assay
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
Inhibition of MEK1 human HeLa-Ma Tu matched pair cells
Selectivity platform
Kinase panel, literature
Selectivity platform number of targets
442
Selectivity remarks
Kinases screened via competition binding assays: S(Kd < 300 nM) = 0.0026, S(Kd < 3µM) = 0.0052
Selectivity Source Knowledge
Compound image 
Selumetinib
Protein Kinase
MAP2K2
Kd = 530
Kinase set
1 µM
Compound EUbOPEN ID
EUB0000129b
SMILES
CN(C=N1)C2=C1C(F)=C(NC3=CC=C(Br)C=C3Cl)C(C(NOCCO)=O)=C2
InChIKey
CYOHGALHFOKKQC-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
MEK2
Mode of action
Inhibitor
Affinity biochemical assay type
Competition binding assay
Affinity Biochemical Source Knowledge
Selectivity platform
Kinase panel, literature
Selectivity platform number of targets
442
Selectivity remarks
Kinases screened via competition binding assays: S(Kd < 300 nM) = 0.0026, S(Kd < 3µM) = 0.0052
Selectivity Source Knowledge
Compound image 
MK-2206 2HCl
Protein Kinase
AKT1
IC50 = 8
Kinase set
1 µM
Compound EUbOPEN ID
EUB0000130bCl
SMILES
Cl.Cl.NC1(c2ccc(-c3nc4ccn5c(=O)[nH]nc5c4cc3-c3ccccc3)cc2)CCC1
InChIKey
HWUHTJIKQZZBRA-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
RAC, PKB, PRKBA, AKT, RAC-alpha
Mode of action
Allosteric inhibitor
Affinity biochemical assay type
Enzyme activity assay
Affinity Biochemical Source Knowledge
Selectivity platform
Kinase panel, literature
Selectivity platform number of targets
250
Selectivity remarks
Screened at 1 µM, highly selective allosteric inhibitor
Selectivity Source Knowledge
Compound image 
MK-2206 2HCl
Protein Kinase
AKT2
IC50 = 12
Kinase set
1 µM
Compound EUbOPEN ID
EUB0000130bCl
SMILES
Cl.Cl.NC1(c2ccc(-c3nc4ccn5c(=O)[nH]nc5c4cc3-c3ccccc3)cc2)CCC1
InChIKey
HWUHTJIKQZZBRA-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
PKBb
Mode of action
Allosteric inhibitor
Affinity biochemical assay type
Enzyme activity assay
Affinity Biochemical Source Knowledge
Selectivity platform
Kinase panel, literature
Selectivity platform number of targets
250
Selectivity remarks
Screened at 1 µM, highly selective allosteric inhibitor
Selectivity Source Knowledge
Compound image 
MK-2206 2HCl
Protein Kinase
AKT3
IC50 = 65
Kinase set
1 µM
Compound EUbOPEN ID
EUB0000130bCl
SMILES
Cl.Cl.NC1(c2ccc(-c3nc4ccn5c(=O)[nH]nc5c4cc3-c3ccccc3)cc2)CCC1
InChIKey
HWUHTJIKQZZBRA-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
PKBG, RAC-gamma, PRKBG
Mode of action
Allosteric inhibitor
Affinity biochemical assay type
Enzyme activity assay
Affinity Biochemical Source Knowledge
Selectivity platform
Kinase panel, literature
Selectivity platform number of targets
250
Selectivity remarks
Screened at 1 µM, highly selective allosteric inhibitor
Selectivity Source Knowledge
Compound image 
SR318
Protein Kinase
MAPK14
IC50 = 5
IC50 = 3.7
Kinase set
1 µM
Compound EUbOPEN ID
EUB0000132b
SMILES
Nc1c(C(=O)NCc2ccc(C(=O)NCCCC3CCCCC3)cc2)cnn1-c1ccccc1
InChIKey
HXNUFFCHRIWTRZ-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
PRKM14, p38, Mxi2, PRKM15
Mode of action
Inhibitor
Negative control
SR321
Affinity biochemical assay type
Radiometric activity assay (ProQinase)
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
NanoBRET assay (HEK293T cells)
Selectivity platform
KinomeScan (DiscoverX)
Selectivity platform number of targets
403
Selectivity remarks
Screened at 1 µM, closest targets in the screen: DDR1, DDR2, KIT, ZAK, RSK, MYLK4, but confirmed by NanoBRET as false positive (IC50s of 910-140000 nM)
Selectivity Source Knowledge
Compound image 
SR318
Protein Kinase
MAPK11
IC50 = 32
IC50 = 10
Kinase set
1 µM
Compound EUbOPEN ID
EUB0000132b
SMILES
Nc1c(C(=O)NCc2ccc(C(=O)NCCCC3CCCCC3)cc2)cnn1-c1ccccc1
InChIKey
HXNUFFCHRIWTRZ-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
p38-2, p38Beta, SAPK2
Mode of action
Inhibitor
Negative control
SR321
Affinity biochemical assay type
Radiometric activity assay (ProQinase)
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
NanoBRET assay (HEK293T cells)
Selectivity platform
KinomeScan (DiscoverX)
Selectivity platform number of targets
403
Selectivity remarks
Screened at 1 µM, closest targets in the screen: DDR1, DDR2, KIT, ZAK, RSK, MYLK4, but confirmed by NanoBRET as false positive (IC50s of 910-140000 nM)
Selectivity Source Knowledge
Compound image 
Alisertib
Protein Kinase
STK6
IC50 = 1.2
IC50 = 6.7
Kinase set
100 nM
Compound EUbOPEN ID
EUB0000133b
SMILES
COC1=C(C(=CC=C1)F)C2=NCC3=CN=C(N=C3C4=C2C=C(C=C4)Cl)NC5=CC(=C(C=C5)C(=O)O)OC
InChIKey
ZLHFILGSQDJULK-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
BTAK, AurA, STK7, ARK1, PPP1R47, AIK
Mode of action
Inhibitor
Affinity biochemical assay type
Radioactive Flashplate assay
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
Immunostaining (pThr288 autophosphorylation assay in HeLa cells)
Affinity on-target cellular source knowledge
Selectivity platform
SelectScreen kinase panel (Invitrogen)
Selectivity platform number of targets
205
Selectivity remarks
Screened at 1 µM, closest targets as % of inhibition: BLK (92%), CAMK2A (95%), EPHA2 (100%), EPHA4 (94%), FGFR2 (90%), FGR (97%), MAPKAPK3 (91%), NTRK3 (91%); Proteomics (Kinobeads assays), in-vitro potencies of closest targets: Kdapp(AURKA) = 5 nM, Kdapp(ACAD10) = 78 nM, Kdapp(AURKB) = 195 nM, Kdapp(PDPK1) = 289 nM, Kdapp(EPHA2) = 309 nM, Kdapp(EPHA4) = 455 nM, Kdapp(DNAJA1) = 962 nM, Kd(ABL2) = 1009 nM, Kdapp(GNAI2) = 184 nM, Kdapp(PSMA7) = 405 nM, Kdapp(MCM4) = 629 nM, https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6542668/;
Selectivity Source Knowledge
Compound image 
GSK429286A
Protein Kinase
ROCK1
IC50 = 14
Kinase set
1 µM
Compound EUbOPEN ID
EUB0000134b
SMILES
CC1=C(C(=O)Nc2cc3cn[nH]c3cc2F)C(c2ccc(C(F)(F)F)cc2)CC(=O)N1
InChIKey
OLIIUAHHAZEXEX-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
p160ROCK
Mode of action
Inhibitor
Affinity biochemical assay type
Scintillation Proximity Assay (SPA)
Affinity Biochemical Source Knowledge
Selectivity platform
KinomeScan
Selectivity platform number of targets
317
Selectivity remarks
Screened at 10 µM, closest targets as % contr.: JAK3(JH1 catalytic domain) (3.2%), PRKACA (4.2%), PRKACB (6.4%); Additionally screened against 85 kinase targets at 1 µM, closest target as % of contr.: RPS6KA2 (20%), PMID: 19740074;
Selectivity Source Knowledge
Compound image 
GSK429286A
Protein Kinase
ROCK2
IC50 = 63
Kinase set
1 µM
Compound EUbOPEN ID
EUB0000134b
SMILES
CC1=C(C(=O)Nc2cc3cn[nH]c3cc2F)C(c2ccc(C(F)(F)F)cc2)CC(=O)N1
InChIKey
OLIIUAHHAZEXEX-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Mode of action
Inhibitor
Affinity biochemical assay type
Enzymatic inhibition assay (100 µM ATP)
Affinity Biochemical Source Knowledge
Selectivity platform
KinomeScan
Selectivity platform number of targets
317
Selectivity remarks
Screened at 10 µM, closest targets as % contr.: JAK3(JH1 catalytic domain) (3.2%), PRKACA (4.2%), PRKACB (6.4%); Additionally screened against 85 kinase targets at 1 µM, closest target as % of contr.: RPS6KA2 (20%), PMID: 19740074;
Selectivity Source Knowledge
Compound image 
GDC-0879
Protein Kinase
BRAF
IC50 = 0.13
Kinase set
100 nM
Compound EUbOPEN ID
EUB0000135b
SMILES
OCCn1cc(-c2ccc3c(c2)CCC3=NO)c(-c2ccncc2)n1
InChIKey
DEZZLWQELQORIU-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
BRAF1
Mode of action
Inhibitor
Affinity biochemical assay type
Radiometric assay
Affinity Biochemical Source Knowledge
Selectivity platform
Kinase panel, literature
Selectivity platform number of targets
212
Selectivity remarks
Screened at 1 µM, closest target as % of contr.: RAF1 (8%)
Selectivity Source Knowledge
Compound image 
PF-04554878
Protein Kinase
PTK2
IC50 = 0.2
IC50 = 3
Kinase set
100 nM
Compound EUbOPEN ID
EUB0000138c
SMILES
CNC(C1=CC=C(NC2=NC=C(C(F)(F)F)C(NCC3=C(N(S(C)(=O)=O)C)N=CC=N3)=N2)C=C1)=O
InChIKey
FWLMVFUGMHIOAA-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
FAK, FADK, FAK1, PPP1R71
Mode of action
Inhibitor
Negative control
PF-00911705
Affinity biochemical assay type
Binding assay
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
Inhibition of human PTK2 phosphorylation in A431 cells
Selectivity platform
KinomeScan (DiscoverX)
Selectivity platform number of targets
448
Selectivity remarks
Screened at 0.1 µM, closest targets as % of contr.: CLK2 (0%), FLT3(N841I) (0%), FLT3(D835V) (0.2%), YSK4 (1.7%), JAK2 (4.8%), FLT3(D835Y) (5.9%), STK16 (7.7%), JAK3 (8.2), TTK (8.3%), FLT3(ITD,F691L) (9%), FLT3(D835H) (9.8%); Screened in Invitrogen panel at 10 µM, closest targets: IC50(NTRK1) = 56 nM, IC50(MAP3K9) = 75.3 nM; Screened in CEREP panel against 122 human receptors, ion channels, enzymes, closest target: Ki(ADORA3) = 27 nM; Screened in GPCR screen against 45 targets at 10 µM, clean profile;
Selectivity Source Knowledge
Compound image 
PF-04554878
Protein Kinase
PTK2B
IC50 = 0.2
Kinase set
100 nM
Compound EUbOPEN ID
EUB0000138c
SMILES
CNC(C1=CC=C(NC2=NC=C(C(F)(F)F)C(NCC3=C(N(S(C)(=O)=O)C)N=CC=N3)=N2)C=C1)=O
InChIKey
FWLMVFUGMHIOAA-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
CAKB, PYK2, RAFTK, PTK, CADTK
Mode of action
Inhibitor
Negative control
PF-00911705
Affinity biochemical assay type
Binding assay
Affinity Biochemical Source Knowledge
Selectivity platform
KinomeScan (DiscoverX)
Selectivity platform number of targets
448
Selectivity remarks
Screened at 0.1 µM, closest targets as % of contr.: CLK2 (0%), FLT3(N841I) (0%), FLT3(D835V) (0.2%), YSK4 (1.7%), JAK2 (4.8%), FLT3(D835Y) (5.9%), STK16 (7.7%), JAK3 (8.2), TTK (8.3%), FLT3(ITD,F691L) (9%), FLT3(D835H) (9.8%); Screened in Invitrogen panel at 10 µM, closest targets: IC50(NTRK1) = 56 nM, IC50(MAP3K9) = 75.3 nM; Screened in CEREP panel against 122 human receptors, ion channels, enzymes, closest target: Ki(ADORA3) = 27 nM; Screened in GPCR screen against 45 targets at 10 µM, clean profile;
Selectivity Source Knowledge
Compound image 
NVP-BHG712
Protein Kinase
EPHA2
IC50 = 13
IC50 = 3
Kinase set
100 nM
Compound EUbOPEN ID
EUB0000143b
SMILES
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey
ZCCPLJOKGAACRT-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Mode of action
Inhibitor
Affinity biochemical assay type
Microscale thermophoresis (MST) assay
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
NanoBRET assay (HEK293T cells)
Selectivity platform
Kinobeads competition assays (Proteomics), literature
Selectivity platform number of targets
1483
Selectivity remarks
Closest targets: Kd(EPHA5) = 37.9 nM, other targets with low Kd values determined, however targets areof low- to no confidence; Cellular potency of closely related targets (NanoBRET assay in HEK293T cells): IC50(EPHA1) = 330 nM, IC50(EPHA3) = 1000 nM, IC50(EPHA4) = 100 nM, IC50(EPHA5) = 37 nM, IC50(EPHA6) = 2000 nM, IC50(EPHA7) = 2000 nM, IC50(EPHA8) = 12 nM, IC50(EPHB1) = 1000 nM, IC50(EPHB2) = 37 nM, IC50(EPHB3) = 330 nM, IC50(EPHB6) = 330 nM;Screened against 40 kinases in TR-FRET-based LanthaScreen™ and Caliper mobility shift assays, closest targets: IC50(RAF1) = 395 nM, IC50(c-Sarc) = 1266 nM, IC50(c-ABL) = 1667 nM, others >10 µM (PMID: 20803239)
Selectivity Source Knowledge
Compound image 
NVP-BHG712
Protein Kinase
EPHB4
IC50 = 6
IC50 = 3
Kinase set
100 nM
Compound EUbOPEN ID
EUB0000143b
SMILES
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey
ZCCPLJOKGAACRT-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
Tyro11
Mode of action
Inhibitor
Affinity biochemical assay type
Microscale thermophoresis (MST) assay
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
NanoBRET assay (HEK293T cells)
Selectivity platform
Kinobeads competition assays (Proteomics), literature
Selectivity platform number of targets
1483
Selectivity remarks
Closest targets: Kd(EPHA5) = 37.9 nM, other targets with low Kd values determined, however targets areof low- to no confidence; Cellular potency of closely related targets (NanoBRET assay in HEK293T cells): IC50(EPHA1) = 330 nM, IC50(EPHA3) = 1000 nM, IC50(EPHA4) = 100 nM, IC50(EPHA5) = 37 nM, IC50(EPHA6) = 2000 nM, IC50(EPHA7) = 2000 nM, IC50(EPHA8) = 12 nM, IC50(EPHB1) = 1000 nM, IC50(EPHB2) = 37 nM, IC50(EPHB3) = 330 nM, IC50(EPHB6) = 330 nM;Screened against 40 kinases in TR-FRET-based LanthaScreen™ and Caliper mobility shift assays, closest targets: IC50(RAF1) = 395 nM, IC50(c-Sarc) = 1266 nM, IC50(c-ABL) = 1667 nM, others >10 µM (PMID: 20803239)
Selectivity Source Knowledge
Compound image 
LDC1267
Protein Kinase
MERTK
IC50 = 5
Kinase set
100 nM
Compound EUbOPEN ID
EUB0000147b
SMILES
CCOc1cn(-c2ccc(F)cc2C)nc1C(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)c(F)c1
InChIKey
ISPBCAXOSOLFME-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
mer, RP38, c-Eyk, Tyro12
Mode of action
Inhibitor
Affinity biochemical assay type
HTRF assay
Affinity Biochemical Source Knowledge
Selectivity platform
KinomeScan (DiscoverX)
Selectivity platform number of targets
465
Selectivity remarks
Screened at 1 µM, closest targets with <10% of contr.: ABL1, BLK, DDR1, FLT3, KIT, LCK, STK10, MAP2K5, MET, HIPK4, AURKB/C, FER, HCK, MST1R, CDK19, FRK, SRC, TIE1, CHEK2, MUSK, CDK8, CSF1R, EPHB6, PDGFRB, ROS1, NRTK1/3, MAP4K5, and mutants; Cellular selectivity (quantitative chemical proteomics, cell-based phosphorylation and proliferation assays in Hs578t cells), closest targets: Kd(cMET) = 13 nM,Kd(FER) = 107 nM, Kd(MAP2K5) = 124 nM, Kd(ABL1) = 154 nM, Kd(SRC) = 217 nM;
Selectivity Source Knowledge
Compound image 
LDC1267
Protein Kinase
TYRO3
IC50 = 8
Kinase set
100 nM
Compound EUbOPEN ID
EUB0000147b
SMILES
CCOc1cn(-c2ccc(F)cc2C)nc1C(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)c(F)c1
InChIKey
ISPBCAXOSOLFME-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
Dtk, Brt, Tif, Sky, Etk-2, Rek
Mode of action
Inhibitor
Affinity biochemical assay type
HTRF assay
Affinity Biochemical Source Knowledge
Selectivity platform
KinomeScan (DiscoverX)
Selectivity platform number of targets
465
Selectivity remarks
Screened at 1 µM, closest targets with <10% of contr.: ABL1, BLK, DDR1, FLT3, KIT, LCK, STK10, MAP2K5, MET, HIPK4, AURKB/C, FER, HCK, MST1R, CDK19, FRK, SRC, TIE1, CHEK2, MUSK, CDK8, CSF1R, EPHB6, PDGFRB, ROS1, NRTK1/3, MAP4K5, and mutants; Cellular selectivity (quantitative chemical proteomics, cell-based phosphorylation and proliferation assays in Hs578t cells), closest targets: Kd(cMET) = 13 nM,Kd(FER) = 107 nM, Kd(MAP2K5) = 124 nM, Kd(ABL1) = 154 nM, Kd(SRC) = 217 nM;
Selectivity Source Knowledge
Compound image 
LDC1267
Protein Kinase
AXL
IC50 = 29
Kd = 19
Kinase set
100 nM
Compound EUbOPEN ID
EUB0000147b
SMILES
CCOc1cn(-c2ccc(F)cc2C)nc1C(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)c(F)c1
InChIKey
ISPBCAXOSOLFME-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
UFO, JTK11, Tyro7, ARK
Mode of action
Inhibitor
Affinity biochemical assay type
HTRF assay
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
Quantitative chemical proteomics in Hs578t cells
Selectivity platform
KinomeScan (DiscoverX)
Selectivity platform number of targets
465
Selectivity remarks
Screened at 1 µM, closest targets with <10% of contr.: ABL1, BLK, DDR1, FLT3, KIT, LCK, STK10, MAP2K5, MET, HIPK4, AURKB/C, FER, HCK, MST1R, CDK19, FRK, SRC, TIE1, CHEK2, MUSK, CDK8, CSF1R, EPHB6, PDGFRB, ROS1, NRTK1/3, MAP4K5, and mutants; Cellular selectivity (quantitative chemical proteomics, cell-based phosphorylation and proliferation assays in Hs578t cells), closest targets: Kd(cMET) = 13 nM,Kd(FER) = 107 nM, Kd(MAP2K5) = 124 nM, Kd(ABL1) = 154 nM, Kd(SRC) = 217 nM;
Selectivity Source Knowledge
Compound image 
GSK2334470
Protein Kinase
PDPK1
IC50 = 2.5
Kinase set
1 µM
Compound EUbOPEN ID
EUB0000153b
SMILES
CNc1nc(-c2ccc3c(N)n[nH]c3c2)cc(N2C[C@@H](C(=O)NC3CCCCC3)CC[C@H]2C)n1
InChIKey
QLPHOXTXAKOFMU-WBVHZDCISA-N
NCBI gene ID
UniProt ID
Synonyms
PDK1
Mode of action
Inhibitor
Affinity biochemical assay type
Enzymatic inhibition assay
Affinity Biochemical Source Knowledge
Selectivity platform
Kinase panel (Millipore)
Selectivity platform number of targets
285
Selectivity remarks
Screened at 10 µM, closest targets as % of contr.: SGK2 (0%), PRKX (4%), RSK4 (12%), SGK (13%), RSK3 (14%), NUAK1 (16%), ROCK2 (17%); Screened against panel of 13 kinases (PDK, AKT1, ALK5, ASK1, AURA, AURB, EGFR, GSK3B, IKK1, PIK3CG, ROCK1, SYK, VEGFR2): IC50(ODK) = 2.5 nM, IC50(AURB) = 3162 nM, IC50(ROCK1) = 7943 nM, others >10 µM;
Selectivity Source Knowledge
Compound image 
Enzastaurin
Protein Kinase
PRKCA
IC50 = 39
Kinase set
100 nM
Compound EUbOPEN ID
EUB0000154b
SMILES
Cn1cc(C2=C(c3cn(C4CCN(Cc5ccccn5)CC4)c4ccccc34)C(=O)NC2=O)c2ccccc21
InChIKey
AXRCEOKUDYDWLF-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
PKCalpha
Mode of action
Inhibitor
Affinity biochemical assay type
Filter-binding assays
Affinity Biochemical Source Knowledge
Selectivity platform
KinomeScan (DiscoverX)
Selectivity platform number of targets
456
Selectivity remarks
Screened at 1 µM, follow-up Kds for closest targets: Kd(GSK3B) = 8.3 nM, Kd(PRKCD) = 25 nM, Kd(RSK4) = 25 nM, Kd(PRKCQ) = 36 nM, Kd(FLT3(D835Y)) = 40 nM, Kd(PRKCH) = 46 nM, Kd(FLT3(D835H)) = 49 nM, Kd(FLT3(ITD)) = 72 nM, Kd(MAPK15) = 76 nM, Kd(RSK2Kd) = 87 nM, 18 other targets with Kd 0.1-1 µM;
Selectivity Source Knowledge
Compound image 
Enzastaurin
Protein Kinase
PRKCB
IC50 = 6
Kinase set
100 nM
Compound EUbOPEN ID
EUB0000154b
SMILES
Cn1cc(C2=C(c3cn(C4CCN(Cc5ccccn5)CC4)c4ccccc34)C(=O)NC2=O)c2ccccc21
InChIKey
AXRCEOKUDYDWLF-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
PKCbeta
Mode of action
Inhibitor
Affinity biochemical assay type
Filter-binding assays
Affinity Biochemical Source Knowledge
Selectivity platform
KinomeScan (DiscoverX)
Selectivity platform number of targets
456
Selectivity remarks
Screened at 1 µM, follow-up Kds for closest targets: Kd(GSK3B) = 8.3 nM, Kd(PRKCD) = 25 nM, Kd(RSK4) = 25 nM, Kd(PRKCQ) = 36 nM, Kd(FLT3(D835Y)) = 40 nM, Kd(PRKCH) = 46 nM, Kd(FLT3(D835H)) = 49 nM, Kd(FLT3(ITD)) = 72 nM, Kd(MAPK15) = 76 nM, Kd(RSK2Kd) = 87 nM, 18 other targets with Kd 0.1-1 µM;
Selectivity Source Knowledge
Compound image 
Enzastaurin
Protein Kinase
PRKCG
IC50 = 83
Kinase set
100 nM
Compound EUbOPEN ID
EUB0000154b
SMILES
Cn1cc(C2=C(c3cn(C4CCN(Cc5ccccn5)CC4)c4ccccc34)C(=O)NC2=O)c2ccccc21
InChIKey
AXRCEOKUDYDWLF-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
PKCCy, MGC57564, PKCgamma
Mode of action
Inhibitor
Affinity biochemical assay type
Filter-binding assays
Affinity Biochemical Source Knowledge
Selectivity platform
KinomeScan (DiscoverX)
Selectivity platform number of targets
456
Selectivity remarks
Screened at 1 µM, follow-up Kds for closest targets: Kd(GSK3B) = 8.3 nM, Kd(PRKCD) = 25 nM, Kd(RSK4) = 25 nM, Kd(PRKCQ) = 36 nM, Kd(FLT3(D835Y)) = 40 nM, Kd(PRKCH) = 46 nM, Kd(FLT3(D835H)) = 49 nM, Kd(FLT3(ITD)) = 72 nM, Kd(MAPK15) = 76 nM, Kd(RSK2Kd) = 87 nM, 18 other targets with Kd 0.1-1 µM;
Selectivity Source Knowledge
Compound image 
Enzastaurin
Protein Kinase
PRKCE
IC50 = 110
Kinase set
100 nM
Compound EUbOPEN ID
EUB0000154b
SMILES
Cn1cc(C2=C(c3cn(C4CCN(Cc5ccccn5)CC4)c4ccccc34)C(=O)NC2=O)c2ccccc21
InChIKey
AXRCEOKUDYDWLF-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Mode of action
Inhibitor
Affinity biochemical assay type
Filter-binding assays
Affinity Biochemical Source Knowledge
Selectivity platform
KinomeScan (DiscoverX)
Selectivity platform number of targets
456
Selectivity remarks
Screened at 1 µM, follow-up Kds for closest targets: Kd(GSK3B) = 8.3 nM, Kd(PRKCD) = 25 nM, Kd(RSK4) = 25 nM, Kd(PRKCQ) = 36 nM, Kd(FLT3(D835Y)) = 40 nM, Kd(PRKCH) = 46 nM, Kd(FLT3(D835H)) = 49 nM, Kd(FLT3(ITD)) = 72 nM, Kd(MAPK15) = 76 nM, Kd(RSK2Kd) = 87 nM, 18 other targets with Kd 0.1-1 µM;
Selectivity Source Knowledge
Compound image 
DDR-TRK-1N (380079)
Protein Kinase
NTRK2
Negative Control
Kinase set
1 µM
Compound EUbOPEN ID
EUB0000156b
SMILES
CN1CCN(Cc2cc(NC(=O)c3ccc4c(c3)CN(c3ccccc3)CC4)cc(C(F)(F)F)c2)CC1
InChIKey
FWKRCZKMCJOFNG-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
TRKB
Mode of action
Negative control for DDR-TRK-1 (D2202-1)
Affinity Biochemical Source Knowledge
Compound image 
DDR-TRK-1N (380079)
Protein Kinase
NTRK3
Negative Control
Kinase set
1 µM
Compound EUbOPEN ID
EUB0000156b
SMILES
CN1CCN(Cc2cc(NC(=O)c3ccc4c(c3)CN(c3ccccc3)CC4)cc(C(F)(F)F)c2)CC1
InChIKey
FWKRCZKMCJOFNG-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
TRKC
Mode of action
Negative control for DDR-TRK-1 (D2202-1)
Affinity Biochemical Source Knowledge
Compound image 
DDR-TRK-1N (380079)
Protein Kinase
DDR1
Negative Control
Kinase set
1 µM
Compound EUbOPEN ID
EUB0000156b
SMILES
CN1CCN(Cc2cc(NC(=O)c3ccc4c(c3)CN(c3ccccc3)CC4)cc(C(F)(F)F)c2)CC1
InChIKey
FWKRCZKMCJOFNG-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
RTK6, CD167
Mode of action
Negative control for DDR-TRK-1 (D2202-1)
Affinity Biochemical Source Knowledge
Compound image 
DDR-TRK-1N (380079)
Protein Kinase
DDR2
Negative Control
Kinase set
1 µM
Compound EUbOPEN ID
EUB0000156b
SMILES
CN1CCN(Cc2cc(NC(=O)c3ccc4c(c3)CN(c3ccccc3)CC4)cc(C(F)(F)F)c2)CC1
InChIKey
FWKRCZKMCJOFNG-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
TKT
Mode of action
Negative control for DDR-TRK-1 (D2202-1)
Affinity Biochemical Source Knowledge
Compound image 
DDR-TRK-1N (380079)
Protein Kinase
NTRK1
Negative Control
Kinase set
1 µM
Compound EUbOPEN ID
EUB0000156b
SMILES
CN1CCN(Cc2cc(NC(=O)c3ccc4c(c3)CN(c3ccccc3)CC4)cc(C(F)(F)F)c2)CC1
InChIKey
FWKRCZKMCJOFNG-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
TRK, TRKA, MTC
Mode of action
Negative control for DDR-TRK-1 (D2202-1)
Affinity Biochemical Source Knowledge
Compound image 
BI-1347
Protein Kinase
CDK8
IC50 = 1
Kinase set
100 nM
Compound EUbOPEN ID
EUB0000162b
SMILES
CN(C)C(=O)Cn1cc(-c2ccc(-c3cncc4ccccc34)cc2)cn1
InChIKey
WULUGQONDYDNKY-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
K35
Mode of action
Inhibitor
Negative control
BI-1374
Affinity biochemical assay type
Lantha screen (CDK8/cyclinC inhibition)
Affinity Biochemical Source Knowledge
Selectivity platform
Invitrogen® panel
Selectivity platform number of targets
369
Selectivity remarks
In-vitro potency of closest target: IC50(CDK11) = 1.7 nM
Selectivity Source Knowledge
Compound image 
BI-1374
Protein Kinase
CDK8
IC50 = 671
Kinase set
100 nM
Compound EUbOPEN ID
EUB0000163b
SMILES
CN(C)C(=O)Cn1cc(-c2ccc(-c3nnc4ccccn34)cc2)cn1
InChIKey
ODRITQGYYWHQGM-INIZCTEOSA-N
NCBI gene ID
UniProt ID
Synonyms
K35
Mode of action
Negative control for BI-1347
Affinity biochemical assay type
Lantha screen (CDK8/cyclinC inhibition)
Affinity Biochemical Source Knowledge
Compound image 
NVS-PAK1-1
Protein Kinase
PAK1
IC50 = 6
IC50 = 250
Kinase set
1 µM
Compound EUbOPEN ID
EUB0000164c
SMILES
CC(C)NC(=O)N1CC[C@H](NC2=Nc3cc(F)ccc3N(CC(F)F)c3ccc(Cl)cc32)C1
InChIKey
OINGHOPGNMYCAB-INIZCTEOSA-N
NCBI gene ID
UniProt ID
Mode of action
Allosteric inhibitor
Negative control
NVS-PAK1-C
Affinity biochemical assay type
Caliper in vitro assay
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
Western Blot (inhibition of autophosphorylation of PAK (S144) in Su86.86 cell line)
Selectivity platform
KinomeScan (DiscoverX)
Selectivity platform number of targets
442
Selectivity remarks
Screened at 10 µM, S(10) = 0.003, closest target: IC50(PAK2) = 72 nM; Screened against 27 receptors (Novartis panel) at 10 µM, closest target: IC50(H1) = 13 µM, IC50(M1) = 13 µM; Screened against panel of 48 bromodomains at 10 µM in DSF-assay, all targets dTm < 1 K clean profile
Selectivity Source Knowledge
Compound image 
SGC-AAK1-1
Protein Kinase
AAK1
Ki = 9.1
IC50 = 230
Kinase set
1 µM
Compound EUbOPEN ID
EUB0000165b
SMILES
CCN(CC)S(=O)(=O)Nc1cccc(-c2ccc3c(NC(=O)C4CC4)n[nH]c3c2)c1
InChIKey
UCBIQZUJJSVQHL-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
KIAA1048, DKFZp686K16132
Mode of action
Inhibitor
Negative control
SGC-AAK1-1N
Affinity biochemical assay type
TR-FRET binding-displacement assays
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
NanoBRET assay (HEK293T cells)
Selectivity platform
KinomeScan (DiscoverX)
Selectivity platform number of targets
403
Selectivity remarks
Screened at 1 µM, S(10) = 0.02, follow-up Kds for closest targets: Kd(PIP5K1C) = 260 nM, Kd(RIOK1) = 72 nM, Kd(RIOK3) = 290 nM; Kd(RIOK3) = 290 nM, Kd(CDKL2) = 880 nM, Kd(MYLK2) = 960 nM;
Selectivity Source Knowledge
Compound image 
SGC-AAK1-1
Protein Kinase
BMP2K
Ki = 17
IC50 = 1500
Kinase set
1 µM
Compound EUbOPEN ID
EUB0000165b
SMILES
CCN(CC)S(=O)(=O)Nc1cccc(-c2ccc3c(NC(=O)C4CC4)n[nH]c3c2)c1
InChIKey
UCBIQZUJJSVQHL-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
DKFZp434K0614, BIKe
Mode of action
Inhibitor
Negative control
SGC-AAK1-1N
Affinity biochemical assay type
TR-FRET binding-displacement assays
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
NanoBRET assay (HEK293T cells)
Selectivity platform
KinomeScan (DiscoverX)
Selectivity platform number of targets
403
Selectivity remarks
Screened at 1 µM, S(10) = 0.02, follow-up Kds for closest targets: Kd(PIP5K1C) = 260 nM, Kd(RIOK1) = 72 nM, Kd(RIOK3) = 290 nM; Kd(RIOK3) = 290 nM, Kd(CDKL2) = 880 nM, Kd(MYLK2) = 960 nM;
Selectivity Source Knowledge
Compound image 
SGC-AAK1-1N
Protein Kinase
AAK1
Negative Control
Kinase set
1 µM
Compound EUbOPEN ID
EUB0000166b
SMILES
CC(C)C(=O)Nc1n[nH]c2cc(-c3cccc(NS(=O)(=O)C4CC4)c3)ccc12
InChIKey
RAIAORGFMNXPOV-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
KIAA1048, DKFZp686K16132
Mode of action
Negative control for SGC-AAK1-1
Affinity Biochemical Source Knowledge
Compound image 
SGC-AAK1-1N
Protein Kinase
BMP2K
Negative Control
Kinase set
1 µM
Compound EUbOPEN ID
EUB0000166b
SMILES
CC(C)C(=O)Nc1n[nH]c2cc(-c3cccc(NS(=O)(=O)C4CC4)c3)ccc12
InChIKey
RAIAORGFMNXPOV-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
DKFZp434K0614, BIKe
Mode of action
Negative control for SGC-AAK1-1
Affinity Biochemical Source Knowledge
Compound image 
SGC-CAMKK2-1 (UNC-YL-36)
Protein Kinase
CAMKK2
IC50 = 30
Kinase set
1 µM
Compound EUbOPEN ID
EUB0000167b
SMILES
Cc1cccc(-c2cnc3occ(-c4ccc(C(=O)O)c(C5CCCC5)c4)c3c2)c1
InChIKey
TXIYVFVMXNFNRX-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
CAMKK, KIAA0787, CAMKKB, MGC15254
Mode of action
Inhibitor
Negative control
SGC-CAMKK2-1N (UNC-YL-83)
Affinity biochemical assay type
Enzymatic activity assay
Affinity Biochemical Source Knowledge
Selectivity platform
KinomeScan (DiscoverX)
Selectivity platform number of targets
403
Selectivity remarks
Screened at 1 µM, off-target PoC of 12%
Selectivity Source Knowledge
Compound image 
SGC-CAMKK2-1N (UNC-YL-83)
Protein Kinase
CAMKK2
Negative Control
Kinase set
1 µM
Compound EUbOPEN ID
EUB0000168b
SMILES
O=C(O)c1ccc(-c2coc3ncc(-c4ccccc4)cc23)cc1Cl
InChIKey
KHPDNSBTNDXSBL-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
CAMKK, KIAA0787, CAMKKB, MGC15254
Mode of action
Negative control for SGC-CAMKK2-1 (UNC-YL-36)
Affinity Biochemical Source Knowledge
Compound image 
BI-2536
Protein Kinase
PLK1
Kd = 0.19
Kinase set
1 µM
Compound EUbOPEN ID
EUB0000169b
SMILES
CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc2N1C1CCCC1
InChIKey
XQVVPGYIWAGRNI-JOCHJYFZSA-N
NCBI gene ID
UniProt ID
Mode of action
Inhibitor
Affinity biochemical assay type
ITC
Affinity Biochemical Source Knowledge
Selectivity platform
KinomeScan (DiscoverX)
Selectivity platform number of targets
468
Selectivity remarks
Screened at 1 µM, closest targets as % of contrl.: ALK(C1156Y) (0.3%), CAMKK1/2 (3.7/ 3.4%), PIP5K2C (4.2%), PLK2/3 (1.2/ 0.5%), RPS6KA4(KD2-C) (0.3%); follow-up IC50s of closest targets: IC50(PLK2) = 3.5 nM, IC50(PLK3) = 9 nM; Screened in Dundee panel against 30 kinases at 10 µM, clean profile; Screened in SafetyScreen44™ (Eurofins) against 64 targets (GPCRS, ion channels, transporters) at 10 µM, closest target as % of contr. ALPHA1A/R (13%);
Selectivity Source Knowledge
Compound image 
BI-2536
Bromodomain
BRD4
Kd = 37
IC50 = 300
Kinase set
1 µM
Compound EUbOPEN ID
EUB0000169b
SMILES
CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc2N1C1CCCC1
InChIKey
XQVVPGYIWAGRNI-JOCHJYFZSA-N
NCBI gene ID
UniProt ID
Synonyms
HUNKI, MCAP, CAP, HUNK1
Mode of action
Inhibitor
Affinity biochemical assay type
ITC
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
NanoBRET assay (HEK293T cells)
Selectivity platform
KinomeScan (DiscoverX)
Selectivity platform number of targets
468
Selectivity remarks
Screened at 1 µM, closest targets as % of contrl.: ALK(C1156Y) (0.3%), CAMKK1/2 (3.7/ 3.4%), PIP5K2C (4.2%), PLK2/3 (1.2/ 0.5%), RPS6KA4(KD2-C) (0.3%), follow-up IC50s of closest targets: IC50(PLK2) = 3.5 nM, IC50(PLK3) = 9 nM; Screened in Dundee panel against 30 kinases at 10 µM, clean profile; Screened in SafetyScreen44™ (Eurofins) against 64 targets (GPCRS, ion channels, transporters) at 10 µM, closest target as % of contr. ALPHA1A/R (13%);
Selectivity Source Knowledge
Compound image 
XMU-MP-1
Protein Kinase
STK3
Kd = 11
Kinase set
100 nM
Compound EUbOPEN ID
EUB0000178b
SMILES
CN1C(=O)c2sccc2N(C)c2nc(Nc3ccc(S(N)(=O)=O)cc3)ncc21
InChIKey
YRDHKIFCGOZTGD-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
MST2, KRS1
Mode of action
Inhibitor
Affinity biochemical assay type
Competition binding assay (DiscoverX)
Affinity Biochemical Source Knowledge
Selectivity platform
KinomeScan (DiscoverX)
Selectivity platform number of targets
468
Selectivity remarks
Screened at 1 µM, S(10) = 0.05, closest targets as % of contr.: ABL (M351T phosph.) (5.5%), ABL (Q252H phosph.) (6.8%), ABL (T315I phosph.) (1.6%), AURKA (0.05%), AURKB (3.4%), DCAMKL1 (8.3%), MAP3K2 (2.6%), MAP3K3 (2%), JAK1 (JH2 pseudokinase domain) (4.3%), STK24 (0.9%), STK26 (0.6%), PIK3CG (0.15%), PIP5K1C (10%), PIP5K2C (8%), RIPK4 (9.5%), TAOK1 (2.6%), TAOK2 (3.4%), TAOK3 (4.5%), TYK2 (JH1 catalytic domain, 2.7%), ULK2 (4.8%); Follow-up Kds and IC50s: Kd/IC50(ABL, M351T phosph.) = 42/ 17.6 nM, KD/IC50(ABL (Q252H phosph.) = 24/ 11.6 nM, Kd/IC50(ABL, T315I phosph.) = 14/ 16.6 nM, Kd/IC50 (AURKA) = 13/ 19.4 nM, Kd/IC50(AURKB) = 40/ 19.4 nM, Kd/IC50(DCAMKL1) = 25/ 27.9 nM, Kd/IC50(MAP3K2) = 19/ 79.6 nM, Kd/IC50(MAP3K3) = 27/ 38.4 nM, Kd/IC50(JAK1, JH2 pseudokinase domain) = 22/ 38.7 nM, Kd/IC50(STK24) = 18/ 44.8 nM, Kd/IC50(STK26) = 16/ 27.3 nM, Kd/IC50(PIK3CG) = 4.8/ 38.4 nM, Kd/IC50(PIP5K1C) = 77/ 436 nM, Kd(PIP5K2C) = 34 nM, Kd(RIPK4) = 140 nM, Kd/IC50(TAOK1) = 180/ 165 nM, Kd/IC50(TAOK2) = 100/ 134 nM, Kd/IC50(TAOK3) = 610/ 254 nM, Kd/IC50(TYK2, JH1 catalytic domain) = 610/ 254 nM, Kd/IC50(ULK2) = 35/ 41.5 nM;
Selectivity Source Knowledge
Compound image 
XMU-MP-1
Protein Kinase
STK4
Kd = 17
Kinase set
100 nM
Compound EUbOPEN ID
EUB0000178b
SMILES
CN1C(=O)c2sccc2N(C)c2nc(Nc3ccc(S(N)(=O)=O)cc3)ncc21
InChIKey
YRDHKIFCGOZTGD-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
MST1, KRS2, YSK3
Mode of action
Inhibitor
Affinity biochemical assay type
Competition binding assay (DiscoverX)
Affinity Biochemical Source Knowledge
Selectivity platform
KinomeScan (DiscoverX)
Selectivity platform number of targets
468
Selectivity remarks
Screened at 1 µM, S(10) = 0.05, closest targets as % of contr.: ABL (M351T phosph.) (5.5%), ABL (Q252H phosph.) (6.8%), ABL (T315I phosph.) (1.6%), AURKA (0.05%), AURKB (3.4%), DCAMKL1 (8.3%), MAP3K2 (2.6%), MAP3K3 (2%), JAK1 (JH2 pseudokinase domain) (4.3%), STK24 (0.9%), STK26 (0.6%), PIK3CG (0.15%), PIP5K1C (10%), PIP5K2C (8%), RIPK4 (9.5%), TAOK1 (2.6%), TAOK2 (3.4%), TAOK3 (4.5%), TYK2 (JH1 catalytic domain, 2.7%), ULK2 (4.8%); Follow-up Kds and IC50s: Kd/IC50(ABL, M351T phosph.) = 42/ 17.6 nM, KD/IC50(ABL (Q252H phosph.) = 24/ 11.6 nM, Kd/IC50(ABL, T315I phosph.) = 14/ 16.6 nM, Kd/IC50 (AURKA) = 13/ 19.4 nM, Kd/IC50(AURKB) = 40/ 19.4 nM, Kd/IC50(DCAMKL1) = 25/ 27.9 nM, Kd/IC50(MAP3K2) = 19/ 79.6 nM, Kd/IC50(MAP3K3) = 27/ 38.4 nM, Kd/IC50(JAK1, JH2 pseudokinase domain) = 22/ 38.7 nM, Kd/IC50(STK24) = 18/ 44.8 nM, Kd/IC50(STK26) = 16/ 27.3 nM, Kd/IC50(PIK3CG) = 4.8/ 38.4 nM, Kd/IC50(PIP5K1C) = 77/ 436 nM, Kd(PIP5K2C) = 34 nM, Kd(RIPK4) = 140 nM, Kd/IC50(TAOK1) = 180/ 165 nM, Kd/IC50(TAOK2) = 100/ 134 nM, Kd/IC50(TAOK3) = 610/ 254 nM, Kd/IC50(TYK2, JH1 catalytic domain) = 610/ 254 nM, Kd/IC50(ULK2) = 35/ 41.5 nM;
Selectivity Source Knowledge
Compound image 
Fexaramine
Nuclear-receptor
NR1H4
EC50 = 25
NR
Compound EUbOPEN ID
EUB0000182b
SMILES
CN(C)C1=CC=C(C=C1)C2=CC=C(C=C2)CN(C3=CC=CC(=C3)/C=C/C(=O)OC)C(=O)C4CCCCC4
InChIKey
VLQTUNDJHLEFEQ-KGENOOAVSA-N
NCBI gene ID
UniProt ID
Synonyms
FXR, RIP14, HRR1, HRR-1
Mode of action
Agonist
Affinity on-target cellular assay type
cell-based
Selectivity platform
in house
Selectivity remarks
inactive at 1 µM for NR1H2, NR1H3, VP16 and RXRA
Selectivity Source Knowledge
Compound image 
GSK2033
Nuclear-receptor
NR1H2
IC50 = 31
NR
Compound EUbOPEN ID
EUB0000183b
SMILES
CC1=CC(=C(C(=C1)C)S(=O)(=O)N(CC2=CC=C(C=C2)C3=CC(=CC=C3)S(=O)(=O)C)CC4=CC=C(O4)C(F)(F)F)C
InChIKey
PSOXOVKYGWBTPB-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
NER, NER-I, RIP15, LXR-b, LXRb
Mode of action
Antagonist
Affinity on-target cellular assay type
cell-based
Selectivity platform
in house
Selectivity remarks
inactive at 1 µM for NR1H4, VP16 and RXRA
Selectivity Source Knowledge
Compound image 
GSK2033
Nuclear-receptor
NR1H3
IC50 = 100
NR
Compound EUbOPEN ID
EUB0000183b
SMILES
CC1=CC(=C(C(=C1)C)S(=O)(=O)N(CC2=CC=C(C=C2)C3=CC(=CC=C3)S(=O)(=O)C)CC4=CC=C(O4)C(F)(F)F)C
InChIKey
PSOXOVKYGWBTPB-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
LXR-a, RLD-1, LXRa
Mode of action
Antagonist
Affinity on-target cellular assay type
cell-based
Selectivity platform
in house
Selectivity remarks
inactive at 1 µM for NR1H4, VP16 and RXRA
Selectivity Source Knowledge
Compound image 
GW4064
Nuclear-receptor
NR1H4
EC50 = 70
NR
Compound EUbOPEN ID
EUB0000184b
SMILES
CC(C)C1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)COC3=CC(=C(C=C3)/C=C/C4=CC(=CC=C4)C(=O)O)Cl
InChIKey
BYTNEISLBIENSA-MDZDMXLPSA-N
NCBI gene ID
UniProt ID
Synonyms
FXR, RIP14, HRR1, HRR-1
Mode of action
Agonist
Affinity on-target cellular assay type
cell-based
Selectivity platform
in house
Selectivity remarks
inactive at 1 µM for NR1H2, NR1H3, VP16 and RXRA
Selectivity Source Knowledge
Compound image 
GW7647
Nuclear-receptor
PPARA
EC50 = 6.3
NR
Compound EUbOPEN ID
EUB0000185b
SMILES
CC(C)(C(=O)O)SC1=CC=C(C=C1)CCN(CCCCC2CCCCC2)C(=O)NC3CCCCC3
InChIKey
PKNYXWMTHFMHKD-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
hPPAR, NR1C1
Mode of action
Agonist
Affinity on-target cellular assay type
cell-based
Selectivity platform
literature; in house
Selectivity remarks
EC50 at 6200 nM for PPARD, EC50 at 1000 nM for PPARG; inactive at 1 µM for VP16 and RXRA
Selectivity Source Knowledge
Compound image 
Rosiglitazone
Nuclear-receptor
PPARG
EC50 = 30
NR
Compound EUbOPEN ID
EUB0000190b
SMILES
CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1
InChIKey
YASAKCUCGLMORW-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
PPARG1, PPARG2, NR1C3, PPARgamma
Mode of action
Agonist
Affinity on-target cellular assay type
cell-based
Selectivity platform
literature; in house
Selectivity remarks
EC50 at 15000 nM for PPARA, EC50 at 8600 nM for PPARD; inactive at 1 µM for VP16 and RARB
Selectivity Source Knowledge
Compound image 
BAY-299
Bromodomain
BRD1@BRD
IC50 = 67
IC50 = 503
Epigenetic set
1 µM
Compound EUbOPEN ID
EUB0000191c
SMILES
Cc1cc2c(cc1N1C(=O)c3cccc4c(CCCO)ccc(c34)C1=O)n(C)c(=O)n2C
InChIKey
OFWWWKWUCDUISA-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
BRL, BRPF2
Mode of action
Inhibitor
Negative control
BAY-364
Affinity biochemical assay type
TR-FRET assay
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
NanoBRET assay (HEK293T cells)
Selectivity platform
CEREP panel (LeadProfilingScreen Eurofins)
Selectivity platform number of targets
68
Selectivity remarks
Screened at 10 µM against receptors, ion channels and enzymes, closest targets as % of contr.: A1 receptor (48%), Cl- channel (GABA-gated) (23%), PDE2A1 (49%), PDE5 (2%), >10000-fold selective; In vitro activity of closest targets (TR-FRET assays): IC50(BRPF1) = 3.15 µM, IC50(BRPF3) = 5.55 µM, IC50(TAF1L, BD2) = 0.106 µM, IC50(BRD4, BD1) >15 µM, IC50(BRD4,BD2) >20 µM; Screened in DSF assay against 48 bromodomains at 10 µM, closest targets: dTm(CECR2) = 3.5 K, dTm(EP300) = 3.5 K, dTm(BRD7) = 2.3 K; In vitro follow up ITC: Kd(CECR2) = 1.39 µM; Screened against31 bromodomains in (BROMOscan DiscoverX) at 100 nM, closest targets as % contr.: CREBBP (30%), TAF1L(BD2) (0.7%); Screened against 300 kinases at 10 µM, >10000-fold selective (PMID: 28402630)
Selectivity Source Knowledge
Compound image 
BAY-299
Bromodomain
TAF1@BD2
IC50 = 8
IC50 = 970
Epigenetic set
1 µM
Compound EUbOPEN ID
EUB0000191c
SMILES
Cc1cc2c(cc1N1C(=O)c3cccc4c(CCCO)ccc(c34)C1=O)n(C)c(=O)n2C
InChIKey
OFWWWKWUCDUISA-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
NSCL2, TAFII250, KAT4, DYT3/TAF1
Mode of action
Inhibitor
Negative control
BAY-364
Affinity biochemical assay type
TR-FRET assay
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
NanoBRET assay (HEK293T cells)
Selectivity platform
CEREP panel (LeadProfilingScreen Eurofins)
Selectivity platform number of targets
68
Selectivity remarks
Screened at 10 µM against receptors, ion channels and enzymes, closest targets as % of contr.: A1 receptor (48%), Cl- channel (GABA-gated) (23%), PDE2A1 (49%), PDE5 (2%), >10000-fold selective; In vitro activity of closest targets (TR-FRET assays): IC50(BRPF1) = 3.15 µM, IC50(BRPF3) = 5.55 µM, IC50(TAF1L, BD2) = 0.106 µM, IC50(BRD4, BD1) >15 µM, IC50(BRD4,BD2) >20 µM; Screened in DSF assay against 48 bromodomains at 10 µM, closest targets: dTm(CECR2) = 3.5 K, dTm(EP300) = 3.5 K, dTm(BRD7) = 2.3 K; In vitro follow up ITC: Kd(CECR2) = 1.39 µM; Screened against31 bromodomains in (BROMOscan DiscoverX) at 100 nM, closest targets as % contr.: CREBBP (30%), TAF1L(BD2) (0.7%); Screened against 300 kinases at 10 µM, >10000-fold selective (PMID: 28402630)
Selectivity Source Knowledge
Compound image 
BAZ2-ICR
Bromodomain
BAZ2A@BRD
Kd = 109
EC50 < 1000
Epigenetic set
1 µM
Compound EUbOPEN ID
EUB0000192d
SMILES
Cn1cc(CCn2cnc(-c3cnn(C)c3)c2-c2ccc(C#N)cc2)cn1
InChIKey
RRZVGDGTWNQAPW-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
KIAA0314, TIP5, WALp3
Mode of action
Inhibitor
Affinity biochemical assay type
ITC
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
FRAP assay (utilizing GFP-tagged BAZ2A full length protein transfected into U2OS cells)
Selectivity platform
Bromodomain panel, literature
Selectivity platform number of targets
47
Selectivity remarks
Screeed at 10 µM in thermal shift assays, dTm(BAZ2A) = 5.2 K, dTm(BAZ2B) = 3.8 K, dTm(CECR2) = 2.0 K; Follow-up in vitro potency (ITC): Kd(CECR2) = 1.55 µM (15-fold selective); Greater 100-fold selective for BRD4 (IC50 >50 µM, BRD4 AlphaScreen assay); Clean profile in CEREP screen against 55 targets (receptors, ion chanels) at 10 µM;
Selectivity Source Knowledge
Compound image 
BAZ2-ICR
Bromodomain
BAZ2B@BRD
Kd = 170
EC50 < 1000
Epigenetic set
1 µM
Compound EUbOPEN ID
EUB0000192d
SMILES
Cn1cc(CCn2cnc(-c3cnn(C)c3)c2-c2ccc(C#N)cc2)cn1
InChIKey
RRZVGDGTWNQAPW-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
WALp4
Mode of action
Inhibitor
Affinity biochemical assay type
ITC
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
FRAP assay (utilizing GFP-tagged BAZ2A full length protein transfected into U2OS cells)
Selectivity platform
Bromodomain panel, literature
Selectivity platform number of targets
47
Selectivity remarks
Screeed at 10 µM in thermal shift assays, dTm(BAZ2A) = 5.2 K, dTm(BAZ2B) = 3.8 K, dTm(CECR2) = 2.0 K; Follow-up in vitro potency (ITC): Kd(CECR2) = 1.55 µM (15-fold selective); Greater 100-fold selective for BRD4 (IC50 >50 µM, BRD4 AlphaScreen assay); Clean profile in CEREP screen against 55 targets (receptors, ion chanels) at 10 µM;
Selectivity Source Knowledge
Compound image 
A-196
HMT
SUV420H1@Methyltransferase
IC50 = 25
Epigenetic set
1 µM
Compound EUbOPEN ID
EUB0000193b
SMILES
Clc1cc2c(NC3CCCC3)nnc(-c3ccncc3)c2cc1Cl
InChIKey
ABGOSOMRWSYAOB-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
CGI-85
Mode of action
Inhibitor
Negative control
A-197,SGC2043
Affinity biochemical assay type
Scintillation proximity assay (SPA)
Affinity Biochemical Source Knowledge
Selectivity platform
Epigenetic methyltransferases panel, literature
Selectivity platform number of targets
29
Selectivity remarks
Highly selective in methyltransferase screen at 1 µM and 10 µM; Inactive against protein arginine methyltransferases and DNA methyltransferases; Selective against a panel of 9 epigenetic readers and chromatin binders; Screened against 125 nonepigenetic targets (CEREP panel: GPCRS, ion channels, transporters) at 10 µM, closest targets >50% inhibition: Adenosin A1 receptor (98%, Ki = 21 nM), Adenosin A2A receptor (98%, Ki = 28 nM), Cl-chanel (GABA-gated, 90%, Ki = 1.8 µM), Adenosin A2 receptor (74%, 2 µM), kappa (KOP, 62%, Ki >10 µM), NK2 (61%, Ki = 4.1 µM), delta2 (DOP, 51%, Ki = 9 µM)
Selectivity Source Knowledge
Compound image 
A-196
HMT
SUV420H2@Methyltransferase
IC50 = 144
Epigenetic set
1 µM
Compound EUbOPEN ID
EUB0000193b
SMILES
Clc1cc2c(NC3CCCC3)nnc(-c3ccncc3)c2cc1Cl
InChIKey
ABGOSOMRWSYAOB-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
MGC2705
Mode of action
Inhibitor
Negative control
A-197,SGC2043
Affinity biochemical assay type
Scintillation proximity assay (SPA)
Affinity Biochemical Source Knowledge
Selectivity platform
Epigenetic methyltransferases panel, literature
Selectivity platform number of targets
29
Selectivity remarks
Highly selective in methyltransferase screen at 1 µM and 10 µM; Inactive against protein arginine methyltransferases and DNA methyltransferases; Selective against a panel of 9 epigenetic readers and chromatin binders; Screened against 125 nonepigenetic targets (CEREP panel: GPCRS, ion channels, transporters) at 10 µM, closest targets >50% inhibition: Adenosin A1 receptor (98%, Ki = 21 nM), Adenosin A2A receptor (98%, Ki = 28 nM), Cl-chanel (GABA-gated, 90%, Ki = 1.8 µM), Adenosin A2 receptor (74%, 2 µM), kappa (KOP, 62%, Ki >10 µM), NK2 (61%, Ki = 4.1 µM), delta2 (DOP, 51%, Ki = 9 µM)
Selectivity Source Knowledge
Compound image 
UNC0642
HMT
EHMT1/GLP@Methyltransferase
IC50 < 2.5
Epigenetic set
1 µM
Compound EUbOPEN ID
EUB0000194b
SMILES
COc1cc2c(NC3CCN(C(C)C)CC3)nc(N3CCC(F)(F)CC3)nc2cc1OCCCN1CCCC1
InChIKey
RNAMYOYQYRYFQY-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
Eu-HMTase1, FLJ12879, KIAA1876, bA188C12.1, KMT1D, FLJ40292
Mode of action
Inhibitor
Affinity biochemical assay type
Enzymatic activity assay
Affinity Biochemical Source Knowledge
Selectivity platform
HMT panel, literature
Selectivity platform number of targets
16
Selectivity remarks
>100-fold selective against other HMTs, selective against 44 GPCRS, ion channels and transporters at 1 µM, closest targets as % of contr.: H3 (93%, Ki = 45 nM), µ opioid (74%, Ki >10 µM), a2C (67%, Ki > 10 µM), a1D (59%, Ki = 4.5 µM); Selective against 50 kinases at 10 µM
Selectivity Source Knowledge
Compound image 
UNC0642
HMT
EHMT2/G9a@Methyltransferase
IC50 < 2.5
Epigenetic set
1 µM
Compound EUbOPEN ID
EUB0000194b
SMILES
COc1cc2c(NC3CCN(C(C)C)CC3)nc(N3CCC(F)(F)CC3)nc2cc1OCCCN1CCCC1
InChIKey
RNAMYOYQYRYFQY-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
G9A, Em:AF134726.3, NG36/G9a, KMT1C
Mode of action
Inhibitor
Affinity biochemical assay type
Enzymatic activity assay
Affinity Biochemical Source Knowledge
Selectivity platform
HMT panel, literature
Selectivity platform number of targets
16
Selectivity remarks
>100-fold selective against other HMTs, selective against 44 GPCRS, ion channels and transporters at 1 µM, closest targets as % of contr.: H3 (93%, Ki = 45 nM), µ opioid (74%, Ki >10 µM), a2C (67%, Ki > 10 µM), a1D (59%, Ki = 4.5 µM); Selective against 50 kinases at 10 µM
Selectivity Source Knowledge
Compound image 
I-CBP112
Bromodomain
CREBBP@BRD
Kd = 151
IC50 = 600
Epigenetic set
1 µM
Compound EUbOPEN ID
EUB0000195c
SMILES
CCC(=O)N1CCOc2c(cc(-c3ccc(OC)c(OC)c3)cc2OC[C@H]2CCCN(C)C2)C1
InChIKey
YKNAKDFZAWQEEO-IBGZPJMESA-N
NCBI gene ID
UniProt ID
Synonyms
RTS, CBP, KAT3A
Mode of action
Inhibitor
Affinity biochemical assay type
ITC
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
NanoBRET assay (HEK293T cells)
Selectivity platform
Bromodomain panel, literature
Selectivity platform number of targets
42
Selectivity remarks
Screened at 2 µM via biolayer interferometry (BLI), weak inhibition of BET bromodomains at 2.0 µM (BRD2, BRD3, BRD4, BRDT on both BD1 and BD2), clean at screen with 200 nM; DSF assay screen against 43 bromodomain family members, closest targets: dTM(BRD2, BD1) = 1.35 K, dTM(BRD3, BD1) = 1.55 K, dTM(BRD4, BD1) = 2.09 K, dTm(BRD4, BD2) = 0.58 K; In vitro follow-up (ITC): Kd(BRD4, BD1) = 5.6 µM, Kd(BRD4, BD2) = 20 µM; Screened in CEREP selectivity panel against 104 targets (nuclear receptors, ion channels, and 32 enzyme assays (including 10 kinases, 9 proteases, and 5 phosphodiesterases) at 10 µM, closest targets as % of inhibition: a1A (89%), M2 (67%);
Selectivity Source Knowledge
Compound image 
I-CBP112
Bromodomain
EP300@BRD
Kd = 625
Epigenetic set
1 µM
Compound EUbOPEN ID
EUB0000195c
SMILES
CCC(=O)N1CCOc2c(cc(-c3ccc(OC)c(OC)c3)cc2OC[C@H]2CCCN(C)C2)C1
InChIKey
YKNAKDFZAWQEEO-IBGZPJMESA-N
NCBI gene ID
UniProt ID
Synonyms
p300, KAT3B
Mode of action
Inhibitor
Affinity biochemical assay type
ITC
Affinity Biochemical Source Knowledge
Selectivity platform
Bromodomain panel, literature
Selectivity platform number of targets
42
Selectivity remarks
Screened at 2 µM via biolayer interferometry (BLI), weak inhibition of BET bromodomains at 2.0 µM (BRD2, BRD3, BRD4, BRDT on both BD1 and BD2), clean at screen with 200 nM; DSF assay screen against 43 bromodomain family members, closest targets: dTM(BRD2, BD1) = 1.35 K, dTM(BRD3, BD1) = 1.55 K, dTM(BRD4, BD1) = 2.09 K, dTm(BRD4, BD2) = 0.58 K; In vitro follow-up (ITC): Kd(BRD4, BD1) = 5.6 µM, Kd(BRD4, BD2) = 20 µM; Screened in CEREP selectivity panel against 104 targets (nuclear receptors, ion channels, and 32 enzyme assays (including 10 kinases, 9 proteases, and 5 phosphodiesterases) at 10 µM, closest targets as % of inhibition: a1A (89%), M2 (67%);
Selectivity Source Knowledge
Compound image 
PFI-2
HMT
SETD7
IC50 = 2
EC50 < 10000
Epigenetic set
1 µM
Compound EUbOPEN ID
EUB0000196bCl
SMILES
Cl.O=C([C@@H](Cc1cccc(C(F)(F)F)c1)NS(=O)(=O)c1cc(F)c2c(c1)CCNC2)N1CCCC1
InChIKey
ZADKZNVAJGEFLC-ZMBIFBSDSA-N
NCBI gene ID
UniProt ID
Synonyms
KMT7, SET7, SET7/9, SET9
Mode of action
Inhibitor
Negative control
(S)-PFI-2
Affinity biochemical assay type
Scintillation proximity assay (SPA)
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
Immunoblot (increase in nuclear YAP levels by treatment of MEFs (from Setd7+/+ mice) with 10 µM PFI-2)
Selectivity platform
Methyltransferase panel, literature
Selectivity platform number of targets
19
Selectivity remarks
Screened at 50 µM, >1000-fold selective over other methyltransferases (G9a, EZH2, EHMT1, SUV39H2, EZH1, SUV420H1, SUV420H2, SETD8, SETD2, PRMT1, PRMT3, PRMT5, PRMT8, SETDB1, MLL1, DOT1L, WHSC1, SMYD2, DNMT1); Screened against 137 ion channels, GPCRs, and enzymes at 10 µM, closest targets: Ki(A2B) = 1.3 µM, Ki(BB3) = 8.1 µM, Ki(motilin) = 7.2 µM, Ki(KOP) = 3.8 µM
Selectivity Source Knowledge
Compound image 
SGC707
HMT
PRMT3@Methyltransferase
Kd = 85
IC50 = 91
Epigenetic set
1 µM
Compound EUbOPEN ID
EUB0000197b
SMILES
O=C(NCC(=O)N1CCCC1)Nc1ccc2cnccc2c1
InChIKey
DMIDPTCQPIJYFE-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Mode of action
Allosteric inhibitor
Negative control
XY1
Affinity biochemical assay type
SPR
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
Western Blot assay (measuring H4R3me2a levels in HEK293 cells co-transfected with FLAG tagged PRMT3 (wt))
Selectivity platform
Methyltransferase panel, literature
Selectivity platform number of targets
31
Selectivity remarks
Screened at 1 µM, 5 µM and 20 µM, closest target at 20 µM: METTL21a (60% of contr.); Selective against panel of 250 enzymes (kinases, GPCRs, ion channels, transporters) at 10 µM, closest targets as % of contr.: 5HT2B (69%, Ki >15 µM), BRSK1 (56%), DLK1 (60%), MSK2 (55%), PKG2 (58%), PRKX (61%);
Selectivity Source Knowledge
Compound image 
GSK591
HMT
PRMT5
IC50 = 4
IC50 = 3
Epigenetic set
1 µM
Compound EUbOPEN ID
EUB0000198b
SMILES
O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1ccnc(NC2CCC2)c1
InChIKey
TWKYXZSXXXKKJU-FQEVSTJZSA-N
NCBI gene ID
UniProt ID
Synonyms
HRMT1L5, HSL7, IBP72, JBP1, SKB1, SKB1Hs
Mode of action
Inhibitor
Negative control
SGC2096
Affinity biochemical assay type
HTRF assay (monomethylation of H4R3 on a histone H4 peptide by PRMT5:MEP50)
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
In-Cell Western (ICW) format assay (inhibition of symmetric arginine methylation of SmD3 in Z-138 cells)
Selectivity platform
Methyltransferase panel, literature
Selectivity platform number of targets
32
Selectivity remarks
Screened at 1 and 10 µM, closest target NSD3 (75% at 10 µM), GSK591 is highly selective
Selectivity Source Knowledge
Compound image 
PFI-3
Bromodomain
PBRM1@BRD
Kd = 48
EC50 < 1000
Epigenetic set
1 µM
Compound EUbOPEN ID
EUB0000199c
SMILES
O=C(/C=C/N1C[C@H]2C[C@@H]1CN2c1ccccn1)c1ccccc1O
InChIKey
INAICWLVUAKEPB-QSTFCLMHSA-N
NCBI gene ID
UniProt ID
Synonyms
BAF180, PB1
Mode of action
Inhibitor
Negative control
PFI-3oMet
Affinity biochemical assay type
ITC
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
FRAP assay in U2OS cells full-length PB1 protein
Selectivity platform
Bromodomain panel, literature
Selectivity platform number of targets
48
Selectivity remarks
Screened in DSF assay at 10 µM, dTm(PBRM1,BD5) = 9.1 K, dTm(SMARCA2) = 8.2 K, dTM(SMARCA4) = 7.0 K, other targets dTm <1 K; Screened in CEREP panel against 102 cellular receptors and 30 enzymes, closest targets: IC50(A1A) = 0.44 µM, IC50(A1B) = 3.6 µM, IC50(kKOP) = 13 µM, IC50(5-HAT2B) = 4.0 µM;
Selectivity Source Knowledge
Compound image 
PFI-3
Bromodomain
SMARCA2@BRD
Kd = 89
EC50 < 1000
Epigenetic set
1 µM
Compound EUbOPEN ID
EUB0000199c
SMILES
O=C(/C=C/N1C[C@H]2C[C@@H]1CN2c1ccccn1)c1ccccc1O
InChIKey
INAICWLVUAKEPB-QSTFCLMHSA-N
NCBI gene ID
UniProt ID
Synonyms
BAF190, hSNF2a, hBRM, Sth1p, SNF2LA, BRM, SNF2, SWI2
Mode of action
Inhibitor
Negative control
PFI-3oMet
Affinity biochemical assay type
ITC
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
FRAP assay in U2OS cells full-length SMARCA2 protein
Selectivity platform
Bromodomain panel, literature
Selectivity platform number of targets
48
Selectivity remarks
Screened in DSF assay at 10 µM, dTm(PBRM1,BD5) = 9.1 K, dTm(SMARCA2) = 8.2 K, dTM(SMARCA4) = 7.0 K, other targets dTm <1 K; Screened in CEREP panel against 102 cellular receptors and 30 enzymes, closest targets: IC50(A1A) = 0.44 µM, IC50(A1B) = 3.6 µM, IC50(kKOP) = 13 µM, IC50(5-HAT2B) = 4.0 µM;
Selectivity Source Knowledge
Compound image 
PFI-3
Bromodomain
SMARCA4@BRD
EC50 < 1000
Epigenetic set
1 µM
Compound EUbOPEN ID
EUB0000199c
SMILES
O=C(/C=C/N1C[C@H]2C[C@@H]1CN2c1ccccn1)c1ccccc1O
InChIKey
INAICWLVUAKEPB-QSTFCLMHSA-N
NCBI gene ID
UniProt ID
Synonyms
hSNF2b, BRG1, BAF190, SNF2, SWI2, SNF2-BETA, SNF2LB, FLJ39786
Mode of action
Inhibitor
Negative control
PFI-3oMet
Affinity on-target cellular assay type
FRAP assay in U2OS cells full-length SMARCA4 protein
Selectivity platform
Bromodomain panel, literature
Selectivity platform number of targets
48
Selectivity remarks
Screened in DSF assay at 10 µM, dTm(PBRM1,BD5) = 9.1 K, dTm(SMARCA2) = 8.2 K, dTM(SMARCA4) = 7.0 K, other targets dTm <1 K; Screened in CEREP panel against 102 cellular receptors and 30 enzymes, closest targets: IC50(A1A) = 0.44 µM, IC50(A1B) = 3.6 µM, IC50(kKOP) = 13 µM, IC50(5-HAT2B) = 4.0 µM;
Selectivity Source Knowledge
Compound image 
(-)-JQ1
Bromodomain
BRD2@BD1
Negative Control
Epigenetic set
1 µM
Compound EUbOPEN ID
EUB0000200b
SMILES
Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@H](CC(=O)OC(C)(C)C)c1nnc(C)n1-2
InChIKey
DNVXATUJJDPFDM-QGZVFWFLSA-N
NCBI gene ID
UniProt ID
Synonyms
KIAA9001, RING3, D6S113E, NAT, FSRG1
Mode of action
Negative control for (+)-JQ1
Affinity Biochemical Source Knowledge
Selectivity platform
Bromodomain panel (DSF assays, literature)
Selectivity platform number of targets
37
Selectivity remarks
Screened at 10 µM in DSF-assay, closest target: dTm(CREBBP) = 1.18 K;
Selectivity Source Knowledge
Compound image 
(-)-JQ1
Bromodomain
BRD2@BD2
Negative Control
Epigenetic set
1 µM
Compound EUbOPEN ID
EUB0000200b
SMILES
Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@H](CC(=O)OC(C)(C)C)c1nnc(C)n1-2
InChIKey
DNVXATUJJDPFDM-QGZVFWFLSA-N
NCBI gene ID
UniProt ID
Synonyms
KIAA9001, RING3, D6S113E, NAT, FSRG1
Mode of action
Negative control for (+)-JQ1
Affinity Biochemical Source Knowledge
Selectivity platform
Bromodomain panel (DSF assays, literature)
Selectivity platform number of targets
37
Selectivity remarks
Screened at 10 µM in DSF-assay, closest target: dTm(CREBBP) = 1.18 K;
Selectivity Source Knowledge
Compound image 
(-)-JQ1
Bromodomain
BRD3@BD1
Negative Control
Epigenetic set
1 µM
Compound EUbOPEN ID
EUB0000200b
SMILES
Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@H](CC(=O)OC(C)(C)C)c1nnc(C)n1-2
InChIKey
DNVXATUJJDPFDM-QGZVFWFLSA-N
NCBI gene ID
UniProt ID
Synonyms
RING3L, ORFX, KIAA0043
Mode of action
Negative control for (+)-JQ1
Affinity Biochemical Source Knowledge
Selectivity platform
Bromodomain panel (DSF assays, literature)
Selectivity platform number of targets
37
Selectivity remarks
Screened at 10 µM in DSF-assay, closest target: dTm(CREBBP) = 1.18 K;
Selectivity Source Knowledge
Compound image 
(-)-JQ1
Bromodomain
BRD3@BD2
Negative Control
Epigenetic set
1 µM
Compound EUbOPEN ID
EUB0000200b
SMILES
Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@H](CC(=O)OC(C)(C)C)c1nnc(C)n1-2
InChIKey
DNVXATUJJDPFDM-QGZVFWFLSA-N
NCBI gene ID
UniProt ID
Synonyms
RING3L, ORFX, KIAA0043
Mode of action
Negative control for (+)-JQ1
Affinity Biochemical Source Knowledge
Selectivity platform
Bromodomain panel (DSF assays, literature)
Selectivity platform number of targets
37
Selectivity remarks
Screened at 10 µM in DSF-assay, closest target: dTm(CREBBP) = 1.18 K;
Selectivity Source Knowledge
Compound image 
(-)-JQ1
Bromodomain
BRD4@BD1
Negative Control
Epigenetic set
1 µM
Compound EUbOPEN ID
EUB0000200b
SMILES
Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@H](CC(=O)OC(C)(C)C)c1nnc(C)n1-2
InChIKey
DNVXATUJJDPFDM-QGZVFWFLSA-N
NCBI gene ID
UniProt ID
Synonyms
HUNKI, MCAP, CAP, HUNK1
Mode of action
Negative control for (+)-JQ1
Affinity Biochemical Source Knowledge
Selectivity platform
Bromodomain panel (DSF assays, literature)
Selectivity platform number of targets
37
Selectivity remarks
Screened at 10 µM in DSF-assay, closest target: dTm(CREBBP) = 1.18 K;
Selectivity Source Knowledge
Compound image 
(-)-JQ1
Bromodomain
BRD4@BD2
Negative Control
Epigenetic set
1 µM
Compound EUbOPEN ID
EUB0000200b
SMILES
Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@H](CC(=O)OC(C)(C)C)c1nnc(C)n1-2
InChIKey
DNVXATUJJDPFDM-QGZVFWFLSA-N
NCBI gene ID
UniProt ID
Synonyms
HUNKI, MCAP, CAP, HUNK1
Mode of action
Negative control for (+)-JQ1
Affinity Biochemical Source Knowledge
Selectivity platform
Bromodomain panel (DSF assays, literature)
Selectivity platform number of targets
37
Selectivity remarks
Screened at 10 µM in DSF-assay, closest target: dTm(CREBBP) = 1.18 K;
Selectivity Source Knowledge
Compound image 
(-)-JQ1
Bromodomain
BRDT@BD1
Negative Control
Epigenetic set
1 µM
Compound EUbOPEN ID
EUB0000200b
SMILES
Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@H](CC(=O)OC(C)(C)C)c1nnc(C)n1-2
InChIKey
DNVXATUJJDPFDM-QGZVFWFLSA-N
NCBI gene ID
UniProt ID
Synonyms
BRD6, CT9
Mode of action
Negative control for (+)-JQ1
Affinity Biochemical Source Knowledge
Selectivity platform
Bromodomain panel (DSF assays, literature)
Selectivity platform number of targets
37
Selectivity remarks
Screened at 10 µM in DSF-assay, closest target: dTm(CREBBP) = 1.18 K;
Selectivity Source Knowledge
Compound image 
(-)-JQ1
Bromodomain
BRDT@BD2
Negative Control
Epigenetic set
1 µM
Compound EUbOPEN ID
EUB0000200b
SMILES
Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@H](CC(=O)OC(C)(C)C)c1nnc(C)n1-2
InChIKey
DNVXATUJJDPFDM-QGZVFWFLSA-N
NCBI gene ID
UniProt ID
Synonyms
BRD6, CT9
Mode of action
Negative control for (+)-JQ1
Affinity Biochemical Source Knowledge
Selectivity platform
Bromodomain panel (DSF assays, literature)
Selectivity platform number of targets
37
Selectivity remarks
Screened at 10 µM in DSF-assay, closest target: dTm(CREBBP) = 1.18 K;
Selectivity Source Knowledge
Compound image 
NVS-CECR2-1
Bromodomain
CECR2@BRD
Kd = 80
IC50 = 255
Epigenetic set
1 µM
Compound EUbOPEN ID
EUB0000201c
SMILES
CCCS(=O)(=O)c1nc(NC2CC2)cc(-c2ccc3c(ccn3C3CC(C)(C)NC(C)(C)C3)c2)n1
InChIKey
XVECNLUKQDKOST-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
KIAA1740
Mode of action
Inhibitor
Negative control
NVS-CECR2-C
Affinity biochemical assay type
ITC
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
NanoBRET assay (dose-dependent displacement from histone H3.3 in HEK293T cells)
Selectivity platform
Bromodomain panel, literature
Selectivity platform number of targets
48
Selectivity remarks
DSF-assay, dTm(CECR2) = 12.52 K, closest targets, dTM 1-2 K: BRD4(BD2), BRD7, FALZ, SMARCA4, TAF1 (BD2);
Selectivity Source Knowledge
Compound image 
NI-57
Bromodomain
BRPF1@BRD
IC50 = 114
IC50 = 70
Epigenetic set
1 µM
Compound EUbOPEN ID
EUB0000205c
SMILES
COc1cc(C#N)ccc1S(=O)(=O)Nc1ccc2c(c1)cc(C)c(=O)n2C
InChIKey
UEMQPCYDWCSVCU-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
BR140
Mode of action
Inhibitor
Negative control
NI-198
Affinity biochemical assay type
AlphaScreen
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
NanoBRET assay (HEK293T cells)
Selectivity platform
Bromodomain panel, literature
Selectivity platform number of targets
47
Selectivity remarks
No targets confirmed outside BRD family; Screened in BROMOscan panel against 46 targets, closest target: IC50(TRIM24) = 1600 nM, 500-fold selective; Clean profile in CEREP screen against 55 ligand receptors, ion channels and transporters, at 10 µM
Selectivity Source Knowledge
Compound image 
NI-57
Bromodomain
BRD1@BRD
IC50 = 619
Epigenetic set
1 µM
Compound EUbOPEN ID
EUB0000205c
SMILES
COc1cc(C#N)ccc1S(=O)(=O)Nc1ccc2c(c1)cc(C)c(=O)n2C
InChIKey
UEMQPCYDWCSVCU-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
BRL, BRPF2
Mode of action
Inhibitor
Negative control
NI-198
Affinity biochemical assay type
AlphaScreen
Affinity Biochemical Source Knowledge
Selectivity platform
Bromodomain panel, literature
Selectivity platform number of targets
47
Selectivity remarks
No targets confirmed outside BRD family; Screened in BROMOscan panel against 46 targets, closest target: IC50(TRIM24) = 1600 nM, 500-fold selective; Clean profile in CEREP screen against 55 ligand receptors, ion channels and transporters, at 10 µM
Selectivity Source Knowledge
Compound image 
NI-57
Bromodomain
BRPF3@BRD
IC50 = 1010
Epigenetic set
1 µM
Compound EUbOPEN ID
EUB0000205c
SMILES
COc1cc(C#N)ccc1S(=O)(=O)Nc1ccc2c(c1)cc(C)c(=O)n2C
InChIKey
UEMQPCYDWCSVCU-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
KIAA1286
Mode of action
Inhibitor
Negative control
NI-198
Affinity biochemical assay type
AlphaScreen
Affinity Biochemical Source Knowledge
Selectivity platform
Bromodomain panel, literature
Selectivity platform number of targets
47
Selectivity remarks
No targets confirmed outside BRD family; Screened in BROMOscan panel against 46 targets, closest target: IC50(TRIM24) = 1600 nM, 500-fold selective; Clean profile in CEREP screen against 55 ligand receptors, ion channels and transporters, at 10 µM
Selectivity Source Knowledge
Compound image 
SGC-GAK-1
Protein Kinase
GAK
Kd = 1.9
IC50 = 120
Kinase set
1 µM
Compound EUbOPEN ID
EUB0000207b
SMILES
COc1cc(Nc2ccnc3ccc(Br)cc23)cc(OC)c1OC
InChIKey
AUOSKLDNVNGKRR-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
DNAJC26
Mode of action
Inhibitor
Negative control
SGC-GAK-1N
Affinity biochemical assay type
Competition binding assay (DiscoverX)
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
NanoBRET assay (HEK293T cells)
Selectivity platform
KinomeScan (DiscoverX)
Selectivity platform number of targets
468
Selectivity remarks
Screened at 1 µM, in vitro follow-up of closest targets: Kd(RIPK2) = 110 nM, Kd(ADCK3) = 190 nM, Kd(NLK) = 520 nM, Kd(ACVR1) = 980 nM; Cellular selectivity: IC50(RIPK2) = 360 nM (NanoBRET assay), others not tested;
Selectivity Source Knowledge
Compound image 
SGC-CBP30
Bromodomain
CREBBP@BRD
Kd = 21
Epigenetic set
1 µM
Compound EUbOPEN ID
EUB0000208c
SMILES
COc1ccc(CCc2nc3cc(-c4c(C)noc4C)ccc3n2C[C@H](C)N2CCOCC2)cc1Cl
InChIKey
GEPYBHCJBORHCE-SFHVURJKSA-N
NCBI gene ID
UniProt ID
Synonyms
RTS, CBP, KAT3A
Mode of action
Inhibitor
Negative control
BDOIA513
Affinity biochemical assay type
ITC
Affinity Biochemical Source Knowledge
Selectivity platform
Bromodomain panel, literature
Selectivity platform number of targets
45
Selectivity remarks
Screened at 10 µM in DSF assay, dTM (CREBBPA/EP300A) = 9.6/ 10.4 K, closest targets: dTM(BRD4) = 2.0 K, dTM(BRD3) = 1.9 K, dTm(BRD2) = 1.4 K, dTm (BRD3) = 1.2 K; Follow-up Kds via ITC: Kd(BRD4 at BD1/ BD2) = 0.854/ 4.88 µM, Ki(BRD3 at BD1/ BD2) = 1.09/ 2.19 µM, Kd(BRD2 at BD1/BD2) = 1.01/ 1.76 µM, Kd(BRD3 at BD1/BD2) = 1.09/ 2.19µM; Screened in CEREP panel against 104 receptors, ion channels and other enzymes, closest targets: Ki(alpha2A) = 570 nM, Ki(alpha2C) = 110 nM, Ki(PAF) = 540 nM;
Selectivity Source Knowledge
Compound image 
SGC-CBP30
Bromodomain
EP300@BRD
Kd = 38
Epigenetic set
1 µM
Compound EUbOPEN ID
EUB0000208c
SMILES
COc1ccc(CCc2nc3cc(-c4c(C)noc4C)ccc3n2C[C@H](C)N2CCOCC2)cc1Cl
InChIKey
GEPYBHCJBORHCE-SFHVURJKSA-N
NCBI gene ID
UniProt ID
Synonyms
p300, KAT3B
Mode of action
Inhibitor
Negative control
BDOIA513
Affinity biochemical assay type
ITC
Affinity Biochemical Source Knowledge
Selectivity platform
Bromodomain panel, literature
Selectivity platform number of targets
45
Selectivity remarks
Screened at 10 µM in DSF assay, dTM (CREBBPA/EP300A) = 9.6/ 10.4 K, closest targets: dTM(BRD4) = 2.0 K, dTM(BRD3) = 1.9 K, dTm(BRD2) = 1.4 K, dTm (BRD3) = 1.2 K; Follow-up Kds via ITC: Kd(BRD4 at BD1/ BD2) = 0.854/ 4.88 µM, Ki(BRD3 at BD1/ BD2) = 1.09/ 2.19 µM, Kd(BRD2 at BD1/BD2) = 1.01/ 1.76 µM, Kd(BRD3 at BD1/BD2) = 1.09/ 2.19µM; Screened in CEREP panel against 104 receptors, ion channels and other enzymes, closest targets: Ki(alpha2A) = 570 nM, Ki(alpha2C) = 110 nM, Ki(PAF) = 540 nM;
Selectivity Source Knowledge
Compound image 
UNC1999
HMT
EZH1@Methyltransferase
IC50 = 45
Epigenetic set
1 µM
Compound EUbOPEN ID
EUB0000209b
SMILES
CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccc(N3CCN(C(C)C)CC3)nc2)cc2c1cnn2C(C)C
InChIKey
DPJNKUOXBZSZAI-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
KIAA0388, KMT6B
Mode of action
Inhibitor
Negative control
UNC2400
Affinity biochemical assay type
Radiometric kinase assay
Affinity Biochemical Source Knowledge
Selectivity platform
HMT panel, literature
Selectivity platform number of targets
16
Selectivity remarks
Selective over 15 other lysine, arginine, and DNA methyltransferases; Less than 20% inhibition on 50 kinase targets at 10 µM; Tested in PDSP screen: less than 50% inhibition on 40 7TM targets at 10 µM, greater than 50% inhibition of 4 7TM targets at 10 µM, closest targets: Ki(H3) = 300 nM, Ki(NET) = 1500nM, Ki(Sigma 1) =4700 nM, Ki(Sigma 2) = 65 nM (Radioligand binding assay);
Selectivity Source Knowledge
Compound image 
UNC1999
HMT
EZH2@Methyltransferase
IC50 = 2
Epigenetic set
1 µM
Compound EUbOPEN ID
EUB0000209b
SMILES
CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccc(N3CCN(C(C)C)CC3)nc2)cc2c1cnn2C(C)C
InChIKey
DPJNKUOXBZSZAI-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
EZH1, ENX-1, KMT6, KMT6A
Mode of action
Inhibitor
Negative control
UNC2400
Affinity biochemical assay type
Radiometric kinase assay
Affinity Biochemical Source Knowledge
Selectivity platform
HMT panel, literature
Selectivity platform number of targets
16
Selectivity remarks
Selective over 15 other lysine, arginine, and DNA methyltransferases; Less than 20% inhibition on 50 kinase targets at 10 µM; Tested in PDSP screen: less than 50% inhibition on 40 7TM targets at 10 µM, greater than 50% inhibition of 4 7TM targets at 10 µM, closest targets: Ki(H3) = 300 nM, Ki(NET) = 1500nM, Ki(Sigma 1) =4700 nM, Ki(Sigma 2) = 65 nM (Radioligand binding assay);
Selectivity Source Knowledge
Compound image 
OICR-9429
E3
WDR5
Kd = 24
Epigenetic set
1 µM
Compound EUbOPEN ID
EUB0000211b
SMILES
CN1CCN(c2ccc(-c3cccc(CN4CCOCC4)c3)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CC1
InChIKey
DJOVLOYCGXNVPI-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
SWD3, CFAP89
Mode of action
Antagonist
Negative control
OICR-0547
Affinity biochemical assay type
Biacore
Affinity Biochemical Source Knowledge
Selectivity platform
Protein methyltransferase panel, literature
Selectivity platform number of targets
22
Selectivity remarks
Screened at 50 µM, >1000-fold selective (IC50 >50 µM); Screened against 8 Methyl-Lysine/Arginine binder (DSF assay), dTm(WDR5) = 18.1 K, closest target: dTm(TDRD3) = 1.8 K; Screened in CEREP panel against 215 targets (kinases, GPCRs, ion channels, transporters) at 1 µM: no kinase with >50% inhibition (IC50 >1 µM)
Selectivity Source Knowledge
Compound image 
A-366
HMT
EHMT1/GLP@Methyltransferase
IC50 = 38
Epigenetic set
1 µM
Compound EUbOPEN ID
EUB0000212b
SMILES
COc1cc2c(cc1OCCCN1CCCC1)N=C(N)C21CCC1
InChIKey
BKCDJTRMYWSXMC-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
Eu-HMTase1, FLJ12879, KIAA1876, bA188C12.1, KMT1D, FLJ40292
Mode of action
Inhibitor
Affinity biochemical assay type
Scintillation proximity assay (SPA)
Affinity Biochemical Source Knowledge
Selectivity platform
Methyltransferade panel, literature
Selectivity platform number of targets
21
Selectivity remarks
Selectivity on methyltransferases measured by scintillation proximity assay (SPA), selective <50 µM
Selectivity Source Knowledge
Compound image 
A-366
HMT
EHMT2/G9a@Methyltransferase
IC50 = 3
Epigenetic set
1 µM
Compound EUbOPEN ID
EUB0000212b
SMILES
COc1cc2c(cc1OCCCN1CCCC1)N=C(N)C21CCC1
InChIKey
BKCDJTRMYWSXMC-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
G9A, Em:AF134726.3, NG36/G9a, KMT1C
Mode of action
Inhibitor
Affinity biochemical assay type
Scintillation proximity assay (SPA)
Affinity Biochemical Source Knowledge
Selectivity platform
Methyltransferade panel, literature
Selectivity platform number of targets
21
Selectivity remarks
Selectivity on methyltransferases measured by scintillation proximity assay (SPA), selective <50 µM
Selectivity Source Knowledge
Compound image 
GSK-LSD1
KDM
KDM1A/LSD1@Demethylase
IC50 = 16
Other targets
100 nM
Compound EUbOPEN ID
EUB0000213bCl
SMILES
Cl.Cl.c1ccc([C@@H]2C[C@H]2NC2CCNCC2)cc1
InChIKey
PJFZOGMSPBHPNS-WICJZZOFSA-N
NCBI gene ID
UniProt ID
Synonyms
KIAA0601, BHC110, LSD1
Mode of action
Irreversible, mechanism based inhibitor
Affinity biochemical assay type
Enzyme inhibition assay
Affinity Biochemical Source Knowledge
Selectivity platform
CEREP ExpressProfile selectivity/specificity profile
Selectivity platform number of targets
55
Selectivity remarks
Screened against 55 human recombinant receptors at 10 µM, closest targets as % inhibition: 5-HT1A (49%), 5-HAT (74%), dopamine transporter (39%); Screened against 45 other enzymes (GPCRs, kinases, transporters, ion channels, nuclear receptors), >1000-fold selective over other closely related FAD utilizing enzymes (i.e. LSD2, MAO-A, MAO-B)
Selectivity Source Knowledge
Compound image 
UNC1215
MBT
L3MBTL3@MBT1
IC50 = 40
Epigenetic set
1 µM
Compound EUbOPEN ID
EUB0000214b
SMILES
O=C(c1ccc(C(=O)N2CCC(N3CCCC3)CC2)c(Nc2ccccc2)c1)N1CCC(N2CCCC2)CC1
InChIKey
PQOOIERVZAXHBP-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
KIAA1798
Mode of action
Antagonist
Negative control
UNC1079
Affinity biochemical assay type
AlphaScreen assay
Affinity Biochemical Source Knowledge
Selectivity platform
Kme reader domain panel, literature
Selectivity platform number of targets
200
Selectivity remarks
Selective; <50% inhibition at 250 mM against 10 HMT targets; >50-fold selective against other members of human MBT family: IC50(L3MBTL1) = 2 µM, IC50(L3MBTL4) = 11 µM, IC50(SFMBT) >30 µM, IC50(MBTD1) = 6 µM (Alphascreen assay); Histone demethylases: < 50% inhibition at 10 mM versus 35 targets; Bromodomains: Tm shift < 0.5 °C at 10 mM versus 12 targets (DSF assay); Kinases: < 15% inhibition at 10 mM versus 49 kinases, closest target as % of contr.: FLT3 (64%); NIMH Psychoactive Drug Screening Program Selectivity Panel (Radioligand binding assay): Ki(M1) = 97 nM, Ki(M2) = 72 nM, Ki(M3) = 890 nM, Ki(M4) = 400 nM, Ki(M5) = 4.3 µM, Ki(Alpha 2C) = 860 nM
Selectivity Source Knowledge
Compound image 
GSK343
HMT
EZH2@Methyltransferase
Ki,app = 1.2
IC50 = 174
Epigenetic set
1 µM
Compound EUbOPEN ID
EUB0000215b
SMILES
CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccnc(N3CCN(C)CC3)c2)cc2c1cnn2C(C)C
InChIKey
ULNXAWLQFZMIHX-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
EZH1, ENX-1, KMT6, KMT6A
Mode of action
Inhibitor
Affinity biochemical assay type
Enzyme inhibition assay
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
Immunofluorescence (inhibition of H3K27 methylation in HCC1806 cells)
Selectivity platform
Methyltransferase panel (HotSpot screen, Reaction Biology)
Selectivity platform number of targets
19
Selectivity remarks
Selective over other methyltransferases (radioisotope-based filter binding assays), closest target: IC50(EZH1) = 240 nM, others <60 µM; Screened against 44 receptors and enzymes (internal screening at GSK), closest target: IC50(A1b) = 10 µM, others >10 µM, >100-fold selective
Selectivity Source Knowledge
Compound image 
SGC0946
HMT
DOT1L@Methyltransferase
IC50 = 0.3
IC50 = 2.6
Epigenetic set
1 µM
Compound EUbOPEN ID
EUB0000216b
SMILES
CC(C)N(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)C[C@H]1O[C@@H](n2cc(Br)c3c(N)ncnc32)[C@H](O)[C@@H]1O
InChIKey
IQCKJUKAQJINMK-HUBRGWSESA-N
NCBI gene ID
UniProt ID
Synonyms
KIAA1814, DOT1, KMT4
Mode of action
Inhibitor
Negative control
SGC0649
Affinity biochemical assay type
Radioactive enzyme assay
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
Westen Blot (reduction of H3K79 dimethylation in A431 cells by DOT1L)
Selectivity platform
Methyltransferase panel, literature
Selectivity platform number of targets
12
Selectivity remarks
Screened against G9a, EHMT1, PRMT3/5, SETDB1, SETD7/8, MLL, EZH2, SUV39H2, SUV420H2; Clean profile in Ricerca selectivity panel at 1 µM against 29 diverse receptors
Selectivity Source Knowledge
Compound image 
GSK-J4
KDM
KDM6A/UTX@Demethylase
IC50 = 6600
Other targets
100 nM
Compound EUbOPEN ID
EUB0000217b
SMILES
CCOC(=O)CCNc1cc(N2CCc3ccccc3CC2)nc(-c2ccccn2)n1
InChIKey
WBKCKEHGXNWYMO-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Mode of action
Pro-drug of GSK-J1
Negative control
GSK-J5
Affinity biochemical assay type
AlphaLISA based assay
Affinity Biochemical Source Knowledge
Compound image 
L-Moses
Bromodomain
KAT2B@BRD
IC50 = 48
IC50 = 660
Epigenetic set
1 µM
Compound EUbOPEN ID
EUB0000218c
SMILES
Cc1nnc2c3ccccc3c(N[C@@H](C)[C@H](c3ccccc3)N(C)C)nn12
InChIKey
MSFPLTWUFWOKBX-IFXJQAMLSA-N
NCBI gene ID
UniProt ID
Synonyms
P/CAF, GCN5, GCN5L
Mode of action
Inhibitor
Negative control
D-Moses
Affinity biochemical assay type
BROMOscan assay (DiscoverX)
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
Competing pull-down assay (full-length PCAF from cell lysates using immobilized L-Moses)
Selectivity platform
Bromodomain panel, literature
Selectivity platform number of targets
48
Selectivity remarks
Screened in DSF assay at 10 µM: highly selective, other targets <2 K; Screened against 130 enzymes (GPCR panel and Eurofins panel) at 10 µM, closest targets: opioid receptors, Ki(MU) = 100 nM, Ki(OPRL1) = 840 nM, Ki(kappa) = 1100 nM, and 5-HAT transporter, Ki = 220 nM
Selectivity Source Knowledge
Compound image 
L-Moses
Bromodomain
KAT2A@BRD
IC50 = 220
IC50 = 220
Epigenetic set
1 µM
Compound EUbOPEN ID
EUB0000218c
SMILES
Cc1nnc2c3ccccc3c(N[C@@H](C)[C@H](c3ccccc3)N(C)C)nn12
InChIKey
MSFPLTWUFWOKBX-IFXJQAMLSA-N
NCBI gene ID
UniProt ID
Synonyms
GCN5, PCAF-b
Mode of action
Inhibitor
Negative control
D-Moses
Affinity biochemical assay type
BROMOscan assay (DiscoverX)
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
Competing pull-down assay (full-length GCN5 from cell lysates using immobilized L-Moses)
Selectivity platform
Bromodomain panel, literature
Selectivity platform number of targets
48
Selectivity remarks
Screened in DSF assay at 10 µM: highly selective, other targets <2 K; Screened against 130 enzymes (GPCR panel and Eurofins panel) at 10 µM, closest targets: opioid receptors, Ki(MU) = 100 nM, Ki(OPRL1) = 840 nM, Ki(kappa) = 1100 nM, and 5-HAT transporter, Ki = 220 nM
Selectivity Source Knowledge
Compound image 
BAY-6035
HMT
SMYD3@Methyltransferase
IC50 = 88
Epigenetic set
1 µM
Compound EUbOPEN ID
EUB0000221b
SMILES
C[C@H]1CC(=O)Nc2cc(C(=O)NCCC3CC3)ccc2N1C(=O)N1CC2CC2C1
InChIKey
CKFRXCBNKKOFGO-IGEOTXOUSA-N
NCBI gene ID
UniProt ID
Synonyms
KMT3E
Mode of action
Peptide-competitive inhibitor
Negative control
BAY-444
Affinity biochemical assay type
Scintillation proximity assay (SPA)
Affinity Biochemical Source Knowledge
Selectivity platform
Methyltransferase panel, literature
Selectivity platform number of targets
34
Selectivity remarks
Screened at 1 µM and 10 µM, highly selective for SMYD3 with no activity on other methyltransferases; Screened against 31 kinases in enzyme assays, closest target T-Fyn (HTRF assay) = 5.71 µM, others >20 µM;
Selectivity Source Knowledge
Compound image 
GSK2801
Bromodomain
BAZ2A@BRD
IC50 = 400
Kd = 3981
Epigenetic set
1 µM
Compound EUbOPEN ID
EUB0000222b
SMILES
CCCOc1ccn2c(C(C)=O)cc(-c3ccccc3S(C)(=O)=O)c2c1
InChIKey
KHWCPNJRJCNVRI-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
KIAA0314, TIP5, WALp3
Mode of action
Inhibitor
Negative control
GSK8573
Affinity biochemical assay type
AlphaScreen assay
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
Chemoproteomic competition binding assay (endogenous full-length BAZ2A from HuT78 extracts)
Selectivity platform
Bromodomain panel, literature
Selectivity platform number of targets
46
Selectivity remarks
Screened at 10 µM in DSF assays, dTm(BAZ2A) = 4.1 K, dTm(BAZ2B) = 2.7 K, closest targets: dTm(TAF1L) = 3.4 K, dTm(BRD9) = 2.3 K; In vitro follow up (biolayer interferometry experiment) at 0.2 µM: Kd(BAZ2B) = 0.1 µM, Kd(BRD9) = 1.2 µM, Kd(TAF1L) = 3.19 µM, (ITC experiment): Kd(TAF1L) = 3.2 µM, Kd(BRD9) = 1.1 µM; Screened in CEREP panel against 55 receptors and ion channels at 10 µM, closest target as % of contr.: Melatonin (MT-1) receptor(4%)
Selectivity Source Knowledge
Compound image 
GSK2801
Bromodomain
BAZ2B@BRD
IC50 = 430
Kd = 3162
Epigenetic set
1 µM
Compound EUbOPEN ID
EUB0000222b
SMILES
CCCOc1ccn2c(C(C)=O)cc(-c3ccccc3S(C)(=O)=O)c2c1
InChIKey
KHWCPNJRJCNVRI-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
WALp4
Mode of action
Inhibitor
Negative control
GSK8573
Affinity biochemical assay type
AlphaScreen assay
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
Chemoproteomic competition binding assay (endogenous full-length BAZ2B captured on the GSK2801 affinity matrix from HuT-78 cell lysate)
Selectivity platform
Bromodomain panel, literature
Selectivity platform number of targets
46
Selectivity remarks
Screened at 10 µM in DSF assays, dTm(BAZ2A) = 4.1 K, dTm(BAZ2B) = 2.7 K, closest targets: dTm(TAF1L) = 3.4 K, dTm(BRD9) = 2.3 K; In vitro follow up (biolayer interferometry experiment) at 0.2 µM: Kd(BAZ2B) = 0.1 µM, Kd(BRD9) = 1.2 µM, Kd(TAF1L) = 3.19 µM, (ITC experiment): Kd(TAF1L) = 3.2 µM, Kd(BRD9) = 1.1 µM; Screened in CEREP panel against 55 receptors and ion channels at 10 µM, closest target as % of contr.: Melatonin (MT-1) receptor(4%)
Selectivity Source Knowledge
Compound image 
GSK6853
Bromodomain
BRPF1@BRD
IC50 = 7.9
IC50 = 20
Epigenetic set
1 µM
Compound EUbOPEN ID
EUB0000224d
SMILES
COc1ccccc1C(=O)Nc1cc2c(cc1N1CCCC1)n(C)c(=O)n2C
InChIKey
QCIJLRJBZDBVDB-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
BR140
Mode of action
Inhibitor
Negative control
GSK9311
Affinity biochemical assay type
TR-FRET assay
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
NanoBRET assay (HEK293T cells)
Selectivity platform
BROMOscan™ panel (DiscoverX)
Selectivity platform number of targets
35
Selectivity remarks
>1600-fold selective, closest targets: pKd(BRPF2/BRD2) = 6.29, pKd(BRPF3) = 6.00, pKd(BRD9) = 6.00, pKd(BRD7) = 6.09; Screened against 48 ion channels, GPCRs and other enzymes, all pXC50 <5, compound is highly selective;
Selectivity Source Knowledge
Compound image 
PFI-4
Bromodomain
BRPF1@BRD
Kd = 13
IC50 = 242
Epigenetic set
1 µM
Compound EUbOPEN ID
EUB0000224e
SMILES
COc1ccccc1C(O)=Nc1cc2c(cc1N1CCCC1)n(C)c(=O)n2C
InChIKey
QCIJLRJBZDBVDB-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
BR140
Mode of action
Inhibitor
Affinity biochemical assay type
ITC
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
NanoBRET assay (HEK293T cells)
Selectivity platform
Bromodomain panel, literature
Selectivity platform number of targets
48
Selectivity remarks
Screened in DSF assay at 10 µM, closest target: dTm(CECR2) = 2 K, follow up in Alpha Screen: IC50(CECR2) = 2.32 µM
Selectivity Source Knowledge
Compound image 
PFI-4
Bromodomain
BRD1@BRD
Kd = 775
Epigenetic set
1 µM
Compound EUbOPEN ID
EUB0000224e
SMILES
COc1ccccc1C(O)=Nc1cc2c(cc1N1CCCC1)n(C)c(=O)n2C
InChIKey
QCIJLRJBZDBVDB-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
BRL, BRPF2
Mode of action
Inhibitor
Affinity biochemical assay type
ITC
Affinity Biochemical Source Knowledge
Selectivity platform
Bromodomain panel, literature
Selectivity platform number of targets
48
Selectivity remarks
Screened in DSF assay at 10 µM, closest target: dTm(CECR2) = 2 K, follow up in Alpha Screen: IC50(CECR2) = 2.32 µM
Selectivity Source Knowledge
Compound image 
LLY-283
HMT
PRMT5
IC50 = 22
IC50 = 25
Epigenetic set
1 µM
Compound EUbOPEN ID
EUB0000226b
SMILES
Nc1ncnc2c1ccn2[C@@H]1O[C@H]([C@H](O)c2ccccc2)[C@@H](O)[C@H]1O
InChIKey
WWOOWAHTEXIWBO-QFRSUPTLSA-N
NCBI gene ID
UniProt ID
Synonyms
HRMT1L5, HSL7, IBP72, JBP1, SKB1, SKB1Hs
Mode of action
Inhibitor
Negative control
LLY-284
Affinity biochemical assay type
Radioactivity-based assay (measuring transfer of the methyl group from 3H-SAM to peptide substrate)
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
Western Blot (monitoring SmBB-Rme2s levels in MCF7 cells)
Selectivity platform
Methyltransferase panel, literature
Selectivity platform number of targets
32
Selectivity remarks
Screened at 1 µM and 10 µM, selective over other targets including closely related arginine methyltransferases PRMT4, PRMT6, PRMT7;
Selectivity Source Knowledge
Compound image 
SGC-GAK-1N
Protein Kinase
GAK
IC50 > 5000
Kinase set
1 µM
Compound EUbOPEN ID
EUB0000229b
SMILES
COc1cc(N(C)c2ccnc3ccc(C(F)(F)F)cc23)cc(OC)c1OC
InChIKey
PVTQCCFMFWASHK-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
DNAJC26
Mode of action
Negative control for SGC-GAK-1
Affinity on-target cellular assay type
NanoBRET assay (HEK293T cells)
Affinity on-target cellular source knowledge
Compound image 
TP-064
HMT
CARM1
IC50 < 10
IC50 = 43
Epigenetic set
1 µM
Compound EUbOPEN ID
EUB0000230b
SMILES
CNCCN1CCC(c2cc(CN(C)C(=O)c3cccc(Oc4ccccc4)c3)ccn2)CC1
InChIKey
VUIITYLFSAXKIQ-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
PRMT4
Mode of action
Inhibitor
Negative control
TP-064N
Affinity biochemical assay type
Scintillation proximity assay (SPA)
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
Western Blot (dimethylation of MED12, Med12me2a/Med12, in HEK293T cells)
Affinity on-target cellular source knowledge
Selectivity platform
Methyltransferase screen (Scintillation proximity assays)
Selectivity platform number of targets
32
Selectivity remarks
In-vitro potencies of closest targets: IC50(PRMT6) = 1.3 µM, IC50(PRMT8) = 8.1 µM, IC50(PRMT4) <0.01 µM, IC50(PRMT1) >10 µM, IC50(PRMT3) >10 µM, IC50(PRMT5) >10 µM, IC50(PRMT7) >10 µM, IC50(PRMT9) >10 µM, IC50(G9a) >10 µM, IC50(GLP) >10 µM, IC50(SETDB1) >10 µM, IC50(SUV39H1) >10 µM, IC50(SUV39H2) >10 µM, IC50(PRDM9) >10 µM, IC50(SETD) >10 µM, IC50(SETD7) >10 µM, IC50(MLL1) >10 µM, IC50(MLL3) >10 µM, IC50(SETD2) >10 µM, IC50(PRC2) >10 µM, IC50(SUV420H1) >10 µM, IC50(SUV420H2) >10 µM, IC50(SMYD2) >10 µM, IC50(SMYD3) >10 µM, IC50(DNMT1) >10 µM, IC50(DNMT3A/3L) >10 µM, IC50(DNMT3B/3L) >10 µM, IC50(NSD1) >10 µM, IC50(NSD2) >10 µM, IC50(NSD3) >10 µM, IC50(ASH1L) >10 µM, IC50(DOT1L) >10 µM
Selectivity Source Knowledge
Compound image 
TP-472
Bromodomain
BRD9@BRD
Kd = 33
EC50 = 320
Epigenetic set
1 µM
Compound EUbOPEN ID
EUB0000231c
SMILES
CC(=O)c1cc(-c2cc(C(=O)NC3CC3)ccc2C)c2ncccn12
InChIKey
RPBMXJHQYJLPDN-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
FLJ13441
Mode of action
Inhibitor
Negative control
TP-472N
Affinity biochemical assay type
ITC
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
NanoBRET assay (HEK293T cells)
Selectivity platform
Eurofins CEREP Diversity Profiling
Selectivity platform number of targets
96
Selectivity remarks
Screened against 71 receptors and ion channels and against 25 other enzymes at 10 µM, closest targets as % of contr.: Adenosine A1 receptor (14%), Benzodiazepine receptor (47%), PDE2A1 (h) (25%), PDE3A (h) (48%) and PDE4D2 (h) (28%); Selectivity >30 fold over all other bromodomain family members except BRD7: Kd(BRD7) = 340 nM (ITC)
Selectivity Source Knowledge
Compound image 
TH-257
Protein Kinase
LIMK1
IC50 = 84
IC50 = 250
Kinase set
1 µM
Compound EUbOPEN ID
EUB0000232b
SMILES
CCCCN(Cc1ccccc1)C(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1
InChIKey
VNCIWNGCMAKKEO-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
LIMK
Mode of action
Allosteric inhibitor
Negative control
TH-263
Affinity biochemical assay type
RapidFire MS assay
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
NanoBRET assay (HEK293T cells)
Selectivity platform
KinomeScan (DiscoverX)
Selectivity platform number of targets
448
Selectivity remarks
Screened at 1 µM, no significant activities below 50%
Selectivity Source Knowledge
Compound image 
TH-257
Protein Kinase
LIMK2
IC50 = 39
IC50 = 150
Kinase set
1 µM
Compound EUbOPEN ID
EUB0000232b
SMILES
CCCCN(Cc1ccccc1)C(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1
InChIKey
VNCIWNGCMAKKEO-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Mode of action
Allosteric inhibitor
Negative control
TH-263
Affinity biochemical assay type
RapidFire MS assay
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
NanoBRET assay (HEK293T cells)
Selectivity platform
KinomeScan (DiscoverX)
Selectivity platform number of targets
448
Selectivity remarks
Screened at 1 µM, no significant activities below 50%
Selectivity Source Knowledge
Compound image 
MRK-740
HMT
PRDM9
IC50 = 80
IC50 = 800
Epigenetic set
1 µM
Compound EUbOPEN ID
EUB0000234b
SMILES
COc1cc(OC)cc(-c2noc(N3CCN(C)C4(CCN(c5ccnc(C)c5)CC4)C3)n2)c1
InChIKey
NZYTZRHHBAJPKN-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
KMT8B, MEISETZ, MSBP3, PFM6, ZNF899
Mode of action
Inhibitor
Negative control
MRK-740-NC
Affinity biochemical assay type
Scintillation proximity assay (SPA)
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
Western Blot (inhibition of PRDM9-dependent trimethylation of ectopic H3K4 in HEK293T cells)
Selectivity platform
Methyltransferase panel, literature
Selectivity platform number of targets
45
Selectivity remarks
Screened in DSF assay at 10µM, dTm(PRDMT9) = 5.2K, closest target dTm(PRDMT7) = 5.0K; Screened against 108 enzymes and receptors (Eurofins Panlabs Discovery Services), closest targets>50% at 10µM: MOR, A2AB, M2, H3; In vitro follow up with GloSensor assay (PDSP screen): EC50>10µM for all targets
Selectivity Source Knowledge
Compound image 
SGC3027N
HMT
PRMT7
Negative Control
Epigenetic set
1 µM
Compound EUbOPEN ID
EUB0000236b
SMILES
CC1=C(C)C(=O)C(C(C)(C)CC(=O)N(CCCCSC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@@H]3OC(C)(C)O[C@H]23)Cc2cccc(-c3ccc(Cl)cc3)c2)=C(C)C1=O
InChIKey
FJBPSCVGHZASPG-LJVHFRCJSA-N
NCBI gene ID
UniProt ID
Synonyms
FLJ10640, KIAA1933
Mode of action
Negative control for SGC3027
Affinity Biochemical Source Knowledge
Compound image 
TL4-12
Protein Kinase
MAP4K2
IC50 = 37
Kinase set
1 µM
Compound EUbOPEN ID
EUB0000238b
SMILES
CNc1cc(Oc2cc(C(=O)Nc3cc(N4CCN(C)CC4)cc(C(F)(F)F)c3)ccc2C)ncn1
InChIKey
HXKJJIMUMNPQQY-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
GCK, BL44
Mode of action
Inhibitor
Affinity biochemical assay type
Enzymatic inhibition assay
Affinity Biochemical Source Knowledge
Selectivity platform
KiNativ profiling (A375 live cells treatment assays)
Selectivity platform number of targets
220
Selectivity remarks
Screened at 1 µM, closest targets as % inhibition: ABL1(49%) and ABL2 (49%);
Selectivity Source Knowledge
Compound image 
NVS-MALT1
Protease
MALT1
IC50 = 2.4
Other targets
1 µM
Compound EUbOPEN ID
EUB0000239b
SMILES
CO[C@@H](C)c1c(Nc2ccc([C@H](N(C)C(=O)C3CCS(=O)(=O)CC3)C(F)(F)F)cc2)cnc2cc(Cl)nn12
InChIKey
NVGROBHDOYRPAN-FPTDNZKUSA-N
NCBI gene ID
UniProt ID
Synonyms
MALT1, MLT
Mode of action
Allosteric inhibitor
Negative control
NVS-MALT1-C
Affinity biochemical assay type
TR-FRET assay (high salt)
Affinity Biochemical Source Knowledge
Selectivity platform
Protease assay, literature
Selectivity platform number of targets
16
Selectivity remarks
Screened at 10 µM, no cross reactivity among proteases owing to allosteric mechanism; Screened against 468 kinases(KinomeScan DiscoverX) at 1 µM, closest targets as % contr.: FLT3(N841I) (23%), CDK8 (39%), HIPK1 (40%), NEK3 (40%), MAST1 (43%), PIK3CA(E545K) (48%); Clean profile in screen against 45 GPCRs (PDSP screen) at 10 µM; Screened in kinase panel against 50 targets at 10 µM, closest targets: IC50(FLT3) = 3.5 µM; Screened against panel of 110 receptors, ion channels, enzymes and transporters, at 10 µM, closest target as % of inhibition: adenosine transporter AdT (52%);
Selectivity Source Knowledge
Compound image 
BAY-899
GPCR
LHCGR
IC50 = 185
GPCR set
1 µM
Compound EUbOPEN ID
EUB0000240b
SMILES
O=C(Nc1cnc(Oc2ccc(F)cc2)nc1)N1CCc2ncccc2[C@@H]1c1ccc(F)cc1
InChIKey
VKQBTIMLSDGNLG-QHCPKHFHSA-N
NCBI gene ID
UniProt ID
Synonyms
LHR, LCGR, LGR2, ULG5
Mode of action
Inhibitor
Negative control
BAY-897
Affinity on-target cellular assay type
Cell-based assay (LH Antagonism)
Selectivity platform
GPCR panel (Eurofins, Bayer)
Selectivity platform number of targets
25
Selectivity remarks
Screened at 10 µM, closest targets in the GPCR scan: Ki(SIGMAR1) = 1431.53 nM, Ki(TMEM97) = 2051.16 nM, Ki(OPRK1) = 7634.84 nM; hTSH antagonism: IC50 = 24 µM; hFSH antagonism: IC50 > 16 µM; Screened against 468 kinases (KinomeScan (DiscoverX)) at 1 µM, closest target as % of contr.: CDKL2 (33%)
Selectivity Source Knowledge
Compound image 
I-BRD9 (GSK602)
Bromodomain
BRD9@BRD
IC50 = 50.1
IC50 = 79.4
Epigenetic set
1 µM
Compound EUbOPEN ID
EUB0000247b
SMILES
CCn1cc(-c2cccc(C(F)(F)F)c2)c2sc(C(N)=NC3CCS(=O)(=O)CC3)cc2c1=O
InChIKey
WRUWGLUCNBMGPS-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
FLJ13441
Mode of action
Inhibitor
Affinity biochemical assay type
Time-Resolved FRET assay
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
Western Blot (chemoproteomic competition binding assay in HUT-78 cell lysate)
Selectivity platform
BROMOscan™ (DiscoverX)
Selectivity platform number of targets
34
Selectivity remarks
>70-fold selective over other bromodomains tested, closest targets: Kd(CECR2) = 140 nM, Kd(BRD7) = 390 nM, Kd(CREBBP) = 740 nM, Kd(EP300) = 770 nM, others >1.5 µM; Inactive against a panel of 49 human receptors, ion channels, kinases and other enzymes
Selectivity Source Knowledge
Compound image 
BAY-885
Protein Kinase
MAPK7
IC50 = 35
IC50 = 115
Kinase set
1 µM
Compound EUbOPEN ID
EUB0000250b
SMILES
CN1CCN(c2cnc3c(C4CCN(C(=O)c5ccc(OC(F)(F)F)cc5N)CC4)ncnc3c2)CC1
InChIKey
QXURFIGBRGWPQD-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
BMK1, ERK5
Mode of action
Inhibitor
Negative control
BAY-693
Affinity biochemical assay type
TR-FRET assay (250 µM ATP)
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
Cellular luciferase reporter assay (using the SN12C-MEF2-luc cell line and ONE-Glo)
Selectivity platform
KinomeScan (Eurofins)
Selectivity platform number of targets
358
Selectivity remarks
Screened at 1 µM, closest targets as % of contr.: FER (38%), EPHB3 (42%), EPHA5 (57%); Screened against 468 kinases (KinomeScan DiscoverX) at 1 µM, closest targets as % of contr.: EPHB6 (18%), EGFR(S752-I759del) (38%), LTK (49%); Screened against 45 GPCR targets (PDSP screen) at 10 µM, closest target: Ki(SIGMAR1) = 2.50 µM
Selectivity Source Knowledge
Compound image 
BAY-588
SLC
SLC2A1
Negative Control
Ion Channel
1 µM
Compound EUbOPEN ID
EUB0000251b
SMILES
Cc1c(NC(=O)c2cc(C(N)=O)nc3cc(F)ccc23)c(C(F)(F)F)nn1Cc1ccc(C(C)(C)C)cc1
InChIKey
DNGZBWVQLFNTRT-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
CSE DYT17 DYT18 DYT9 EIG12 GLUT GLUT-1 GLUT1 GLUT1DS HTLVR PED SDCHCN
Mode of action
Negative control for BAY-876
Affinity Biochemical Source Knowledge
Compound image 
MSD-M1PAM
GPCR
CHRM1
Potentiation inflection oint = 136
GPCR set
1 µM
Compound EUbOPEN ID
EUB0000252b
SMILES
N#CC1(c2ccccn2)CCN(Cc2cc(C(=O)O)c(=O)n3ccccc23)CC1
InChIKey
RJTJRVASUFIDQM-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Mode of action
Positive allosteric modulator
Negative control
CHRM1
Affinity on-target cellular assay type
Fold potentiation assay (addition of EC20 acetylcholine; in human M1 expressing Chinese hamster ovary (CHO) cells; using calcium mobilization readout on a fluorometric imaging plate reader (FLIPR384))
Selectivity platform
GPCR screen (PDSP)
Selectivity platform number of targets
45
Selectivity remarks
Screened at 10 µM, > 700-fold selective for CHRM2, CHRM3, CHRM4; Screened against 468 kinases (KinomeScan DiscoverX) at 1 µM, closest targets as % of contr.: PIK3CB (36%), TGFBR1 (41%), BLK (49%); Panlabs screen at 10 µM against 140 targets, closest target: IC50( PTPN2) = 10 µM;
Selectivity Source Knowledge
Compound image 
NVS-BPTF-1
Bromodomain
BPTF@BRD
Kd = 71
IC50 = 16
Epigenetic set
1 µM
Compound EUbOPEN ID
EUB0000253b
SMILES
Cc1c(Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2F)nc2ccc(-c3cnn(C4CC4)c3)cn2c1=O
InChIKey
JYTISQGEFSHUIR-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
FAC1, NURF301
Mode of action
Inhibitor
Negative control
NVS-BPTF-C
Affinity biochemical assay type
BioLayer Interferometry assay (BLI)
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
NanoBRET assay (HEK293T cells)
Selectivity platform
BROMOscan
Selectivity platform number of targets
32
Selectivity remarks
Screened at 1 µM, closest targets: Kd(CERC2) = 66 nM, Kd(GCN5L2) = 62 nM, Kd(PCAF) = 74 nM; Follow-up IC50s in cellular NanoBRET assay: IC50(CERC2/GCN5L2/PCAF) >10 µM; DSF screen against 48 human bromodomains, dTm(BPTF) = 6.16 K, closest targets: dTm(CERC2) = 2.48 K, dTm(BRD7) = 1.95 K, dTM(PCAF) = 1.53 K; Screened in NIBR principial panel against 12 GPCRs, 3 nuclear receptors, 3 transporters and 7 other enzymes, closest tagets: IC50(Ad3) = 4.9 µM, IC50(D3) = 3.5 µM, IC50(H3) = 4 µM, others >30 µM, Screened in NIBR kinase panel against 48 kinases, no target with IC50 <30 µM;
Selectivity Source Knowledge
Compound image 
NVS-BPTF-C
Bromodomain
BPTF@BRD
Negative Control
Epigenetic set
1 µM
Compound EUbOPEN ID
EUB0000254b
SMILES
Cc1c(Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2F)nc2ccc(Nc3cnn(C4CC4)c3)cn2c1=O
InChIKey
BFSKPRUNBBMNCF-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
FAC1, NURF301
Mode of action
Negative control for NVS-BPTF-1
Affinity Biochemical Source Knowledge
Compound image 
TP-064N
HMT
CARM1
IC50 = 2500
IC50 > 10000
Epigenetic set
1 µM
Compound EUbOPEN ID
EUB0000255b
SMILES
COCCN1CCC(c2cc(CN(C)C(=O)c3cccc(Oc4ccccc4)c3)ccn2)CC1
InChIKey
IQCHVVCQDZOLHI-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
PRMT4
Mode of action
Negative control for TP-064
Affinity biochemical assay type
Scintillation proximity assay (SPA)
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
Western Blot (dimethylation of MED12, Med12me2a/Med12, in HEK293T cells)
Affinity on-target cellular source knowledge
Selectivity platform
Methyltransferase screen (Scintillation proximity assays)
Selectivity platform number of targets
32
Selectivity remarks
In-vitro potencies of closest targets: IC50(PRMT6) = 1.3 µM, IC50(PRMT8) = 8.1 µM, IC50(PRMT4) <0.01 µM, IC50(PRMT1) >10 µM, IC50(PRMT3) >10 µM, IC50(PRMT5) >10 µM, IC50(PRMT7) >10 µM, IC50(PRMT9) >10 µM, IC50(G9a) >10 µM, IC50(GLP) >10 µM, IC50(SETDB1) >10 µM, IC50(SUV39H1) >10 µM, IC50(SUV39H2) >10 µM, IC50(PRDM9) >10 µM, IC50(SETD) >10 µM, IC50(SETD7) >10 µM, IC50(MLL1) >10 µM, IC50(MLL3) >10 µM, IC50(SETD2) >10 µM, IC50(PRC2) >10 µM, IC50(SUV420H1) >10 µM, IC50(SUV420H2) >10 µM, IC50(SMYD2) >10 µM, IC50(SMYD3) >10 µM, IC50(DNMT1) >10 µM, IC50(DNMT3A/3L) >10 µM, IC50(DNMT3B/3L) >10 µM, IC50(NSD1) >10 µM, IC50(NSD2) >10 µM, IC50(NSD3) >10 µM, IC50(ASH1L) >10 µM, IC50(DOT1L) >10 µM
Selectivity Source Knowledge
Compound image 
GSK4027
Bromodomain
KAT2B@BRD
Ki = 1.4
IC50 = 60
Epigenetic set
1 µM
Compound EUbOPEN ID
EUB0000256b
SMILES
CN1C[C@H](Nc2cnn(C)c(=O)c2Br)C[C@H](c2ccccc2)C1
InChIKey
VZAFGXCWAWRULT-UONOGXRCSA-N
NCBI gene ID
UniProt ID
Synonyms
P/CAF, GCN5, GCN5L
Mode of action
Inhibitor
Negative control
GSK4028
Affinity biochemical assay type
Bromoscan assay(DiscoverX)
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
NanoBRET assay (HEK293T cells)
Selectivity platform
BROMOscan panel (DiscoverX)
Selectivity platform number of targets
34
Selectivity remarks
Closest targets: Ki(BRPF3) = 100 nM, Kd(BRD1) = 110 nM, Kd(FALZ) = 130 nM, Kd(BRPF1) = 140 nM, Kd(BAZB) = 840 nM, Kd(BRD7) = 1500 nM, Kd(BRD9) = 1400 nM, others >20 µM; Screened against 50 receptors, ion channels and other enzymes (internal GSK panel), closest target: XC50(AChEase) = 3.2 µM, others >4 µM
Selectivity Source Knowledge
Compound image 
GSK4027
Bromodomain
KAT2A@BRD
Ki = 1.4
Epigenetic set
1 µM
Compound EUbOPEN ID
EUB0000256b
SMILES
CN1C[C@H](Nc2cnn(C)c(=O)c2Br)C[C@H](c2ccccc2)C1
InChIKey
VZAFGXCWAWRULT-UONOGXRCSA-N
NCBI gene ID
UniProt ID
Synonyms
GCN5, PCAF-b
Mode of action
Inhibitor
Negative control
GSK4028
Affinity biochemical assay type
Bromoscan assay(DiscoverX)
Affinity Biochemical Source Knowledge
Selectivity platform
BROMOscan panel (DiscoverX)
Selectivity platform number of targets
34
Selectivity remarks
Closest targets: Ki(BRPF3) = 100 nM, Kd(BRD1) = 110 nM, Kd(FALZ) = 130 nM, Kd(BRPF1) = 140 nM, Kd(BAZB) = 840 nM, Kd(BRD7) = 1500 nM, Kd(BRD9) = 1400 nM, others >20 µM; Screened against 50 receptors, ion channels and other enzymes (internal GSK panel), closest target: XC50(AChEase) = 3.2 µM, others >4 µM
Selectivity Source Knowledge
Compound image 
MS094
HMT
CARM1
Negative Control
Epigenetic set
1 µM
Compound EUbOPEN ID
EUB0000261b
SMILES
CC(C)Oc1ccc(-c2c[nH]cc2CN(C)CCO)cc1
InChIKey
GNAKYUUZAXUXKB-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
PRMT4
Mode of action
Negative control for MS023
Affinity Biochemical Source Knowledge
Compound image 
MS094
HMT
PRMT1
Negative Control
Epigenetic set
1 µM
Compound EUbOPEN ID
EUB0000261b
SMILES
CC(C)Oc1ccc(-c2c[nH]cc2CN(C)CCO)cc1
InChIKey
GNAKYUUZAXUXKB-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
HCP1, ANM1
Mode of action
Negative control for MS023
Affinity Biochemical Source Knowledge
Compound image 
MS094
HMT
PRMT3
Negative Control
Epigenetic set
1 µM
Compound EUbOPEN ID
EUB0000261b
SMILES
CC(C)Oc1ccc(-c2c[nH]cc2CN(C)CCO)cc1
InChIKey
GNAKYUUZAXUXKB-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Mode of action
Negative control for MS023
Affinity Biochemical Source Knowledge
Compound image 
MS094
HMT
PRMT8
Negative Control
Epigenetic set
1 µM
Compound EUbOPEN ID
EUB0000261b
SMILES
CC(C)Oc1ccc(-c2c[nH]cc2CN(C)CCO)cc1
InChIKey
GNAKYUUZAXUXKB-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Mode of action
Negative control for MS023
Affinity Biochemical Source Knowledge
Compound image 
A-1155463
Apoptosis regulator
BCL2L1
IC50 = 0.55
Other targets
1 µM
Compound EUbOPEN ID
EUB0000262b
SMILES
CN(C)CC#Cc1ccc(OCCCc2sc(N3CCc4cccc(C(=O)Nc5nc6ccccc6s5)c4C3)nc2C(=O)O)c(F)c1
InChIKey
SOYCFODXNRVBTI-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
BCL2L1, BCL2L, BCLX
Mode of action
Inhibitor
Negative control
A-1107969
Affinity biochemical assay type
TR-FRET assay
Affinity Biochemical Source Knowledge
Selectivity platform
CEREP panel (Eurofins)
Selectivity platform number of targets
71
Selectivity remarks
Screened at 10 µM (binding assay), closest targets as % inhibition: PPARG (99.1%), CCKAR (98.9%), UTS2R (94.9%), OPRD1 (77.9%), MAOA (74.5%), ADORA3 (71.6%), HRH1 (69.2%), PTGS2 (62.2%); Screened against 468 kinase targets (KinomeScan DiscoverX) at 1 µM, closest targets as % contr.: AURKC (9%), MARK3 (38%); Screened against 45 GPCR targets (PDSP screen) at 10 µM, closest targets: Ki(SIGMAR1) = 136.4 nM, Ki(GABA/PBR) = 793.96 nM, Ki(TMEM97) = 806.12 nM, Ki(HTR3A) = 1142.6 nM, Ki(HRH3) = 1806.76 nM, Ki(OPRD1) = 2118.36 nM; Screened in Eurofins-Cerep panel against 7 targets at 10 µM (enzymes and uptake assays): clean profile;
Selectivity Source Knowledge
Compound image 
A-1211212
Apoptosis regulator
BCL2
IC50 = 1.4
Other targets
1 µM
Compound EUbOPEN ID
EUB0000263b
SMILES
CO[C@H]1CC[C@H](CNc2ccc(S(=O)(=O)NC(=O)c3ccc(N4CCN(CC5=C(c6ccc(Cl)cc6)CC(C)(C)CC5)CC4)cc3Oc3cnc4[nH]ccc4c3)cc2[N+](=O)[O-])CC1
InChIKey
CSBKUBOVPUXFLO-MAVVKCOWSA-N
NCBI gene ID
UniProt ID
Synonyms
BCL2
Mode of action
Inhibitor
Negative control
A-1210227
Affinity biochemical assay type
TR-FRET assay
Affinity Biochemical Source Knowledge
Selectivity platform
CEREP panel (Eurofins)
Selectivity platform number of targets
71
Selectivity remarks
Screened at 10 µM (binding assays), closest targets as % inhibition: Ca2+ channel (L, dihydropyridine site); Screened against 468 kinases (KinomeScan DiscoverX) at 1 µM, closest targets as % of contr.: HIPK4 (4.4%), MAPK12 (47%); Screened against 45 GPCR targets (PDSP screen) at 10 µM, closest target: Ki(TMEM97) = 1491.08 nM; Screened in Eurofins-Cerep panel against 7 targets at 10 µM (enzymes and uptake assays): clean profile;
Selectivity Source Knowledge
Compound image 
A-1596584
ABC transporter
CFTR
Negative Control
Ion Channel
1 µM
Compound EUbOPEN ID
EUB0000264b
SMILES
COc1ccc2c(c1)O[C@H](C[C@H]2NC(C1(CC1)c1ccc2c(c1)OC(O2)(F)F)=O)c1ccc(c(c1)OC)OC
InChIKey
KDOQEEMQPHIANX-NFBKMPQASA-N
NCBI gene ID
UniProt ID
Synonyms
CFTR, ABCC7
Mode of action
Negative control for A-1596586
Affinity Biochemical Source Knowledge
Compound image 
GSK-J5
KDM
KDM6A/UTX@Demethylase
Negative Control
Other targets
100 nM
Compound EUbOPEN ID
EUB0000265b
SMILES
CCOC(=O)CCNc1cc(N2CCc3ccccc3CC2)nc(-c2cccnc2)n1
InChIKey
LQPGVGSKBNXQDU-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Mode of action
Negative control for GSK-J5
Affinity Biochemical Source Knowledge
Compound image 
GSK8573
Bromodomain
BAZ2B@BRD
Negative Control
Epigenetic set
1 µM
Compound EUbOPEN ID
EUB0000267b
SMILES
CCCOc1ccn2c(C(C)=O)cc(-c3cccc(OC)c3)c2c1
InChIKey
QQBGNWWJANJWNY-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
WALp4
Mode of action
Negative control for GSK2801
Affinity Biochemical Source Knowledge
Compound image 
GSK8573
Bromodomain
BAZ2A@BRD
Negative Control
Epigenetic set
1 µM
Compound EUbOPEN ID
EUB0000267b
SMILES
CCCOc1ccn2c(C(C)=O)cc(-c3cccc(OC)c3)c2c1
InChIKey
QQBGNWWJANJWNY-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
KIAA0314, TIP5, WALp3
Mode of action
Negative control for GSK2801
Affinity Biochemical Source Knowledge
Compound image 
BI-9466
HMT
NSD3@PWWP1
IC50 = 120000
IC50 > 10000
Epigenetic set
1 µM
Compound EUbOPEN ID
EUB0000270b
SMILES
Cc1cc(CN)cc(C)c1-c1ncn(C)c1-c1cncn1C
InChIKey
SFZHMKDAVPIXRB-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
FLJ20353, WHISTLE, KMT3F
Mode of action
Negative control for BI-9321
Affinity biochemical assay type
TR-FRET binding assay (NSD3-PWWP1)
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
NanoBRET assay (Nluc-NSD3-PWWP1 fusion protein in U2OS cells)
Affinity on-target cellular source knowledge
Selectivity platform
PWWP, WD40, and Tudor domain panel (DSLS measurements, literature)
Selectivity platform number of targets
20
Selectivity remarks
Screened at 500 µM against 10 PWWP, 4 WD40, 3 Tudor and 4 MBT domains of 20 proteins (DSLS measurements): dTagg(NSD3@PWWP1) = 0.7 K, dTagg(NSD2@PWWP1) = 0.1 K, dTagg(NSD3@PWWP2) = 0.5 K, dTagg(BRPF1@PWWP) = 0.0 K, dTagg(BRD1@PWWP) = -2.2 K, dTagg(BRPF3@PWWP) = 0.3 K, dTagg(ZCWPW1@PWWP) = 0.0 K, dTagg(DNMT3A@PWWP1) = -0.1 K, dTagg(DNMT3B@PWWP1) = 0.0 K, dTagg(MSH6@PWWP) = -0.2 K, dTagg(WDR20@PWWP) = 0.0 K, dTagg(WDR5@PWWP) = - 0.7 K, dTagg(WDR48@PWWP) = 0.1 K, dTagg(EED@PWWP) = 0.2 K, dTagg(53BP1@PWWP1) = 0.1 K, dTagg(SETDB1@PWWP) = 0.9 K, dTagg(TDRD3@PWWP) = 0.8 K, dTagg(L3MBTL3@PWWP) = 0.2 K, dTagg(L3MBTL1@PWWP1) = 0.2 K, dTagg(SCML2@PWWP1) = 0.1 K (https://www.nature.com/articles/s41589-019-0310-x); Screened at 1 µM and 10 µM against 34 protein, RNA and DNA methyltransferases and EP300 (acetyltransferase): highly selective with >80% remaining activity on all proteins tested (https://www.nature.com/articles/s41589-019-0310-x); Screened at 100 µM against 48 bromodomains (DSF assay): clean selectivity profile with all targets dTm <2K (https://www.nature.com/articles/s41589-019-0310-x)
Selectivity Source Knowledge
Compound image 
SGC6870
HMT
PRMT6
IC50 = 77
Epigenetic set
1 µM
Compound EUbOPEN ID
EUB0000271b
SMILES
Cc1cc(C)cc([C@@H]2c3cc(C)ccc3NC(=O)CN2C(=O)c2ccc(Br)s2)c1
InChIKey
NIPTUMFVYBXSMZ-JOCHJYFZSA-N
NCBI gene ID
UniProt ID
Synonyms
FLJ10559
Mode of action
Allosteric inhibitor
Negative control
SGC6870N
Affinity biochemical assay type
Radioactive biochemical assay
Affinity Biochemical Source Knowledge
Selectivity platform
Methyltransferase screen (radiometric assays)
Selectivity platform number of targets
32
Selectivity remarks
Screened at 1 µM and 10 µM, clean against a panel of 8 PRMTs, 21 protein lysine methyltransferases, 3 DNA methyltransferases, and one RNA methyltransferase, targets as % of activity in the screen at 1 µM: PRMT6 (17%), PRMT1 (>90%), PRMT3 (>90%), PRMT4 (>90%), PRMT5 (>90%), PRMT7 (>90%), PRMT8 (>90%), PRMT9 (>90%), G9a (>90%), GLP (>90%), SETDB1 (>90%), SUV39H1 (>90%), SUV39H2 (>90%), SUV420H1 (>90%), SUV420H2 (>90%), SETD7 (>90%), SETD8 (>90%), MLL1 (>90%), MLL3 (>90%), PRDM9 (>90%), PRC2 (>90%), SETD2 (>90%), SMYD2 (>90%), SMYD3 (>90%), BCDN3D (>90%), DNMT1 (>90%), DNMT3A/3L (>90%), DNMT3B/3L (>90%), DOT1L (>90%), ASH1L (>90%), NSD1 (>90%), NSD2(>90%),NSD3(>90%); Targets as % of activity in the screen at 10 µM: PRMT6 (8%), PRMT1 (>90%), PRMT3 (>90%), PRMT4 (>90%), PRMT5 (>90%), PRMT7 (>90%), PRMT8 (>90%), PRMT9 (>90%), G9a (>90%), GLP (>90%), SETDB1 (>90%), SUV39H1 (>90%), SUV39H2 (>90%), SUV420H1 (>90%), SUV420H2 (>90%), SETD7 (>90%), SETD8 (>90%), MLL1 (>90%), MLL3 (>90%), PRDM9 (>90%), PRC2 (>90%), SETD2 (>90%), SMYD2 (>90%), SMYD3 (>90%), BCDN3D (>90%), DNMT1 (>90%), DNMT3A/3L (>90%), DNMT3B/3L (>90%), DOT1L (>90%), ASH1L (>90%), NSD1 (>90%), NSD2(>90%),NSD3(>90%); Screened against 44 non-epigenetic targets by Eurofins (kinases, GPCRs, ion channels and transporters) at 1 μM, closest target as % of inhibition: KOP (20%), COX1 (17%), GR (15%), 5-HT2A (12%), M3 (12%), MAOA (12%), D1 (9%), acetylcholinesterase (7%), https://pubmed.ncbi.nlm.nih.gov/33591753/;
Selectivity Source Knowledge
Compound image 
SGC6870N
HMT
PRMT6
IC50 > 50000
Epigenetic set
1 µM
Compound EUbOPEN ID
EUB0000272b
SMILES
Cc1cc(C)cc([C@H]2c3cc(C)ccc3NC(=O)CN2C(=O)c2ccc(Br)s2)c1
InChIKey
NIPTUMFVYBXSMZ-QFIPXVFZSA-N
NCBI gene ID
UniProt ID
Synonyms
FLJ10559
Mode of action
Negative control for SGC6870
Affinity biochemical assay type
Radioactive biochemical assay
Affinity Biochemical Source Knowledge
Selectivity platform
Methyltransferase screen (radiometric assays)
Selectivity platform number of targets
32
Selectivity remarks
Screened at 1 µM and 10 µM, clean against a panel of 8 PRMTs, 21 protein lysine methyltransferases, 3 DNA methyltransferases, and one RNA methyltransferase, targets as % of activity in the screen at 1 µM: PRMT6 (17%), PRMT1 (>90%), PRMT3 (>90%), PRMT4 (>90%), PRMT5 (>90%), PRMT7 (>90%), PRMT8 (>90%), PRMT9 (>90%), G9a (>90%), GLP (>90%), SETDB1 (>90%), SUV39H1 (>90%), SUV39H2 (>90%), SUV420H1 (>90%), SUV420H2 (>90%), SETD7 (>90%), SETD8 (>90%), MLL1 (>90%), MLL3 (>90%), PRDM9 (>90%), PRC2 (>90%), SETD2 (>90%), SMYD2 (>90%), SMYD3 (>90%), BCDN3D (>90%), DNMT1 (>90%), DNMT3A/3L (>90%), DNMT3B/3L (>90%), DOT1L (>90%), ASH1L (>90%), NSD1 (>90%), NSD2(>90%),NSD3(>90%); Targets as % of activity in the screen at 10 µM: PRMT6 (8%), PRMT1 (>90%), PRMT3 (>90%), PRMT4 (>90%), PRMT5 (>90%), PRMT7 (>90%), PRMT8 (>90%), PRMT9 (>90%), G9a (>90%), GLP (>90%), SETDB1 (>90%), SUV39H1 (>90%), SUV39H2 (>90%), SUV420H1 (>90%), SUV420H2 (>90%), SETD7 (>90%), SETD8 (>90%), MLL1 (>90%), MLL3 (>90%), PRDM9 (>90%), PRC2 (>90%), SETD2 (>90%), SMYD2 (>90%), SMYD3 (>90%), BCDN3D (>90%), DNMT1 (>90%), DNMT3A/3L (>90%), DNMT3B/3L (>90%), DOT1L (>90%), ASH1L (>90%), NSD1 (>90%), NSD2(>90%),NSD3(>90%); Screened against 44 non-epigenetic targets by Eurofins (kinases, GPCRs, ion channels and transporters) at 1 μM, closest target as % of inhibition: KOP (20%), COX1 (17%), GR (15%), 5-HT2A (12%), M3 (12%), MAOA (12%), D1 (9%), acetylcholinesterase (7%), https://pubmed.ncbi.nlm.nih.gov/33591753/;
Selectivity Source Knowledge
Compound image 
PPTN
GPCR
P2RY14
IC50 = 0.5
IC50 = 7.96
GPCR set
100 nM
Compound EUbOPEN ID
EUB0000274bCl
SMILES
Cl.O=C(O)c1cc(-c2ccc(C3CCNCC3)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1
InChIKey
FKMVYPCBLWYNAV-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
KIAA0001
Mode of action
Antagonist
Negative control
PPTN-NC
Affinity biochemical assay type
FLIPR assay
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
Fluorescence binding assay (using flow cytometry in hP2Y14R-expressing CHO cells)
Selectivity platform
GPCR screen (PDSP)
Selectivity platform number of targets
45
Selectivity remarks
Screened at 10 µM, >10,000-fold selectivity over other P2RY* receptors, closest targets: Ki(DRD3) = 884.3 nM, Ki(TMEM97) = 1120.99 nM, Ki(SIGMAR1) = 1180.59 nM, Ki(ADRA2B) = 2561.53 nM; Screened against 468 kinases (KinomeScan DiscoverX) at 1 µM, closest target: MAPKAPK2 (51% of contr.); Screened in Eurofins-Panlabs enzyme assay against 40 targets at 10 µM, closest targets: IC50(INSR) = 4.31 µM, IC50(EGFR) = 4.59 µM; Screened in Eurofins-Panlabs radioligand binding assay against 125 targets at 1 µM and 10 µM, closest targets: IC50(CYSLTR1) = 560 nM, IC50(HRH2) = 1390 nM, IC50(SLC6A3) = 2310 nM; Screened in PDSP screen against 45 receptors, ion channels and transporters at 10 µM, closest targets: Ki(D3 dopamine receptor) = 6.79 µM, Ki(d-opioid receptor) = 2.75 µM
Selectivity Source Knowledge
Compound image 
PPTN
GPCR
P2RY14
IC50 = 7.94
Compound EUbOPEN ID
EUB0000274cCl
SMILES
Cl.OC(=O)c1cc(-c2ccc(cc2)C2CCNCC2)c2ccc(cc2c1)-c1ccc(cc1)C(F)(F)F
InChIKey
FKMVYPCBLWYNAV-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
KIAA0001
Mode of action
Antagonist
Affinity biochemical assay type
Antagonist activity human P2Y14R expressed in African green monkey COS7 cells assessed as inhibition of UDPG-induced [3H]inositol phosphate accumulation after 30 mins by liquid scintillation counting method
Affinity Biochemical Source Knowledge
Compound image 
IPP/CNRS-A017
Dehydrogenase
DHODH
IC50 = 25
IC50 = 2.5
Other targets
100 nM
Compound EUbOPEN ID
EUB0000276b
SMILES
Cc1c(Oc2c(F)cccc2F)c(OC(C)C)nn1-c1ncc(C2CC2)cc1F
InChIKey
JNAABFZPXJJMPX-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
DHODH
Mode of action
Inhibitor
Negative control
IPP/CNRS-A019
Affinity biochemical assay type
Activity assay
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
Measles Virus Inhibition Assay
Affinity on-target cellular source knowledge
Selectivity remarks
No related human family members
Selectivity Source Knowledge
Compound image 
BI01383298
SLC
SLC13A5
IC50 = 24
Ion Channel
1 µM
Compound EUbOPEN ID
EUB0000282b
SMILES
O=C(NCc1ccc(F)cc1)C1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1
InChIKey
VUOYAALVGSMUHC-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
EIEE25 INDY NACT mIndy
Mode of action
Inhibitor
Negative control
BI01372674
Affinity on-target cellular assay type
Citrate uptake inhibition assay (HepG2 cells expressing endogenous SLC13A5)
Selectivity platform
SafetyScreen44™ (Eurofins)
Selectivity platform number of targets
44
Selectivity remarks
Screened at 10 µM against a panel of ion channels, GPCRs, hydrolases and other enzymes, closest target as % of contr.: NA+/SITE2/R (48%, voltage-gated ion channel) 1000-fold selective over closest family members: human SLC13A2 and SLC13A3 that share physiological substrates citrate and succinate
Selectivity Source Knowledge
Compound image 
NVS-MLLT-1
YEATS
MLLT1
IC50 = 150
IC50 = 500
Epigenetic set
1 µM
Compound EUbOPEN ID
EUB0000283b
SMILES
C[C@H]1CCCN1Cc1nc2cc(NC(=O)c3ccc4cnccc4c3)ccc2[nH]1
InChIKey
ZRTFTZCKJUNZIU-HNNXBMFYSA-N
NCBI gene ID
UniProt ID
Synonyms
ENL, LTG19, YEATS1
Mode of action
Inhibitor
Negative control
NVS-iMLLT-C
Affinity biochemical assay type
AlphaScreen assay
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
NanoBRET assay (HEK293T cells)
Selectivity platform
Bromodomain panel, literature
Selectivity platform number of targets
42
Selectivity remarks
Selective across all bromodomains (IC50(CERC2) >40 µM, IC50(YESTS2/4) >20 µM (TR-FRET assay); Screened against 59 kinases (PSP kinase safety panel, Eurofins), closest targets: IC50(TRB2) = 3.5 µM, IC50(PIM1) = 8.6 µM, others >30 µM, Screened against 31 other targets (GPCRs, transporter and ion channels, PSP Principial panel 20118+, Eurofins), closest targets: IC50(ACES) = 250 nM, IC50(H3) = 290 nM, IC50(M2) = 1.8 µM, IC50(NET) = 8.7 µM, others >30 µM;
Selectivity Source Knowledge
Compound image 
NVS-MLLT-1
YEATS
MLLT3
IC50 = 254
Epigenetic set
1 µM
Compound EUbOPEN ID
EUB0000283b
SMILES
C[C@H]1CCCN1Cc1nc2cc(NC(=O)c3ccc4cnccc4c3)ccc2[nH]1
InChIKey
ZRTFTZCKJUNZIU-HNNXBMFYSA-N
NCBI gene ID
UniProt ID
Synonyms
AF-9 AF9 YEATS3
Mode of action
Inhibitor
Negative control
NVS-iMLLT-C
Affinity biochemical assay type
AlphaScreen assay
Affinity Biochemical Source Knowledge
Selectivity platform
Bromodomain panel, literature
Selectivity platform number of targets
42
Selectivity remarks
Selective across all bromodomains (IC50(CERC2) >40 µM, IC50(YESTS2/4) >20 µM (TR-FRET assay); Screened against 59 kinases (PSP kinase safety panel, Eurofins), closest targets: IC50(TRB2) = 3.5 µM, IC50(PIM1) = 8.6 µM, others >30 µM, Screened against 31 other targets (GPCRs, transporter and ion channels, PSP Principial panel 20118+, Eurofins), closest targets: IC50(ACES) = 250 nM, IC50(H3) = 290 nM, IC50(M2) = 1.8 µM, IC50(NET) = 8.7 µM, others >30 µM;
Selectivity Source Knowledge
Compound image 
TH-263
Protein Kinase
LIMK1
Negative Control
Kinase set
1 µM
Compound EUbOPEN ID
EUB0000285b
SMILES
O=C(NCc1ccccc1)c1ccc(S(=O)(=O)NCc2ccccc2)cc1
InChIKey
QDGVJMITKNOVTP-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
LIMK
Mode of action
Negative control for TH-257
Affinity Biochemical Source Knowledge
Compound image 
TH-263
Protein Kinase
LIMK2
Negative Control
Kinase set
1 µM
Compound EUbOPEN ID
EUB0000285b
SMILES
O=C(NCc1ccccc1)c1ccc(S(=O)(=O)NCc2ccccc2)cc1
InChIKey
QDGVJMITKNOVTP-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Mode of action
Negative control for TH-257
Affinity Biochemical Source Knowledge
Compound image 
A-545
GPCR
EDNRA
Negative Control
GPCR set
100 nM
Compound EUbOPEN ID
EUB0000289bCl
SMILES
CCCCN(C(CN1C[C@@H](C2=CC(OC)=C3OCOC3=C2)[C@H](C(O)=O)[C@H]1CC(C)(CCC)C)=O)CCCC.Cl
InChIKey
KMKKFZCVBRAWNX-GSAMTNRBSA-N
NCBI gene ID
UniProt ID
Synonyms
ET-A, ETA-R, hET-AR
Mode of action
Negative control for ABT-546
Affinity Biochemical Source Knowledge
Compound image 
ABT-100
Transferase
FNTB
IC50 = 0.05
EC50 = 0.73
Other targets
1 µM
Compound EUbOPEN ID
EUB0000289c
SMILES
CCCCN(CCCC)C(=O)CN1C[C@@H](c2cc(OC)c3c(c2)OCO3)[C@H](C(=O)O)[C@H]1CC(C)(C)CCC
InChIKey
OAEWNSKRLBVVBV-OBTVHEKISA-N
NCBI gene ID
UniProt ID
Synonyms
FNTB
Mode of action
Inhibitor
Negative control
A-108
Affinity biochemical assay type
Scintillation proximity assay (SPA)
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
Western Blot (inhibition of Ras in NIH 3T3 H-Ras cells)
Selectivity platform
CEREP panel (Eurofins)
Selectivity platform number of targets
75
Selectivity remarks
Screened at 3 µM against 75 ion channels, receptors, GPCRs and enzymes (ligand binding assay), closest target as % inhibition: PRCP (97%), >100 000-fold selective for FNTB over the closely related enzyme PGGT1B (GGTase I); Screened against 468 kinases (KinomeScan DiscoverX), at 1 µM, closest targets as % of contr.: EPHA1 (38%), NEK7 (46%), BRSK2 (48%), GRK3 (48%), follow-up Kd values: IC50(EPHA1/NEK7/BRSK2/GRK3) >10 µM; Screened against 45 GPCR targets (PDSP screen) at 10 µM, closest target: Ki(HRH1) >10 µM;
Selectivity Source Knowledge
Compound image 
ABT-724
GPCR
DRD4
EC50 = 12.3
Compound EUbOPEN ID
EUB0000290bCl
SMILES
[H]Cl.[H]Cl.[H]Cl.N1(CCN(C2=NC=CC=C2)CC1)CC3=NC4=CC=CC=C4N3
InChIKey
AZFUVPBLKQGSRI-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Mode of action
Partial agonist
Affinity on-target cellular assay type
Agonist activity at human D4.4 receptor in HEK293 cells coexpressing G-alpha-qo5 by FLIPR
Compound image 
BAY-386
GPCR
F2R
IC50 = 56
IC50 = 10
GPCR set
100 nM
Compound EUbOPEN ID
EUB0000291b
SMILES
O=C(N1CCS(=O)(=O)CC1)N1C[C@@](S)(c2ccc(OC(F)(F)F)cc2)C[C@@](S)(c2nc(C3CC3)no2)C1
InChIKey
FWONKSVKZWQNPN-RTWAWAEBSA-N
NCBI gene ID
UniProt ID
Synonyms
TR, CF2R, PAR1, PAR-1
Mode of action
Antagonist
Negative control
BAY-448
Affinity biochemical assay type
Binding assay (platelet membranes)
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
Functional cellular assay in HEK cells expressing F2R
Selectivity platform
Eurofins-Panlabs radioligand binding assay
Selectivity platform number of targets
68
Selectivity remarks
Screened at 10 µM, closest target as % of inhibition: CNR1 (88 %); CNR1 functional test (GTPyS binding): IC50 = 10.6 µM; Screened against 45 GPCR targets (PDSP screen) at 10 µM, closest target: Ki(TMEM97) = 1203.22 nM; Screened against 468 kinases (KinomeScan DiscoverX) at 1 µM, closest targets as % of contr.: CDK11A (0%), DCLK2(0%), MAP3K12(0%), CDK18(0%), CDK4(18%), TYK2(53%);
Selectivity Source Knowledge
Compound image 
BAY-474
Protein Kinase
MET
IC50 < 1
IC50 = 2.9
Kinase set
1 µM
Compound EUbOPEN ID
EUB0000293b
SMILES
CC1=C(C#N)C(c2ccc3[nH]nc(C)c3c2)C(C#N)=C(C)N1
InChIKey
QKVFMAAIXZONRN-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
HGFR, RCCP2, DFNB97
Mode of action
Inhibitor
Negative control
BAY-827
Affinity biochemical assay type
Homogeneous Time Resolved Fluorescence Assay
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
Cellular mechanistic assay (phosphorylation of MET in NKM-45 cells)
Selectivity platform
Millipore panel
Selectivity platform number of targets
218
Selectivity remarks
Screened at 1 µM, closest target: IC50(RPS6KA3) = 0.9 µM, >1000 fold selective against all other kinases; Eurofins-Panlabs radioligand binding assay (screened against 68 targets, at 10 µM): clean profile; Screened against 45 GPCR targets (PDSP screen) at 10 µM: clean profile
Selectivity Source Knowledge
Compound image 
BI 99179
Synthase
FASN
IC50 = 79
IC50 = 180
Other targets
1 µM
Compound EUbOPEN ID
EUB0000294b
SMILES
CCC(=O)N[C@H]1CC[C@@H](C(=O)N(C)c2ccc(-c3nc4ccccc4o3)cc2)C1
InChIKey
YNFDIGJKJPNFFD-SJORKVTESA-N
NCBI gene ID
UniProt ID
Synonyms
FAS, OA-519, SDR27X1
Mode of action
Inhibitor
Negative control
BI 99990
Affinity biochemical assay type
Human FAS enzyme assay (measuring consumption of NADPH)
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
Cellular activity assay (inhibition of [14C]acetate incorporation into human H1975 cells)
Selectivity remarks
Screened against 468 kinases (KinomeScan DiscoverX) at 1 µM, closest targets as % of contr.: MAP2K5 (16%), NTRK3 (32%), AURKA (43%), LATS1 (48%); Screened against 30 GPCR, ion channels, receptors and other enzymes (MDS Pharma Service panel, radioligand binding assays) at 10 µM, closest target as % inhibition: Imidazoline I2, central (19%); Screened against 45 GPCRs (PDSP screen) at 10 µM, closest targets: SLC6A3 (77%)
Selectivity Source Knowledge
Compound image 
BI-9627
SLC
SLC9A1
IC50 = 6
Ion Channel
1 µM
Compound EUbOPEN ID
EUB0000295b
SMILES
CC(=O)N1CCC(c2ccc(C(=O)NC(=N)N)cc2C(F)(F)F)CC1
InChIKey
QMHRLXNEGYTSRV-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
APNH LIKNS NHE-1 NHE1 PPP1R143
Mode of action
Antagonist
Affinity biochemical assay type
pHi change assay
Affinity Biochemical Source Knowledge
Selectivity remarks
Solute carrier family 9 isoform selectivity: > 30-fold selective versus SLC9A2 (IC50 = 231 nM) and >1000-fold versus SLC9A3 (IC50 >16 µM); Screened against 45 GPCR targets (PDSP screen) at 10 µM, closest target: Ki(DAT) = 1523 nM; Selective in KinomeScan (DiscoverX) against 468 targets at 1 µM; Screened in Eurofins-Panlabs panel (68 targets), closest target M2 (67 % inhibition at 10 µM)
Selectivity Source Knowledge
Compound image 
MRL-650
GPCR
CNR1
IC50 = 7.5
EC50 = 4.9
GPCR set
1 µM
Compound EUbOPEN ID
EUB0000296b
SMILES
CC(=O)Nc1c(C(C)=O)c(=O)n(C)c2nc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)cc12
InChIKey
VHSIAYLBCLUAFT-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
CB1K5, CB-R, CB1, CANN6, CB1A
Mode of action
Inverse agonist
Negative control
MRL-CB1-NC
Affinity biochemical assay type
Radioligand binding assay
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
Radioimmunoassay (hCB1r functional activation assay on recombinant hCB1r CHO cells)
Selectivity platform
GPCR screen (PDSP)
Selectivity platform number of targets
45
Selectivity remarks
Screened at 10 µM, closest targets: Ki(GABA/PBR) = 82 nM, Ki(TMEM97) = 605 nM, Ki(SIGMAR1) = 1158 nM; Radioligand binding assay: IC50(CNR2) = 4.1 µM (PMID: 31859507); Screened against 468 kinases (KinomeScan DiscoverX) at 1 µM, closest targets as % contr.: DYRK1B (35%), STK11 (43%), EIF2AK4 (48%), PIK3C2B (48%), PRKCE (48%); Screened against 168 enzymes and receptors (MSD Pharma/Taiwan screen) at 10 µM, closest targets: IC50(ALOX5) = 1.34 µM, IC50(EGFR) = 3.26 µM, IC50(MAPK14) = 3.68 µM, IC50(MAPK3) = 8.61 µM; Radioligand binding assays (MDS Pharma Service): Ki(SLC18A2) = 0.648 µM, Ki(ADORA3) = 0.773 µM, Ki(SLC6A3) = 0.799 µM, Ki(ADRA2C) = 1.13 µM;
Selectivity Source Knowledge
Compound image 
CRTH2
GPCR
PTGDR2
Ki = 2.5
IC50 = 3
GPCR set
100 nM
Compound EUbOPEN ID
EUB0000297b
SMILES
CN([C@@H]1CCc2c(CC(=O)O)c3ccccc3n2C1)S(=O)(=O)c1ccc(F)cc1
InChIKey
JTCAGRAKUAAYDY-OAHLLOKOSA-N
NCBI gene ID
UniProt ID
Synonyms
CRTH2, CD294, DP2
Mode of action
Antagonist
Negative control
CRTH2 negative control
Affinity biochemical assay type
Prostanoid receptor binding assay
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
cAMP functional assay in HEK-hCRTH2 cells
Selectivity platform
GPCR screen (PDSP)
Selectivity platform number of targets
45
Selectivity remarks
Screened at 10 µM, closest targets: Ki(SLC6A3) = 283 nM, Ki(GABA/PBR) = 1115 nM, Ki(DRD2) = 3746 nM; Prostanoid receptor binding assay: Ki(TBXA2R)= 3804 nM, >100-fold selective against related receptors; Screened against 468 kinases (KinomeScan DiscoverX) at 1 µM, closest targets as % of contrl.: ROCK1 (34%), DYRK1B (44%)
Selectivity Source Knowledge
Compound image 
ERKi
Protein Kinase
MAPK1
Kd = 4.8
IC50 = 850
Kinase set
1 µM
Compound EUbOPEN ID
EUB0000298b
SMILES
C[C@@H](NC(=O)Nc1cc2[nH]ncc2c(CO)n1)c1ccccc1
InChIKey
RAXZSEGXMBWYQK-SNVBAGLBSA-N
NCBI gene ID
UniProt ID
Synonyms
ERK, ERK2, p41mapk, MAPK2
Mode of action
Inhibitor
Negative control
ERKi-NC
Affinity biochemical assay type
KdELECT (DiscoverX)
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
NanoBRET assay (HEK293T cells)
Selectivity platform
ScanMAX (DiscoverX)
Selectivity platform number of targets
486
Selectivity remarks
Screened at 0.1 µM, closest targets: Kd(LATS2) = 55 nM, Kd(MAPK15) = 30 nM, Kd(TGFBR2) = 54 nM, Kd(ROCK2) = 82 nM, Kd(ULK1) = 140 nM
Selectivity Source Knowledge
Compound image 
ERKi
Protein Kinase
MAPK3
Kd = 1.5
IC50 = 6690
Kinase set
1 µM
Compound EUbOPEN ID
EUB0000298b
SMILES
C[C@@H](NC(=O)Nc1cc2[nH]ncc2c(CO)n1)c1ccccc1
InChIKey
RAXZSEGXMBWYQK-SNVBAGLBSA-N
NCBI gene ID
UniProt ID
Synonyms
ERK1, p44mapk, p44erk1
Mode of action
Inhibitor
Negative control
ERKi-NC
Affinity biochemical assay type
KdELECT (DiscoverX)
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
NanoBRET assay (HEK293T cells)
Selectivity platform
ScanMAX (DiscoverX)
Selectivity platform number of targets
486
Selectivity remarks
Screened at 0.1 µM, closest targets: Kd(LATS2) = 55 nM, Kd(MAPK15) = 30 nM, Kd(TGFBR2) = 54 nM, Kd(ROCK2) = 82 nM, Kd(ULK1) = 140 nM
Selectivity Source Knowledge
Compound image 
(R)-9s
GPCR
ADRA1D
Ki = 1.6
GPCR set
1 µM
Compound EUbOPEN ID
EUB0000300bCl
SMILES
C[C@@H](c1cccc(CN)c1)n1cc(Cl)cc(C(N)=O)c1=N.Cl
InChIKey
PIRKVXKOMRREFI-FVGYRXGTSA-N
NCBI gene ID
UniProt ID
Synonyms
ADRA1R, ADRA1A, ADRA1
Mode of action
Antagonist
Negative control
(S)-9s
Affinity biochemical assay type
Binding assay
Affinity Biochemical Source Knowledge
Selectivity platform
GPCR screen (PDSP)
Selectivity platform number of targets
45
Selectivity remarks
Screened at 10 µM, closest targets as % inhibition: ADRA1A (84%), ADRA2B (80%); In vitro follow up: Ki(ADRA1A) >2.7 µM (> 1700 fold), Ki(ADRA1B) >1.2 µM (>750 fold); Screened against 468 kinases (KinomeScan, DiscoverX) at 1 µM, closest targets as % contr.: MAPK6 (0%), TYRO3 (33%);
Selectivity Source Knowledge
Compound image 
BTZO-1
Tautomerase
MIF
Kd = 68.6
Other targets
1 µM
Compound EUbOPEN ID
EUB0000301b
SMILES
O=c1nc(-c2ccccn2)sc2ccccc12
InChIKey
GBAKVEWPYUIGHN-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
MIF, GLIF, MMIF
Mode of action
Activator
Negative control
BTZO-4
Affinity biochemical assay type
Scintillation proximity assay (SPA; measurement of selective [83H]-BTZO-1 binding to human MIF-His)
Affinity Biochemical Source Knowledge
Selectivity remarks
Screened against 468 kinases (KinomeScan DiscoverX) at 1 µM, closest targets as % of contr.: CDK8 (36%), EIF2AK4 (47%); Screened against 45 GPCR targets (PDSP screen) at 10 µM, closest target: Ki(GABAA/BZP) = 934 nM; Selectivity against recently discovered D-Dopachrome Tautomerase (DDT) is unknown.
Selectivity Source Knowledge
Compound image 
BAY-707
Nudix hydrolase family
NUDT1
IC50 = 2.3
EC50 = 7.6
Other targets
1 µM
Compound EUbOPEN ID
EUB0000302b
SMILES
CCNC(=O)c1cc2c(N3CCOC[C@H]3C)ccnc2[nH]1
InChIKey
RPMGXDCRCWWCRY-SNVBAGLBSA-N
NCBI gene ID
UniProt ID
Mode of action
Inhibitor
Negative control
BAY-604
Affinity biochemical assay type
PPiLight Biochemical Assay (full-length human NUDT1)
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
CETSA (cellular thermal shift assay in K562 cells)
Selectivity remarks
Selective across the Nudix family when tested in Tm shift assay; Screened against 45 GPCR targets (PDSP screen) at 10 µM, closest target: Ki(GABAA/BZP) = 1527 nM; Screened against 30 kinases at 40 µM (Bayer in-house kinase panel), all targets IC50 >8 µM (PMID: 28679043)
Selectivity Source Knowledge
Compound image 
TP-004
Aminopeptidase
METAP2
IC50 = 7
Protease set
1 µM
Compound EUbOPEN ID
EUB0000303b
SMILES
Cc1nc(N2CC[C@H](O)C2)ncc1-c1cc(C(F)(F)F)cc2[nH]ncc12
InChIKey
BNTAEJNPQLMGDJ-NSHDSACASA-N
NCBI gene ID
UniProt ID
Synonyms
METAP2, MNPEP, P67EIF2
Mode of action
Inhibitor
Negative control
TPn-004
Affinity biochemical assay type
Biochemical activity assay (addition of Mn)
Affinity Biochemical Source Knowledge
Selectivity platform
Ricerca panel
Selectivity platform number of targets
100
Selectivity remarks
Highly selective in panel of GPCRs, ion channels, transporters, enzymes and proteases, at 10 µM: METAP2/1 >1000-fold; Selectivity against other proteases: < 1000 -fold; Clean in KinomeScan (DiscoverX) against 468 targets at 1 µM, closest targets as % of contr.: LATS2 (26%), EPHB6 (36%), WNK2 (41%), GRK2 (42%), RPS6KA3 (48%), SGK1 (49%); Clean in screen against 45 GPCR targets (PDSP screen) at 10 µM, closest targets: Ki(SLC6A3) = 1679 nM, Ki(GABAA/BZP) = 4538 nM
Selectivity Source Knowledge
Compound image 
PF-05105679
TRP channel
TRPM8
IC50 = 181
IC50 = 103
Ion Channel
1 µM
Compound EUbOPEN ID
EUB0000304b
SMILES
C[C@H](c1ccc(F)cc1)N(Cc1cccc(C(=O)O)c1)C(=O)c1cnc2ccccc2c1
InChIKey
BXNMZRPTQFVRFA-QGZVFWFLSA-N
NCBI gene ID
UniProt ID
Synonyms
TRPM8, LTRPC6, TRPP8
Mode of action
Antagonist
Negative control
PF-05257137
Affinity biochemical assay type
FLIPR assay
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
Clamp electrophysiology (Ephys) assay (inhibition of voltage-induced current in HEK-293 cells expressing human TRPM8 channel)
Selectivity platform
CEREP Wide Ligand screening panel, literature
Selectivity platform number of targets
90
Selectivity remarks
Screened at 10 µM, panel of ion channels, receptors, enzymes, > 100-fold selective (including closely related TRPV1, TRPA1 channels); Clean in CardiacProfiler ion channel panel (Millipore) at 10 µM; Screened against 468 kinases (KinomeScan DiscoverX) at 1 µM, closest targets as % of contr.: MAPK14 (0%), GRK3 (40%), TAOK3 (41%), PIK3CA(Q546K) (42%); Screened against 45 GPCR targets (PDSP screen) at 10 µM, closest target: Ki (GABA/PBR) = 1022.12 nM
Selectivity Source Knowledge
Compound image 
BAY-985
Protein Kinase
TBK1
IC50 = 2
IC50 = 312
Kinase set
1 µM
Compound EUbOPEN ID
EUB0000305b
SMILES
C[C@H](c1ccnc(Nc2nc3ccc(-c4cc(N(C)C)ncn4)cc3[nH]2)c1)N1CCN(C(=O)CC(F)(F)F)CC1
InChIKey
HZRJHVDNTDBTOZ-QGZVFWFLSA-N
NCBI gene ID
UniProt ID
Synonyms
NAK
Mode of action
Inhibitor
Negative control
BAY-440
Affinity biochemical assay type
TR-FRET-based kinase activity inhibition assay (1 µM ATP)
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
NanoBRET assay (HEK293T cells)
Selectivity platform
Kinome Scan (DiscoverX)
Selectivity platform number of targets
468
Selectivity remarks
Screened at 100 nM, closest targets as % of contr.: MAP2K5 (8.5%), MAP3K19 (10%), SYK (31%), FLT3(D835V) (32%), STK17A (40%), TAOK3 (41%), PIK3CA(Q546K) (45%); In vitro follow-up of closest targets: IC50(FLT3) = 123 nM, IC50(MAP2K5) = 847 nM (Bayer in-house data), IC50(FLT3) = 123 nM, IC50(RPS6KA6) = 276 nM, IC50(DRAK1) = 311 nM, IC50(ULK1) = 7930 nM (PMID: 31859507); Kd(STK17A) = 74 nM, Kd(MAP3K19) = 9.6 nM (DiscoverX), IC50(STK17A) = 310 nM (Eurofins kinase panel); Cellular selectivity (NanoBRET assay, HEK293T cells): IC50(MAP3K19) >20 µM, IC50(STK17A) >20 µM, IC50(MAP2K5) >20 µM, IC50(FLT3) >20 µM; Screened against 45 GPCR targets (PDSP screen), closest targets: Ki(TMEM97) = 1155.57 nM , Ki(HTR2B) = 1305.2 nM;
Selectivity Source Knowledge
Compound image 
BAY-985
Protein Kinase
IKBKE
IC50 = 2
IC50 = 1725
Kinase set
1 µM
Compound EUbOPEN ID
EUB0000305b
SMILES
C[C@H](c1ccnc(Nc2nc3ccc(-c4cc(N(C)C)ncn4)cc3[nH]2)c1)N1CCN(C(=O)CC(F)(F)F)CC1
InChIKey
HZRJHVDNTDBTOZ-QGZVFWFLSA-N
NCBI gene ID
UniProt ID
Synonyms
IKKE, IKK-i, KIAA0151
Mode of action
Inhibitor
Negative control
BAY-440
Affinity biochemical assay type
TR-FRET-based kinase activity inhibition assay (1 µM ATP)
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
NanoBRET assay (HEK293T cells)
Selectivity platform
Kinome Scan (DiscoverX)
Selectivity platform number of targets
468
Selectivity remarks
Screened at 100 nM, closest targets as % of contr.: MAP2K5 (8.5%), MAP3K19 (10%), SYK (31%), FLT3(D835V) (32%), STK17A (40%), TAOK3 (41%), PIK3CA(Q546K) (45%); In vitro follow-up of closest targets: IC50(FLT3) = 123 nM, IC50(MAP2K5) = 847 nM (Bayer in-house data), IC50(FLT3) = 123 nM, IC50(RPS6KA6) = 276 nM, IC50(DRAK1) = 311 nM, IC50(ULK1) = 7930 nM (PMID: 31859507); Kd(STK17A) = 74 nM, Kd(MAP3K19) = 9.6 nM (DiscoverX), IC50(STK17A) = 310 nM (Eurofins kinase panel); Cellular selectivity (NanoBRET assay, HEK293T cells): IC50(MAP3K19) >20 µM, IC50(STK17A) >20 µM, IC50(MAP2K5) >20 µM, IC50(FLT3) >20 µM; Screened against 45 GPCR targets (PDSP screen), closest targets: Ki(TMEM97) = 1155.57 nM , Ki(HTR2B) = 1305.2 nM;
Selectivity Source Knowledge
Compound image 
PF-04457845
Hydrolase
FAAH
IC50 = 7.2
Other targets
1 µM
Compound EUbOPEN ID
EUB0000306b
SMILES
O=C(Nc1cccnn1)N1CCC(=Cc2cccc(Oc3ccc(C(F)(F)F)cn3)c2)CC1
InChIKey
BATCTBJIJJEPHM-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
FAAH, FAAH1
Mode of action
Covalent inhibitor
Negative control
PF-04875474
Affinity biochemical assay type
Glutamate dehydrogenase-coupled FAAH assay (preincubation time 60 min)
Affinity Biochemical Source Knowledge
Selectivity platform
Serine hydrolase panel, literature
Selectivity platform number of targets
200
Selectivity remarks
Functional proteomic screen, testet at 10 µM and 100 µM, PF-04457845 showed exquisite selectivity for FAAH relative to other mammalian serine hydrolases (no targets up to 100 µM); Screened against 468 kinases (KinomeScan DiscoverX) at 1 µM, closest targets as % of contr.: KIT(L576P) (0%), TAOK3 (42%), PIK3CA (45%); Screened against 45 GPCR targets (PDSP screen) at 10 µM, closest targets: Ki(HTR2A) = 248.71 nM, Ki(TMEM97) = 436.72 nM, Ki(SIGMAR1) = 472.06 nM, Ki(ADRA2C) = 595.66 nM, Ki(GABA/ PBR) = 1140.08 nM; Screened in CEREP ligand profiling, panel of 68 ion channels, GPCRS and transporters at 10 µM, closest target: Ki(HTR2A) =1.6 µM;
Selectivity Source Knowledge
Compound image 
BAY-876
SLC
SLC2A1
IC50 = 2
Ion Channel
1 µM
Compound EUbOPEN ID
EUB0000307b
SMILES
Cc1c(NC(=O)c2cc(C(N)=O)nc3cc(F)ccc23)c(C(F)(F)F)nn1Cc1ccc(C#N)cc1
InChIKey
BKLJDIJJOOQUFG-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
CSE DYT17 DYT18 DYT9 EIG12 GLUT GLUT-1 GLUT1 GLUT1DS HTLVR PED SDCHCN
Mode of action
Inhibitor
Negative control
BAY-588
Affinity on-target cellular assay type
CellTiter-Glo® Luminescent Cell Viability Assay (DLD1 cells; Promega)
Selectivity platform
Glucose transporter panel, literature
Selectivity platform number of targets
4
Selectivity remarks
Selectivity against other glucose transporters (CellTiter-Glo® Luminescent Cell Viability Assay, Promega): IC50(SLC2A4) = 270 nM, IC50(SLC2A3) = 1.6 µM, IC50(SLC2A2) = 9.4 µM, >100-fold selective; Screened against 468 targets in KinomeScan (DiscoverX) at 1 µM, closest targets as % of contr.: WNK4 (0%), DDR1 (1.5%); Screened against 45 GPCRs (PDSP screen) at 10 µM, closest target: Ki(HRH2) = 8078 nM; Screened in Eurofins-Panlabs radioligand binding assay against 68 enzymes, closest targets: IC50(ADORA3) =1.14 µM, IC50(PTGER4) = 1.12 µM;
Selectivity Source Knowledge
Compound image 
A-079
TRP channel
TRPA1
IC50 = 67
IC50 = 51
Ion Channel
1 µM
Compound EUbOPEN ID
EUB0000308b
SMILES
Clc1cccc(-c2nnnn2Cc2cccnc2)c1Cl
InChIKey
MMPAULQSJLVKHP-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
TRPA1, ANKTM1
Mode of action
Antagonist
Negative control
A-226
Affinity biochemical assay type
FLIPR-based Ca2+ assay (activated by 30 µM AITC)
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
Electrophysiological assay (inhibition of AITC (allylthiocyanate, 100 µmol/L)-evoked currents in HEK293F cells transiently overexpressing hTRPA1)
Selectivity platform
CEREP panel (Eurofins)
Selectivity platform number of targets
75
Selectivity remarks
Screened at 10 µM (radioligand binding assay) against 75 enzymes, GPCRS, transporters, and ion channels, closest targets as % inhibition: to SLC6A3 (43%), SLC6A2 (32%), MTNR1A (31%), >1000-fold selective over other TRP channels (TRPV1, TRPV3, TRPV4, or TRPM8); Screened against 468 kinases (KinomeScan DiscoverX) at 1 µM, closest target as % of contr.: ULK2 (46%) ; Screened against 45 GPCR targets (PDSP screen) at 10 µM, closest targets: Ki(SIGMAR1) =505.48 nM;
Selectivity Source Knowledge
Compound image 
BAY-1797
P2X receptors
P2RX4
IC50 = 211
Ion Channel
1 µM
Compound EUbOPEN ID
EUB0000309b
SMILES
NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2)ccc1Oc1cccc(Cl)c1
InChIKey
CSJYMAFXYMYNCK-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
P2RX4
Mode of action
Inhibitor
Negative control
BAY-207
Affinity on-target cellular assay type
FLIPR assay (inhibition of ATP-induced calcium influx in HEK cells, stably transfected with human P2X4 receptor)
Selectivity platform
Lead profiling screen (Eurofins)
Selectivity platform number of targets
67
Selectivity remarks
Screened against 67 GPCRs, ion channels, kinases and transporters at 10 µM, closest targets: IC50(SLC6A3) = 2.17 µM, IC50(P2RX1) >50 µM, IC50(P2RX2) >30 µM, IC50(P2RX3) = 8.3 µM, IC50(P2RX7) = 10.6 µM; Screened against 468 kinases (KinomeScan DiscoverX) at 1 µM, closest targets as % of contr.: WNK2 (0%), WNK4 (0%), BUB1 (1.6%), EGFR(L747-T751del,Sins) (47%); Screened against 45 GPCR targets at 10 µM (PDPS screen), closest targets: Ki(TMEM97) = 4.34 µM, Ki(ADRA2B) = 4.58 µM, Ki(HTR2C) = 6.52 µM;
Selectivity Source Knowledge
Compound image 
BI-1950
Integrin
ITGAL
Kd = 9
Ion Channel
100 nM
Compound EUbOPEN ID
EUB0000310b
SMILES
C[C@H](NC(=O)c1cnc2n1[C@](C)(Cc1ccc(C#N)cc1)C(=O)N2c1cc(Cl)c(F)c(Cl)c1)C(=O)NC1(c2ccccn2)CC1
InChIKey
JZTTUZXIQIRVAB-FZEVHQGJSA-N
NCBI gene ID
UniProt ID
Synonyms
ITGAL, CD11A
Mode of action
Inhibitor
Negative control
BI-9446
Affinity biochemical assay type
ITGAL binding assay (inhibition of LFA-1 binding to ICAM-1)
Affinity Biochemical Source Knowledge
Selectivity platform
Eurofins Panlabs panel
Selectivity platform number of targets
47
Selectivity remarks
Screened against 47 receptors, ion channel and other enzymes at 10 µM, closest target as % inhibition: CACNA1C (72%), >1000 fold selective against closely related ITGB2 and ITGB1; Screened against 468 kinases (KinomeScan DiscoverX) at 1 µM, closest targets as % of contr.: STK39 (24%), EIF2AK2 (34%), STK38L (49%); Screened against 45 GPCR targets (PDSP screen) at 10 µM, closest target: TMEM97 (26%);
Selectivity Source Knowledge
Compound image 
BAY-3827
Protein Kinase
PRKAA1
IC50 = 7
Kinase set
100 nM
Compound EUbOPEN ID
EUB0000311b
SMILES
CCc1ccccc1C(=O)Nc1n[nH]c2c(C)c(F)c(C3C(C#N)=C(C)N(C)C(C)=C3C#N)cc12
InChIKey
OZFFKOSQNBBYCA-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
AMPKa1
Mode of action
Inhibitor
Negative control
BAY-974
Affinity biochemical assay type
Enzymatic inhibition assay
Affinity Biochemical Source Knowledge
Selectivity platform
KinomeScan (DiscoverX)
Selectivity platform number of targets
468
Selectivity remarks
Screened at 1 µM, in-vitro potencies of closest targets: Kd(RPS6KA3) = 52 nM, Kd(RPS6KA2) = 24 nM, Kd(RPS6KA6) = 36 nM, Kd(FLT3) = 124 nM, Kd(RPS6KA5) = 43 nM, Kd(MST3) = 94 nM
Selectivity Source Knowledge
Compound image 
BAY-3827
Protein Kinase
RPS6KA1
IC50 = 9.1
Kinase set
100 nM
Compound EUbOPEN ID
EUB0000311b
SMILES
CCc1ccccc1C(=O)Nc1n[nH]c2c(C)c(F)c(C3C(C#N)=C(C)N(C)C(C)=C3C#N)cc12
InChIKey
OZFFKOSQNBBYCA-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
RSK3, HU-2
Mode of action
Inhibitor
Negative control
BAY-974
Affinity biochemical assay type
Enzymatic inhibition assay
Affinity Biochemical Source Knowledge
Selectivity platform
KinomeScan (DiscoverX)
Selectivity platform number of targets
468
Selectivity remarks
Screened at 1 µM, in-vitro potencies of closest targets: Kd(RPS6KA3) = 52 nM, Kd(RPS6KA2) = 24 nM, Kd(RPS6KA6) = 36 nM, Kd(FLT3) = 124 nM, Kd(RPS6KA5) = 43 nM, Kd(MST3) = 94 nM
Selectivity Source Knowledge
Compound image 
TP-008
Protein Kinase
TGFBR1
IC50 = 25
IC50 = 245
Kinase set
1 µM
Compound EUbOPEN ID
EUB0000312b
SMILES
Cc1ncc(-c2cc(Cl)ccc2F)cc1-n1c(=O)n(CC(N)=O)c2cnccc21
InChIKey
HSCQDYRIKMDIJX-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
ALK-5, ACVRLK4, ALK5, TBRI, TBR-i
Mode of action
Inhibitor
Negative control
Al11
Affinity biochemical assay type
Lathascreen (Takeda)
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
Reporter gene assay
Selectivity platform
KinomeScan (DiscoverX)
Selectivity platform number of targets
70
Selectivity remarks
Screened at 1 µM, closest targets as % contr.: PIK3CA (33.9%), DDR1 (36.7%), JAK1 (38.6%), PNCK (39.5%), MAPK9 (39.6%), all >20 µM in NanoBRET cellular assays (HEK293T cells)
Selectivity Source Knowledge
Compound image 
TP-008
Protein Kinase
ACVR1B
IC50 = 126
IC50 = 526
Kinase set
1 µM
Compound EUbOPEN ID
EUB0000312b
SMILES
Cc1ncc(-c2cc(Cl)ccc2F)cc1-n1c(=O)n(CC(N)=O)c2cnccc21
InChIKey
HSCQDYRIKMDIJX-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
ALK4, SKR2, ActRIB
Mode of action
Inhibitor
Negative control
Al11
Affinity biochemical assay type
Radioactive kinase assay (ACVR1B)
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
Reporter gene assay
Selectivity platform
KinomeScan (DiscoverX)
Selectivity platform number of targets
70
Selectivity remarks
Screened at 1 µM, closest targets as % contr.: PIK3CA (33.9%), DDR1 (36.7%), JAK1 (38.6%), PNCK (39.5%), MAPK9 (39.6%), all >20 µM in NanoBRET cellular assays (HEK293T cells)
Selectivity Source Knowledge
Compound image 
MSD-CYP11B2
P450
CYP11B2
IC50 = 2.3
Other targets
100 nM
Compound EUbOPEN ID
EUB0000313b
SMILES
CC(C)(O)c1cncc(-c2nc3ccc(F)cc3n2C2CC2)c1
InChIKey
OAMLIJKKGZLNHE-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
CYP11BL, CPN2, P-450C18, P450aldo, ALDOS
Mode of action
Inhibitor
Negative control
MSD-CYP11B2 negative control
Affinity on-target cellular assay type
HTRF-based assay (V79 cell lines, CisBio)
Selectivity platform
KinomeScan (DiscoverX)
Selectivity platform number of targets
468
Selectivity remarks
Screened at 1 µM, closest targets as % of control: DYRK1B (44%), DYRK1A (48%); Screened against 45 GPCR targets (PDSP screen) at 10 µM, closest targets: Ki(ADRA2C) = 625.6 nM, Ki(ADRA2B) = 1439.1 nM, Ki(HTR2B) = 1537.5 nM, Ki(ADRB1) = 2370.3 nM; Screened in Eurofins-Panlabs radioligand binding assays against 43 targets at 10 µM, closest targets: IC50(ADRA2B) = 4.7 nM, IC50(HTR2B) = 5.33 nM, IC50(ADRB1) =9.62 nM;
Compound image 
BI-653048
Nuclear-receptor
NR3C1
IC50 = 55
NR set
1 µM
Compound EUbOPEN ID
EUB0000314b
SMILES
CCS(=O)(=O)c1cc2cc(C[C@](O)(CC(C)(C)c3ccc(F)cc3C(N)=O)C(F)(F)F)[nH]c2cn1
InChIKey
AUIFRJWXYUNPPV-QFIPXVFZSA-N
NCBI gene ID
UniProt ID
Synonyms
GR
Mode of action
Agonist
Negative control
BI-3047
Affinity biochemical assay type
Fluorescence polarization assay
Affinity Biochemical Source Knowledge
Selectivity remarks
> 100 fold selective against related nuclear receptors (PGR, NR3C2, ESR1, AR); Screened against 45 GPCR targets (PDSP screen) at 10 µM, closest target as % of contr: DRD5 (34%); Screened against 49 targets (Eurofins-Panlabs panel at Boehringer Ingelheim) at 10 µM: clean profile; Screened against 468 kinases (KinomeScan DiscoverX) at 1 µM, closest targets as % of contr.: LATS2(40%)
Selectivity Source Knowledge
Compound image 
TP-020
Transferase
MGAT2
IC50 = 7.8
IC50 = 160
Other targets
1 µM
Compound EUbOPEN ID
EUB0000315b
SMILES
Cn1nc(C(F)(F)F)cc1-c1cnc(N2CCc3cc(S(=O)(=O)Nc4c(F)cc(Cl)cc4F)cc(N4CCCC4=O)c32)nc1
InChIKey
VSZRYLHBOKTNBO-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
MGAT2
Mode of action
Inhibitor
Negative control
TP-020n
Affinity biochemical assay type
RapidFire/MS assay
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
Cell-based assay
Selectivity remarks
High selectivity over other acyltransferases, >100-fold over mouse MGAT1 (IC50 = 2.6 µM), >1000-fold over human DGAT1 (IC50 > 30 µM), human DGAT2 (IC50 > 30 µM), human ACAT1 (IC50 = 19 µM); Screened against 468 kinases (KinomeScan DiscoverX) at 1 µM, closest targets as % of contr.: MARK3 (12%), FLT3(ITD,F691L) (32%), SRPK2 (34%); Screened against 45 GPCR targets (PDSP screen) at 10 µM, closest target: Ki(HTR1D) = 4.65 µM
Selectivity Source Knowledge
Compound image 
MRL-CB1-NC
GPCR
CNR1
Negative Control
GPCR set
1 µM
Compound EUbOPEN ID
EUB0000316b
SMILES
[O-][N+](C1=CC(Cl)=C(NC2=CC(CCC(N3)=O)=C3C=C2)C=C1OC4CCOCC4)=O
InChIKey
RRELDGDKULRRDM-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
CB1K5, CB-R, CB1, CANN6, CB1A
Mode of action
Negative control for MRL-650
Affinity Biochemical Source Knowledge
Compound image 
TP-021
Apoptosis regulator
BCL6
IC50 = 100
Epigenetic set
1 µM
Compound EUbOPEN ID
EUB0000316c
SMILES
O=C1CCc2cc(Nc3cc(OC4CCOCC4)c([N+](=O)[O-])cc3Cl)ccc2N1
InChIKey
RRELDGDKULRRDM-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
BCL6, BCL5, LAZ3, ZBTB27, ZNF51
Mode of action
Inhibitor
Negative control
TP-021n
Affinity biochemical assay type
Cell-free enzyme-linked immunosorbent assay (ELISA)
Affinity Biochemical Source Knowledge
Selectivity platform
KinomeScan (DiscoverX)
Selectivity platform number of targets
468
Selectivity remarks
Screened at 1 µM, closest targets as % of contrl.: NEK1 (40%), STK38L (41%), EIF2AK2 (46%); Screen against 45 GPCR targets (PDSP screen) at 10 µM, closest target as % inhibition: CHRM4 (49%); Clean in Takeda in-house kinase panel against 344 targets, at 1 µM; compound is protein-protein inhibitor targetting non-conserved sites.
Selectivity Source Knowledge
Compound image 
TP-024
GPCR
GPR52
EC50 = 93
GPCR set
1 µM
Compound EUbOPEN ID
EUB0000317b
SMILES
Cc1cc(-n2nc(Cc3cc(F)cc(C(F)(F)F)c3)nc2C)ccc1C(N)=O
InChIKey
TYXSIXOYTBHZFA-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Mode of action
Agonist
Negative control
TP-024n
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
Cell-based cAMP assay
Selectivity platform
GPCR screen (PDSP)
Selectivity platform number of targets
45
Selectivity remarks
Screened at 10 µM, closest target as % of inhibition: HTR7 (21%); Screened against 468 kinases (KinomeScan DiscoverX) at 1 µM, closest target as % of contr.: STK38L (49%); Clean in Diversity panel screen (by Ricerca) against>100 targets, at 10 µM
Selectivity Source Knowledge
Compound image 
BI-2545
Hydrolase
ENPP2
IC50 = 2.2
IC50 = 29
Other targets
1 µM
Compound EUbOPEN ID
EUB0000318b
SMILES
O=C(NC[C@H]1[C@@H]2CN(C(=O)OCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C[C@H]12)c1ccc2nn[nH]c2c1
InChIKey
ZDOBSAPHUUUOHX-OSYLJGHBSA-N
NCBI gene ID
UniProt ID
Synonyms
ENPP2, ATX, PDNP2
Mode of action
Inhibitor
Negative control
BI-3017
Affinity biochemical assay type
Biochemical assay (LPA measurement)
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
Inhibition of Autotaxin (whole blood assay)
Affinity on-target cellular source knowledge
Selectivity platform
KinomeScan (DiscoverX)
Selectivity platform number of targets
468
Selectivity remarks
Screened at 1 µM, closest targets as % of contr.: ASK (13%), NEK1 (44%); Screened at 10 µM against 45 GPCRs (PDSP screen), in-vitro potencies of closest targets: Ki(GABA/PBR) = 2.56 µM, Ki(SIGMAR1) =3.55 µM; Screened at 10 µM against 44 other enzymes (CEREP selectivity screen), closest targets as % inhibition: CACNA1C (80%), SCN1B (66%), SLC6A2 (61%), HTR2A (55%)
Selectivity Source Knowledge
Compound image 
BAY-293
Guanine-nucleotide releasing factor
SOS1
IC50 = 21
IC50 = 200
Other targets
1 µM
Compound EUbOPEN ID
EUB0000320b
SMILES
CNCc1ccccc1-c1csc([C@@H](C)Nc2nc(C)nc3cc(OC)c(OC)cc23)c1
InChIKey
WEGLOYDTDILXDA-OAHLLOKOSA-N
NCBI gene ID
UniProt ID
Synonyms
SOS1
Mode of action
Inhibitor
Negative control
BAY-294
Affinity biochemical assay type
KRASG12C–SOS1cat interaction assay
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
ELISA (Active RAS in Calu-1 cells (CLS 300141))
Selectivity platform
KinomeScan (DiscoverX)
Selectivity platform number of targets
468
Selectivity remarks
Screened at 1 µM, closest targets as % of contr.: STK33 (45%), MYO3B (47%), FLT3(ITD,D835V) (48%), BMX (49%); Screened against 358 kinases (Eurofins panel) at 1 µM, closest target as % of contr.: CK2A2 (67%); Screened against 45 GPCR targets (PDSP screen) at 10 µM, closest targets: Ki(HTR2A) = 133.44 nM, Ki(ADRA2C) = 130.87 nM, Ki(HRH2) = 139.82 nM, Ki(HTR1D) = 181.12 nM, Ki(TMEM97) = 179.81 nM, Ki(CHRM1) = 237.75 nM, Ki(ADRA1D) = 337.65 nM, further GPCRs and transporters inhibited but not considered causative for on-target and downstream cellular effects or antiproliferative activity; Lead profiling screen (Eurofins) against 77 GPCRs, transporters, nuclear receptors and enzymes at 10 µM, closest targets as % inhibition: HTR2A (110%), ADRA1A (106%), OPRK1 (105%),HTR2C (104%), HTR2B (100%); Screened against 358 targets (Eurofins Kinase panel) at 1 µM: clean profile (all tested kinases retain activity > 67%), GEFs: IC50 > 20 µM on SOS2 (KRAS(G12C)–SOS2(cat) activation assay) and MCF2L (CDC42 activation by DBS assay)
Selectivity Source Knowledge
Compound image 
T3-CLK
Protein Kinase
CLK1
IC50 = 0.67
IC50 = 4
Kinase set
100 nM
Compound EUbOPEN ID
EUB0000321b
SMILES
CN1CCN(C(=O)C(C)(C)c2ccc(C(=O)Nc3cn4cc(-c5ccncc5)ccc4n3)cc2)CC1
InChIKey
IEFFSHLHNYVSEF-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Mode of action
Inhibitor
Negative control
T3-CLK-N
Affinity biochemical assay type
Enzymatic inhibition assay
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
NanoBRET assay (HEK293T cells)
Selectivity platform
KinomeScan (DiscoverX)
Selectivity platform number of targets
468
Selectivity remarks
Screened at 100 nM, closest targets as % of contr.: DYRK1A (0.3%), DYRK1B (4.4%), MAP2K5 (4.9%), KIT (14%), MAP3K5 (19%), PDGFRB (24%), PDGFRA (29%); IC50 follow up in cellular NanoBRET assays: IC50(DYRK1A) = 32 nM, IC50(DYRK1B) = 67 nM, IC50(MAP2K5) >10 µM, IC50(KIT) = 2.44 µM, IC50(MAP3K5) >10 µM, IC50(PDGFRB) = 3 µM, IC50(PDGFRA) = 2.52 µM
Selectivity Source Knowledge
Compound image 
T3-CLK
Protein Kinase
CLK2
IC50 = 15
IC50 = 17
Kinase set
100 nM
Compound EUbOPEN ID
EUB0000321b
SMILES
CN1CCN(C(=O)C(C)(C)c2ccc(C(=O)Nc3cn4cc(-c5ccncc5)ccc4n3)cc2)CC1
InChIKey
IEFFSHLHNYVSEF-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Mode of action
Inhibitor
Negative control
T3-CLK-N
Affinity biochemical assay type
Enzymatic inhibition assay
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
NanoBRET assay (HEK293T cells)
Selectivity platform
KinomeScan (DiscoverX)
Selectivity platform number of targets
468
Selectivity remarks
Screened at 100 nM, closest targets as % of contr.: DYRK1A (0.3%), DYRK1B (4.4%), MAP2K5 (4.9%), KIT (14%), MAP3K5 (19%), PDGFRB (24%), PDGFRA (29%); IC50 follow up in cellular NanoBRET assays: IC50(DYRK1A) = 32 nM, IC50(DYRK1B) = 67 nM, IC50(MAP2K5) >10 µM, IC50(KIT) = 2.44 µM, IC50(MAP3K5) >10 µM, IC50(PDGFRB) = 3 µM, IC50(PDGFRA) = 2.52 µM
Selectivity Source Knowledge
Compound image 
T3-CLK
Protein Kinase
CLK3
IC50 = 110
Kinase set
100 nM
Compound EUbOPEN ID
EUB0000321b
SMILES
CN1CCN(C(=O)C(C)(C)c2ccc(C(=O)Nc3cn4cc(-c5ccncc5)ccc4n3)cc2)CC1
InChIKey
IEFFSHLHNYVSEF-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Mode of action
Inhibitor
Negative control
T3-CLK-N
Affinity biochemical assay type
Enzymatic inhibition assay
Affinity Biochemical Source Knowledge
Selectivity platform
KinomeScan (DiscoverX)
Selectivity platform number of targets
468
Selectivity remarks
Screened at 100 nM, closest targets as % of contr.: DYRK1A (0.3%), DYRK1B (4.4%), MAP2K5 (4.9%), KIT (14%), MAP3K5 (19%), PDGFRB (24%), PDGFRA (29%); IC50 follow up in cellular NanoBRET assays: IC50(DYRK1A) = 32 nM, IC50(DYRK1B) = 67 nM, IC50(MAP2K5) >10 µM, IC50(KIT) = 2.44 µM, IC50(MAP3K5) >10 µM, IC50(PDGFRB) = 3 µM, IC50(PDGFRA) = 2.52 µM
Selectivity Source Knowledge
Compound image 
T3-CLK
Protein Kinase
CLK4
IC50 = 2
Kinase set
100 nM
Compound EUbOPEN ID
EUB0000321b
SMILES
CN1CCN(C(=O)C(C)(C)c2ccc(C(=O)Nc3cn4cc(-c5ccncc5)ccc4n3)cc2)CC1
InChIKey
IEFFSHLHNYVSEF-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Mode of action
Inhibitor
Negative control
T3-CLK-N
Affinity on-target cellular assay type
NanoBRET assay (HEK293T cells)
Selectivity platform
KinomeScan (DiscoverX)
Selectivity platform number of targets
468
Selectivity remarks
Screened at 100 nM, closest targets as % of contr.: DYRK1A (0.3%), DYRK1B (4.4%), MAP2K5 (4.9%), KIT (14%), MAP3K5 (19%), PDGFRB (24%), PDGFRA (29%); IC50 follow up in cellular NanoBRET assays: IC50(DYRK1A) = 32 nM, IC50(DYRK1B) = 67 nM, IC50(MAP2K5) >10 µM, IC50(KIT) = 2.44 µM, IC50(MAP3K5) >10 µM, IC50(PDGFRB) = 3 µM, IC50(PDGFRA) = 2.52 µM
Selectivity Source Knowledge
Compound image 
OF-1
Bromodomain
BRPF1@BRD
Kd = 101
IC50 = 80
Epigenetic set
1 µM
Compound EUbOPEN ID
EUB0000323b
SMILES
COC1=CC(N2C)=C(C=C1NS(=O)(C3=CC=C(C=C3C)Br)=O)N(C)C2=O
InChIKey
YUNQZQREIHWDQT-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
BR140
Mode of action
Inhibitor
Affinity biochemical assay type
ITC
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
NanoBRET assay (HEK293T cells)
Selectivity platform
Bromodomain panel, literature
Selectivity platform number of targets
49
Selectivity remarks
Screened in DSF-panel, closest target: dTm(BRD4, BD1) = 2.1 K; In vitro follow-up with AlphaScreen: IC50(BRD4, BD1) >10 µM, ITC: Kd(BRD4, BD1) = 3.9 µM; Screened in CEREB panel against 56 GPCRs, ion channels and transporters at 10 µM, closest targtes as % inhibition: A1 (82%), 5-HT6 (54%), A3 (53%);
Selectivity Source Knowledge
Compound image 
OF-1
Bromodomain
BRD1@BRD
Kd = 505
Epigenetic set
1 µM
Compound EUbOPEN ID
EUB0000323b
SMILES
COC1=CC(N2C)=C(C=C1NS(=O)(C3=CC=C(C=C3C)Br)=O)N(C)C2=O
InChIKey
YUNQZQREIHWDQT-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
BRL, BRPF2
Mode of action
Inhibitor
Affinity biochemical assay type
ITC
Affinity Biochemical Source Knowledge
Selectivity platform
Bromodomain panel, literature
Selectivity platform number of targets
49
Selectivity remarks
Screened in DSF-panel, closest target: dTm(BRD4, BD1) = 2.1 K; In vitro follow-up with AlphaScreen: IC50(BRD4, BD1) >10 µM, ITC: Kd(BRD4, BD1) = 3.9 µM; Screened in CEREB panel against 56 GPCRs, ion channels and transporters at 10 µM, closest targtes as % inhibition: A1 (82%), 5-HT6 (54%), A3 (53%);
Selectivity Source Knowledge
Compound image 
OF-1
Bromodomain
BRPF3@BRD
Kd = 2406
Epigenetic set
1 µM
Compound EUbOPEN ID
EUB0000323b
SMILES
COC1=CC(N2C)=C(C=C1NS(=O)(C3=CC=C(C=C3C)Br)=O)N(C)C2=O
InChIKey
YUNQZQREIHWDQT-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
KIAA1286
Mode of action
Inhibitor
Affinity biochemical assay type
ITC
Affinity Biochemical Source Knowledge
Selectivity platform
Bromodomain panel, literature
Selectivity platform number of targets
49
Selectivity remarks
Screened in DSF-panel, closest target: dTm(BRD4, BD1) = 2.1 K; In vitro follow-up with AlphaScreen: IC50(BRD4, BD1) >10 µM, ITC: Kd(BRD4, BD1) = 3.9 µM; Screened in CEREB panel against 56 GPCRs, ion channels and transporters at 10 µM, closest targtes as % inhibition: A1 (82%), 5-HT6 (54%), A3 (53%);
Selectivity Source Knowledge
Compound image 
A-486
HAT
EP300@Acetyltransferase
Negative Control
Epigenetic set
1 µM
Compound EUbOPEN ID
EUB0000326a
SMILES
C[C@H](N(C(CN1C([C@]2(OC1=O)CCC3=C2C=C(NC(NC)=O)C=C3)=O)=O)CC4=CC=C(F)C=C4)C(F)(F)F
InChIKey
MTTJOZOOUCZVHO-BSEYFRJRSA-N
NCBI gene ID
UniProt ID
Synonyms
p300, KAT3B
Mode of action
Negative control for A-485
Affinity Biochemical Source Knowledge
Compound image 
A-486
HAT
CREBBP@Acetyltransferase
Negative Control
Epigenetic set
1 µM
Compound EUbOPEN ID
EUB0000326a
SMILES
C[C@H](N(C(CN1C([C@]2(OC1=O)CCC3=C2C=C(NC(NC)=O)C=C3)=O)=O)CC4=CC=C(F)C=C4)C(F)(F)F
InChIKey
MTTJOZOOUCZVHO-BSEYFRJRSA-N
NCBI gene ID
UniProt ID
Synonyms
RTS, CBP, KAT3A
Mode of action
Negative control for A-485
Affinity Biochemical Source Knowledge
Compound image 
WM-2474
HAT
MYST3@Acetyltransferase
Negative Control
Epigenetic set
1 µM
Compound EUbOPEN ID
EUB0000327a
SMILES
FC1=CC=C(C2=CC=NN=C2)C=C1C(NNS(C3=CC=CC=C3)(=O)=O)=O
InChIKey
WYMCVPPNOFFNGE-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
MOZ, ZC2HC6A
Mode of action
Negative control for WM-1119
Affinity Biochemical Source Knowledge
Compound image 
WM-2474
HAT
MYST4@Acetyltransferase
Negative Control
Epigenetic set
1 µM
Compound EUbOPEN ID
EUB0000327a
SMILES
FC1=CC=C(C2=CC=NN=C2)C=C1C(NNS(C3=CC=CC=C3)(=O)=O)=O
InChIKey
WYMCVPPNOFFNGE-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
querkopf, qkf, Morf, MOZ2, ZC2HC6B
Mode of action
Negative control for WM-1119
Affinity Biochemical Source Knowledge
Compound image 
A-485
HAT
EP300@Acetyltransferase
IC50 = 10
Epigenetic set
1 µM
Compound EUbOPEN ID
EUB0000328a
SMILES
C[C@H](N(C(CN1C([C@]2(OC1=O)CCC3=CC(NC(NC)=O)=CC=C23)=O)=O)CC4=CC=C(F)C=C4)C(F)(F)F
InChIKey
VRVJKILQRBSEAG-BSEYFRJRSA-N
NCBI gene ID
UniProt ID
Synonyms
p300, KAT3B
Mode of action
Inhibitor
Negative control
A-486
Affinity biochemical assay type
TR-FRET assay (BHC domains)
Affinity Biochemical Source Knowledge
Selectivity remarks
Selective against other available HATs (MYST3, MYST4, PCAF, HAT1, TIP60 and GCN5L2); Screened in KinomeScan (DiscoverX) against 468 targets at 10 µM, clostest targets as % of contr.: PRKCE (22%), LATS2 (47%), ABL1(H396P)-nonphosphorylated (49%); Screened against 45 GPCR targets, closest targets: Ki(SLC6A4) = 223.27 nM, Ki(GABA/PBR) = 1107.62 nM, Ki(HTR2B) = 1292.04 nM, Ki(SLC6A3) = 1817.04;Cerep ligand profiling against 83 targets, at 10 µM, closest targets as % inhibition: SLC6A4 (99%), SLC6A3 (94%);
Selectivity Source Knowledge
Compound image 
A-485
HAT
CREBBP@Acetyltransferase
IC50 = 3
Epigenetic set
1 µM
Compound EUbOPEN ID
EUB0000328a
SMILES
C[C@H](N(C(CN1C([C@]2(OC1=O)CCC3=CC(NC(NC)=O)=CC=C23)=O)=O)CC4=CC=C(F)C=C4)C(F)(F)F
InChIKey
VRVJKILQRBSEAG-BSEYFRJRSA-N
NCBI gene ID
UniProt ID
Synonyms
RTS, CBP, KAT3A
Mode of action
Inhibitor
Negative control
A-486
Affinity biochemical assay type
TR-FRET assay (BHC domains)
Affinity Biochemical Source Knowledge
Selectivity remarks
Selective against other available HATs (MYST3, MYST4, PCAF, HAT1, TIP60 and GCN5L2); Screened in KinomeScan (DiscoverX) against 468 targets at 10 µM, clostest targets as % of contr.: PRKCE (22%), LATS2 (47%), ABL1(H396P)-nonphosphorylated (49%); Screened against 45 GPCR targets, closest targets: Ki(SLC6A4) = 223.27 nM, Ki(GABA/PBR) = 1107.62 nM, Ki(HTR2B) = 1292.04 nM, Ki(SLC6A3) = 1817.04;Cerep ligand profiling against 83 targets, at 10 µM, closest targets as % inhibition: SLC6A4 (99%), SLC6A3 (94%);
Selectivity Source Knowledge
Compound image 
WM-1119
HAT
MYST3@Acetyltransferase
Kd = 2
Epigenetic set
1 µM
Compound EUbOPEN ID
EUB0000329a
SMILES
FC1=CC=CC=C1S(NNC(C2=CC(F)=CC(C3=NC=CC=C3)=C2)=O)(=O)=O
InChIKey
QLXULUNLCRKWRD-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
MOZ, ZC2HC6A
Mode of action
Inhibitor
Negative control
WM-2474
Affinity biochemical assay type
Surface plasmon resonance (SPR)
Affinity Biochemical Source Knowledge
Selectivity platform
HAT panel, literature
Selectivity platform number of targets
6
Selectivity remarks
> 200-fold selective on all other HATs tested; No significant activity on 166 targets at 10 µM (kinases, GPCRs, HDACs, phosphatases etc.), no target was affected by more than 50%, closest hits in the GPCR scan: Ki(DRD2) = 397.52 nM, GABAA/BZP (75.65 % inhibition)
Selectivity Source Knowledge
Compound image 
WM-1119
HAT
MYST4@Acetyltransferase
IC50 = 6.3
Epigenetic set
1 µM
Compound EUbOPEN ID
EUB0000329a
SMILES
FC1=CC=CC=C1S(NNC(C2=CC(F)=CC(C3=NC=CC=C3)=C2)=O)(=O)=O
InChIKey
QLXULUNLCRKWRD-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
querkopf, qkf, Morf, MOZ2, ZC2HC6B
Mode of action
Inhibitor
Negative control
WM-2474
Affinity on-target cellular assay type
HAT binding assay
Selectivity platform
HAT panel, literature
Selectivity platform number of targets
6
Selectivity remarks
> 200-fold selective on all other HATs tested; No significant activity on 166 targets at 10 ?M (Kinases, GPCRs, HDACs, phosphatases etc.), no target was affected by more than 50%, closest hits in the GPCR scan: Ki(DRD2) = 397.52 nM, GABAA/BZP (75.65 % inhibition)
Selectivity Source Knowledge
Compound image 
(+)-JQ1
Bromodomain
BRD4@BD1
Kd = 49
Epigenetic set
1 µM
Compound EUbOPEN ID
EUB0000330a
SMILES
O=C(C[C@@H]1N=C(C2=C(N3C1=NN=C3C)SC(C)=C2C)C4=CC=C(C=C4)Cl)OC(C)(C)C
InChIKey
DNVXATUJJDPFDM-KRWDZBQOSA-N
NCBI gene ID
UniProt ID
Synonyms
HUNKI, MCAP, CAP, HUNK1
Mode of action
Inhibitor
Negative control
(-)-JQ1
Affinity biochemical assay type
Isothermal titration calorimetry (ITC)
Affinity Biochemical Source Knowledge
Selectivity platform
Bromodomain panel, literature
Selectivity platform number of targets
37
Selectivity remarks
Screened at 10 µM in DSF-assay, closest target: dTM(CREBBP) = 1.04 K, inactive in CEREP assay; Screened at 1 µM in CEREP panel against 55 ligand receptors, ion channels and transporters, clean profile;
Selectivity Source Knowledge
Compound image 
(+)-JQ1
Bromodomain
BRD4@BD2
Kd = 90.1
Epigenetic set
1 µM
Compound EUbOPEN ID
EUB0000330a
SMILES
O=C(C[C@@H]1N=C(C2=C(N3C1=NN=C3C)SC(C)=C2C)C4=CC=C(C=C4)Cl)OC(C)(C)C
InChIKey
DNVXATUJJDPFDM-KRWDZBQOSA-N
NCBI gene ID
UniProt ID
Synonyms
HUNKI, MCAP, CAP, HUNK1
Mode of action
Inhibitor
Negative control
(-)-JQ1
Affinity biochemical assay type
Isothermal titration calorimetry (ITC)
Affinity Biochemical Source Knowledge
Selectivity platform
Bromodomain panel, literature
Selectivity platform number of targets
37
Selectivity remarks
Screened at 10 µM in DSF-assay, closest target: dTM(CREBBP) = 1.04 K, inactive in CEREP assay; Screened at 1 µM in CEREP panel against 55 ligand receptors, ion channels and transporters, clean profile;
Selectivity Source Knowledge
Compound image 
(+)-JQ1
Bromodomain
BRD2@BD1
Kd = 128.4
Epigenetic set
1 µM
Compound EUbOPEN ID
EUB0000330a
SMILES
O=C(C[C@@H]1N=C(C2=C(N3C1=NN=C3C)SC(C)=C2C)C4=CC=C(C=C4)Cl)OC(C)(C)C
InChIKey
DNVXATUJJDPFDM-KRWDZBQOSA-N
NCBI gene ID
UniProt ID
Synonyms
KIAA9001, RING3, D6S113E, NAT, FSRG1
Mode of action
Inhibitor
Negative control
(-)-JQ1
Affinity biochemical assay type
Isothermal titration calorimetry (ITC)
Affinity Biochemical Source Knowledge
Selectivity platform
Bromodomain panel, literature
Selectivity platform number of targets
37
Selectivity remarks
Screened at 10 µM in DSF-assay, closest target: dTM(CREBBP) = 1.04 K, inactive in CEREP assay; Screened at 1 µM in CEREP panel against 55 ligand receptors, ion channels and transporters, clean profile;
Selectivity Source Knowledge
Compound image 
(+)-JQ1
Bromodomain
BRD2@BD2
Epigenetic set
1 µM
Compound EUbOPEN ID
EUB0000330a
SMILES
O=C(C[C@@H]1N=C(C2=C(N3C1=NN=C3C)SC(C)=C2C)C4=CC=C(C=C4)Cl)OC(C)(C)C
InChIKey
DNVXATUJJDPFDM-KRWDZBQOSA-N
NCBI gene ID
UniProt ID
Synonyms
KIAA9001, RING3, D6S113E, NAT, FSRG1
Mode of action
Inhibitor
Negative control
(-)-JQ1
Selectivity platform
Bromodomain panel, literature
Selectivity platform number of targets
37
Selectivity remarks
Screened at 10 µM in DSF-assay, closest target: dTM(CREBBP) = 1.04 K, inactive in CEREP assay; Screened at 1 µM in CEREP panel against 55 ligand receptors, ion channels and transporters, clean profile;
Selectivity Source Knowledge
Compound image 
(+)-JQ1
Bromodomain
BRD3@BD1
Kd = 59.5
Epigenetic set
1 µM
Compound EUbOPEN ID
EUB0000330a
SMILES
O=C(C[C@@H]1N=C(C2=C(N3C1=NN=C3C)SC(C)=C2C)C4=CC=C(C=C4)Cl)OC(C)(C)C
InChIKey
DNVXATUJJDPFDM-KRWDZBQOSA-N
NCBI gene ID
UniProt ID
Synonyms
RING3L, ORFX, KIAA0043
Mode of action
Inhibitor
Negative control
(-)-JQ1
Affinity biochemical assay type
Isothermal titration calorimetry (ITC)
Affinity Biochemical Source Knowledge
Selectivity platform
Bromodomain panel, literature
Selectivity platform number of targets
37
Selectivity remarks
Screened at 10 µM in DSF-assay, closest target: dTM(CREBBP) = 1.04 K, inactive in CEREP assay; Screened at 1 µM in CEREP panel against 55 ligand receptors, ion channels and transporters, clean profile;
Selectivity Source Knowledge
Compound image 
(+)-JQ1
Bromodomain
BRD3@BD2
Kd = 82
Epigenetic set
1 µM
Compound EUbOPEN ID
EUB0000330a
SMILES
O=C(C[C@@H]1N=C(C2=C(N3C1=NN=C3C)SC(C)=C2C)C4=CC=C(C=C4)Cl)OC(C)(C)C
InChIKey
DNVXATUJJDPFDM-KRWDZBQOSA-N
NCBI gene ID
UniProt ID
Synonyms
RING3L, ORFX, KIAA0043
Mode of action
Inhibitor
Negative control
(-)-JQ1
Affinity biochemical assay type
Isothermal titration calorimetry (ITC)
Affinity Biochemical Source Knowledge
Selectivity platform
Bromodomain panel, literature
Selectivity platform number of targets
37
Selectivity remarks
Screened at 10 µM in DSF-assay, closest target: dTM(CREBBP) = 1.04 K, inactive in CEREP assay; Screened at 1 µM in CEREP panel against 55 ligand receptors, ion channels and transporters, clean profile;
Selectivity Source Knowledge
Compound image 
(+)-JQ1
Bromodomain
BRDT@BD1
Kd = 190.1
Epigenetic set
1 µM
Compound EUbOPEN ID
EUB0000330a
SMILES
O=C(C[C@@H]1N=C(C2=C(N3C1=NN=C3C)SC(C)=C2C)C4=CC=C(C=C4)Cl)OC(C)(C)C
InChIKey
DNVXATUJJDPFDM-KRWDZBQOSA-N
NCBI gene ID
UniProt ID
Synonyms
BRD6, CT9
Mode of action
Inhibitor
Negative control
(-)-JQ1
Affinity biochemical assay type
Isothermal titration calorimetry (ITC)
Affinity Biochemical Source Knowledge
Selectivity platform
Bromodomain panel, literature
Selectivity platform number of targets
37
Selectivity remarks
Screened at 10 µM in DSF-assay, closest target: dTM(CREBBP) = 1.04 K, inactive in CEREP assay; Screened at 1 µM in CEREP panel against 55 ligand receptors, ion channels and transporters, clean profile;
Selectivity Source Knowledge
Compound image 
(+)-JQ1
Bromodomain
BRDT@BD2
Epigenetic set
1 µM
Compound EUbOPEN ID
EUB0000330a
SMILES
O=C(C[C@@H]1N=C(C2=C(N3C1=NN=C3C)SC(C)=C2C)C4=CC=C(C=C4)Cl)OC(C)(C)C
InChIKey
DNVXATUJJDPFDM-KRWDZBQOSA-N
NCBI gene ID
UniProt ID
Synonyms
BRD6, CT9
Mode of action
Inhibitor
Negative control
(-)-JQ1
Selectivity platform
Bromodomain panel, literature
Selectivity platform number of targets
37
Selectivity remarks
Screened at 10 µM in DSF-assay, closest target: dTM(CREBBP) = 1.04 K, inactive in CEREP assay; Screened at 1 µM in CEREP panel against 55 ligand receptors, ion channels and transporters, clean profile;
Selectivity Source Knowledge
Compound image 
A-769
GPCR
DRD4
Negative Control
GPCR set
100 nM
Compound EUbOPEN ID
EUB0000332a
SMILES
CSc1ccncc1N2CCN(Cc3nc4ccccc4[nH]3)CC2
InChIKey
MGBNTFOCYSALPQ-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Mode of action
Negative control for ABT-724
Affinity Biochemical Source Knowledge
Compound image 
BAY-448
GPCR
F2R
Negative Control
GPCR set
100 nM
Compound EUbOPEN ID
EUB0000333a
SMILES
Cc1nc([C@H]2C[C@H](CN(C2)C(N2CCS(C2)(=O)=O)=O)c2ccc(cc2)C(F)(F)F)on1
InChIKey
BCJOKAFRZRDMFV-CABCVRRESA-N
NCBI gene ID
UniProt ID
Synonyms
TR, CF2R, PAR1, PAR-1
Mode of action
Negative control for BAY-386
Affinity Biochemical Source Knowledge
Compound image 
CRTH2 negative control
GPCR
PTGDR2
Negative Control
GPCR set
100 nM
Compound EUbOPEN ID
EUB0000334a
SMILES
CN([C@@H]1CCc2c(CC(O)=O)c3cc(ccc3n2C1)S(C)(=O)=O)S(c1ccc(cc1)F)(=O)=O
InChIKey
BEMUNJONNGSREM-OAHLLOKOSA-N
NCBI gene ID
UniProt ID
Synonyms
CRTH2, CD294, DP2
Mode of action
Negative control for CRTH2
Affinity Biochemical Source Knowledge
Compound image 
BAY-786
GPCR
GNRHR
Negative Control
GPCR set
1 µM
Compound EUbOPEN ID
EUB0000335a
SMILES
C1CC1[C@@H]1C2(CCS(CC2)(=O)=O)c2cc(ccc2N1S(c1ccc(cc1)F)(=O)=O)C(NCc1c(cc(cn1)C(F)(F)F)[Cl])=O
InChIKey
PZGSYNNVPNLHQG-AREMUKBSSA-N
NCBI gene ID
UniProt ID
Synonyms
LHRHR
Mode of action
Negative control for BAY-784
Affinity Biochemical Source Knowledge
Compound image 
TP-024n
GPCR
GPR52
Negative Control
GPCR set
1 µM
Compound EUbOPEN ID
EUB0000336a
SMILES
CC1=C(C2=CC=C(C(N)=O)N=C2)SC(CC3=CC=CC(C(F)(F)F)=C3)=N1
InChIKey
LEEQPBKUBIMCLS-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Mode of action
Negative control for TP-024
Affinity Biochemical Source Knowledge
Compound image 
PPTN-NC
GPCR
P2RY14
Negative Control
GPCR set
100 nM
Compound EUbOPEN ID
EUB0000337aCl
SMILES
CC1=C(C(O)=O)C=C(C2=C1C=C(C3=CC=C(C(F)(F)F)C=C3)C=C2)C4=CC=C(C5CCNCC5)C=C4.Cl
InChIKey
FWPPUDHURRAJHH-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
KIAA0001
Mode of action
Negative control for PPTN
Affinity Biochemical Source Knowledge
Compound image 
UCSF924NC
GPCR
DRD4
Negative Control
GPCR set
1 µM
Compound EUbOPEN ID
EUB0000338a
SMILES
CC1=CC(C(C=C(N2)CNCCCC3=CC=NC=C3)=O)=C2C=C1
InChIKey
PALPPRFQCFXPCD-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Mode of action
Negative control for UCSF924
Affinity Biochemical Source Knowledge
Compound image 
A-1806262
GPCR
EDNRB
Negative Control
GPCR set
100 nM
Compound EUbOPEN ID
EUB0000339a
SMILES
CCCOC1=CC=C([C@@H]2[C@H]([C@H](C3=CC=C4C(OCO4)=C3)CN2CC(NC5=C(C=CC=C5CC)CC)=O)C(O)=O)C=C1
InChIKey
LQEHCKYYIXQEBM-WXALXNGTSA-N
NCBI gene ID
UniProt ID
Synonyms
ETB
Mode of action
Negative control for A-192621
Affinity Biochemical Source Knowledge
Compound image 
BAY-897
GPCR
LHCGR
Negative Control
GPCR set
1 µM
Compound EUbOPEN ID
EUB0000340a
SMILES
FC(C=C1)=CC=C1OC2=CC=C(C=C2)NC(N3CCC4=C(C=CC=N4)[C@H]3C5=CC=C(F)C=C5)=O
InChIKey
AEOSDPHCSPJLGL-AREMUKBSSA-N
NCBI gene ID
UniProt ID
Synonyms
LHR, LCGR, LGR2, ULG5
Mode of action
Negative control for BAY-899
Affinity Biochemical Source Knowledge
Compound image 
(S)-9s
GPCR
ADRA1D
Negative Control
GPCR set
1 µM
Compound EUbOPEN ID
EUB0000341aCl
SMILES
C[C@@H](C1=CC=CC(C#N)=C1)N2C=C(C=C(C2=N)C(N)=O)Cl.[H]Cl
InChIKey
XUCZRJDRBBJCTE-FVGYRXGTSA-N
NCBI gene ID
UniProt ID
Synonyms
ADRA1R, ADRA1A, ADRA1
Mode of action
Negative control for (R)-9s
Affinity Biochemical Source Knowledge
Compound image 
PF-04475866
GPCR
PTGER2
Negative Control
GPCR set
100 nM
Compound EUbOPEN ID
EUB0000342a
SMILES
FC(C=C1)=CC=C1C(N2CC(COC3=CC=C(Br)C=C3)(C(O)=O)C2)=O
InChIKey
KBYIQQODUSXDFL-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
EP2
Mode of action
Negative control for PF-04418948
Affinity Biochemical Source Knowledge
Compound image 
BI-9307
GPCR
CCR1
Negative Control
GPCR set
100 nM
Compound EUbOPEN ID
EUB0000343a
SMILES
CS(C1=CC([C@@H](NC(C2=CN=CC3=C2C=NN3C4=CC=C(F)C=C4)=O)CCNS(C)(=O)=O)=CC=N1)(=O)=O
InChIKey
WNEINSVFBXZUFH-FQEVSTJZSA-N
NCBI gene ID
UniProt ID
Synonyms
CKR-1, MIP1aR, CD191
Mode of action
Negative control for BI-639667
Affinity Biochemical Source Knowledge
Compound image 
MSD-M1PAM-NC
GPCR
CHRM1
Negative Control
GPCR set
1 µM
Compound EUbOPEN ID
EUB0000344a
SMILES
N#CC(CC1)(C2=CC=CC=N2)CCN1CC3=C4C=CC=CN4C(C(C(N5CCCC5)=O)=C3)=O
InChIKey
ASAKPTPDFNXOQN-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Mode of action
Negative control for MSD-M1PAM
Affinity Biochemical Source Knowledge
Compound image 
(S)-ZINC 3573
GPCR
MRGPRX2
Negative Control
GPCR set
1 µM
Compound EUbOPEN ID
EUB0000345a
SMILES
CN([C@H]1CCN(C2=CC(C3=CC=CC=C3)=NC4=CC=NN24)C1)C
InChIKey
XKBSPAZCFAIBJL-HNNXBMFYSA-N
NCBI gene ID
UniProt ID
Synonyms
MRGX2
Mode of action
Negative control for (R)-ZINC 3573
Affinity Biochemical Source Knowledge
Compound image 
ZINC32547799
GPCR
GPR68
Negative Control
GPCR set
1 µM
Compound EUbOPEN ID
EUB0000346a
SMILES
OCC1=CC=CC(C2=NC(N)=NC(NCC3=CC=CC=C3)=N2)=C1
InChIKey
RVKAHYFWSKSSQQ-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
OGR1
Mode of action
Negative control for Ogerin
Affinity Biochemical Source Knowledge
Compound image 
BAY-784
GPCR
GNRHR
IC50 = 27
IC50 = 21
GPCR set
1 µM
Compound EUbOPEN ID
EUB0000347a
SMILES
C1CC1[C@H]1C2(CCS(CC2)(=O)=O)c2cc(ccc2N1S(c1ccc(cc1)F)(=O)=O)C(NCc1c(cc(cn1)C(F)(F)F)[Cl])=O
InChIKey
PZGSYNNVPNLHQG-SANMLTNESA-N
NCBI gene ID
UniProt ID
Synonyms
LHRHR
Mode of action
Antagonist
Negative control
BAY-786
Affinity biochemical assay type
Tag Lite binding assay (human GnRH-R binding)
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
Mechanistic biochemical IP1 assay (CHO cells stably expressing human GnRH-R, snythetic agonist Buserelin at EC80)
Selectivity platform
GPCR panel (PDSP)
Selectivity platform number of targets
45
Selectivity remarks
Screened at 10 µM, closest target: Ki(TMEM97) = 1107.9 nM; Screened against 122 enzymes, receptors, transporters and ion channels (Leadprofiling screen, Ricerca) at 10 µM, closest targets: IC50(MAPK3) = 4.87 µM, IC50(MAPK14) = 10.7 µM, IC50(CNR1) = 3.44 µM; Screened against 468 kinases (KinomeScan DiscoverX) at 1 µM, closest targets as % contr.: CDK5 (0%), CLK4 (0%), MAP3K13(0%), PRKAA1(39%)
Selectivity Source Knowledge
Compound image 
ABT-546
GPCR
EDNRA
Ki = 0.46
IC50 = 0.59
GPCR set
100 nM
Compound EUbOPEN ID
EUB0000348aPTSA
SMILES
COC1=CC([C@@H]2[C@H]([C@@H](N(C2)CC(N(CCCC)CCCC)=O)CC(C)(CCC)C)C(O)=O)=CC3=C1OCO3.CC4=CC=C(S(=O)(O)=O)C=C4
InChIKey
AADJQCRYJYCVDO-KQQHTNMISA-N
NCBI gene ID
UniProt ID
Synonyms
ET-A, ETA-R, hET-AR
Mode of action
Antagonist
Negative control
A-545
Affinity biochemical assay type
[125I]-endothelin-1 saturation binding assay
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
Endothelin-1-evoked phosphatidylinositol hydrolysis in MMQ cells
Selectivity platform
CEREP panel (Eurofins)
Selectivity platform number of targets
75
Selectivity remarks
Screened at 10 µM against 75 receptors, ion channels and other enzymes, closest targets as % inhibition: EDNRB (56%), OPRD1 (62 %); in vitro follow up: Ki(EDNRB) = 13000 nM; Screened against 45 GPCR targets (PDSP screen) at 10 µM, closest target as % inhibition: HRH1(54%); In vitro follow up: Ki(HRH1) >10 µM; Screened against 468 kinases (KinomeScan DiscoverX) at 1 µM, closest targets: CDK5 (0%), CLK4 (0%), MAP3K13 (0%);
Selectivity Source Knowledge
Compound image 
KISS1-305
GPCR
KISS1R
Ki = 0.089
GPCR set
1 µM
Compound EUbOPEN ID
EUB0000349a
SMILES
CC(C[C@H](NC(NNC([C@@H](NC([C@@H](NC([C@@H](NC([C@H](NC([C@H](N)CC1=CC=C(O)C=C1)=O)CC2=CC=NC=C2)=O)CC(N)=O)=O)CO)=O)CC3=CC=CC=C3)=O)=O)C(N[C@H](C(N[C@H](C(N)=O)CC4=CC=CC=C4)=O)CCCNC(NC)=N)=O)C
InChIKey
YSVWFFNZZGLLAI-XNTOLAJGSA-N
NCBI gene ID
UniProt ID
Synonyms
HOT7T175, AXOR12
Mode of action
Agonist
Negative control
KISS1-543
Affinity biochemical assay type
Binding assay (used membrane fraction of human KISS1R-expressing cells)
Affinity Biochemical Source Knowledge
Selectivity platform
GPCR screen (PDSP)
Selectivity platform number of targets
45
Selectivity remarks
Screened at 1 µM, closest target: Ki(OPRD1) = 47.5 nM; Potency against NPFFR2 (GPR74) and NPFFR1 (GPR147) >30 fold;
Selectivity Source Knowledge
Compound image 
A-192621
GPCR
EDNRB
IC50 = 4.5
IC50 = 0.8
GPCR set
100 nM
Compound EUbOPEN ID
EUB0000350a
SMILES
CCCOC1=CC=C([C@H]2[C@@H]([C@@H](C3=CC(OCO4)=C4C=C3)CN2CC(NC5=C(C=CC=C5CC)CC)=O)C(O)=O)C=C1
InChIKey
LQEHCKYYIXQEBM-FUKIBTTHSA-N
NCBI gene ID
UniProt ID
Synonyms
ETB
Mode of action
Antagonist
Negative control
A-1806262
Affinity biochemical assay type
Inhibition of 125I labeled ET-3 binding
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
EDNRB-dependent phosphatidylinositol hydrolysis assay (CHO cells transfected with human EDNRBA)
Selectivity platform
CEREP panel (Eurofins)
Selectivity platform number of targets
71
Selectivity remarks
Screened at 10 µM (binding assay), closest targets as % inhibition: EDNRA (97.1%), BZD peripheral (72.1%), CCK (63.1%), Cl- channel (77.4%); In vitro follow up of closest target: IC50(EDNRA) = 4.28 µM (>600-fold selective, EDNRB- dependent phosphatidylinositol hydrolysis assay in MMQ cells); Screened against 468 kinases (KinomeScan DiscoverX) at 1 µM, closest targets: FLT3(ITD,F691L) (13%), NEK5(29%); Screened against 45 GPCR targets (PDSP screen) at 10 µM, closest target as % inhibition: HRH1 (36%); Screened in Eurofins-Cerep panel against 7 targets at 10 µM (enzymes and uptake assays): clean profile;
Selectivity Source Knowledge
Compound image 
PF-04418948
GPCR
PTGER2
IC50 = 5
Kd = 1.8
GPCR set
100 nM
Compound EUbOPEN ID
EUB0000351a
SMILES
COC1=CC2=C(C=C(OCC3(C(O)=O)CN(C(C4=CC=C(F)C=C4)=O)C3)C=C2)C=C1
InChIKey
LWJGMYMNSNVCEM-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
EP2
Mode of action
Antagonist
Negative control
PF-04475866
Affinity biochemical assay type
Enzymatic inhibition assay
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
Functional reporter assay (prostaglandin E2 (PGE2)-induced increase in cAMP in CHO cells expressing EP2 receptors)
Selectivity platform
GPCR screen (PDSP)
Selectivity platform number of targets
45
Selectivity remarks
Screened at 10 µM, no target >50% of inhibition; F-04418948 displayed >2000-fold functional selectivity for the human EP2 receptor over antagonist activity against the human EP1, EP3, EP4, DP1 and CRTH2 receptors; Selectivity over human IP, FP, TP and LTB4 receptors; Screened against 468 kinases (KinomeScan DiscoverX) at 1 µM, closest targets as % of contr.: PRKAA2 (28%), TAOK3 (35%), PIK3CA (42%); Screened in CEREP ligand profiling (at 10 µM, against 125 targets), closest targets: IC50(NQO2) = 0.53 µM, IC50(PDE3) = 3.5 µM, IC50(LTB4R) = 9.7 µM
Selectivity Source Knowledge
Compound image 
BI-639667
GPCR
CCR1
IC50 = 5.4
IC50 = 2.4
GPCR set
100 nM
Compound EUbOPEN ID
EUB0000352a
SMILES
CS(C1=CC(C2(NC(C3=CN=CC4=C3C=NN4C5=CC=C(F)C=C5)=O)CC2)=CC=N1)(=O)=O
InChIKey
PXQATVYJKMMHAU-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
CKR-1, MIP1aR, CD191
Mode of action
Antagonist
Negative control
BI-9307
Affinity biochemical assay type
Scintillation Proximity Assay (SPA)
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
Chemotaxis in THP-1 cells
Selectivity platform
GPCR panel (PDSP)
Selectivity platform number of targets
45
Selectivity remarks
Screened at 10 µM, closest target: Ki(ADRB1) = 1.88 µM; Screened in CEREP panel of CCRs at 10 µM: >1000-fold selective over other CCRs (CCR10, CCR9, CCR6, CCR4, all >90% of control); Screened against 69 receptors (Eurofins-Panlabs screen) at 10 µM, closest target as % inhibition: DATRANS (71%); Screened against 468 kinases (KinomeScan DiscoverX) at 1 µM, closest targets as % of contr.: NRD2 (34%), LRRK2 (43%)
Selectivity Source Knowledge
Compound image 
(R)-ZINC 3573
GPCR
MRGPRX2
EC50 = 740
GPCR set
1 µM
Compound EUbOPEN ID
EUB0000353a
SMILES
CN(C)[C@@H]1CCN(C1)c1cc(c2ccccc2)nc2ccnn12
InChIKey
XKBSPAZCFAIBJL-OAHLLOKOSA-N
NCBI gene ID
UniProt ID
Synonyms
MRGX2
Mode of action
Agonist
Negative control
(S)-ZINC 3573
Affinity on-target cellular assay type
PRESTO-Tango concentration response assay (by the NIMH-PDSP)
Selectivity platform
PRESTO-Tango GPCRome screening
Selectivity platform number of targets
315
Selectivity remarks
Closest targets: Ki(DRD2) = 369.37 nM, Ki(TMEM97) = 489.44 nM, Ki(HTR6) = 748.23 nM; Screened against 45 GPCR targets (PDSD screen) at 10 µM, closest targets: Ki(D2) = 369.37 nM, Ki(5-HT6)= 748.23 nM, Ki(Sigma2) = 489.44 nM, Ki(DAT) = 1109 nM; Screened against 468 kinases (KINOMEscan DiscoverX) at 10 µM, closest targets: Kd(BTK) = 27 µM, Kd(MAPK8) = 19 µM, Kd(MAPK10) >30 µM, PMID: 28288109;
Selectivity Source Knowledge
Compound image 
Ogerin
GPCR
GPR68
EC50 = 148
GPCR set
1 µM
Compound EUbOPEN ID
EUB0000354a
SMILES
OCC1=CC=CC=C1C2=NC(N)=NC(NCC3=CC=CC=C3)=N2
InChIKey
MDGIEDNDSFMSLP-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
OGR1
Mode of action
Allosteric modulator
Negative control
ZINC32547799
Affinity on-target cellular assay type
FLIPR-TETRA assay
Selectivity platform
GPCR screen (PDSP)
Selectivity platform number of targets
45
Selectivity remarks
Highly selective in GPCR screen at 10 µM, clostest target: Ki(5-HT1A) = 849.9 nM
Selectivity Source Knowledge
Compound image 
DL-AP4
GPCR
GRM8
IC50 = 5.13
Compound EUbOPEN ID
EUB0000356a
SMILES
NC(CCP(O)(O)=O)C(O)=O
InChIKey
DDOQBQRIEWHWBT-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
GLUR8, GPRC1H, mGlu8, MGLUR8
Mode of action
Agonist
Affinity biochemical assay type
Inhibitory concentration against [3H]1 binding to recombinant human Metabotropic glutamate receptor 8
Affinity Biochemical Source Knowledge
Compound image 
rel-RITODRINE
GPCR
ADRB2
Kd = 0.5
Compound EUbOPEN ID
EUB0000357aCl
SMILES
[H]Cl.C[C@H]([C@H](C1=CC=C(C=C1)O)O)NCCC2=CC=C(C=C2)O
InChIKey
IDLSITKDRVDKRV-JSUROZADSA-N
NCBI gene ID
UniProt ID
Synonyms
ADRBR, BAR, B2AR
Mode of action
Agonist
Affinity biochemical assay type
Binding affinity to beta-2 adrenergic receptor (unknown origin) at 1 to 10000 nM
Affinity Biochemical Source Knowledge
Compound image 
A-77636
GPCR
DRD1
EC50 = 7.94
Compound EUbOPEN ID
EUB0000359aCl
SMILES
[H]Cl.NC[C@@H]1O[C@H](C23CC4CC(C3)CC(C2)C4)CC5=C1C=CC(O)=C5O
InChIKey
BWHPNJVKFAPVOG-QYFJGNGUSA-N
NCBI gene ID
UniProt ID
Mode of action
Agonist
Affinity biochemical assay type
Adenylate cyclase assay carried out in LTK cells transfected with human Dopamine receptor D1
Affinity Biochemical Source Knowledge
Compound image 
CP-96345
GPCR
TACR1
Ki = 1.48
Kd = 0.79
Compound EUbOPEN ID
EUB0000363a
SMILES
COC1=CC=CC=C1CN[C@H]1C2CCN(CC2)[C@H]1C(C1=CC=CC=C1)C1=CC=CC=C1
InChIKey
FLNYLINBEZROPL-NSOVKSMOSA-N
NCBI gene ID
UniProt ID
Synonyms
SPR, NK1R, NKIR
Mode of action
Antagonist
Affinity biochemical assay type
Binding affinity towards Tachykinin receptor 1 expressed in CHO cells using [3H][Pro9]-SP as radioligand
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
Antagonist activity against Tachykinin receptor 1 in dog isolated carotid artery
Compound image 
BRL-52537
GPCR
OPRK1
IC50 = 10.96
Compound EUbOPEN ID
EUB0000365aCl
SMILES
[H]Cl.O=C(CC1=CC(Cl)=C(Cl)C=C1)N2CCCC[C@H]2CN3CCCC3
InChIKey
NGVLSOWJSUUYDE-RSAXXLAASA-N
NCBI gene ID
UniProt ID
Synonyms
KOR, OPRK
Mode of action
Agonist
Affinity on-target cellular assay type
Kappa-opioid receptor agonist potency in vitro using rabbit vas deferens(LVD) preparation
Compound image 
FANANSERIN
GPCR
HTR2A
Ki = 0.12
Compound EUbOPEN ID
EUB0000366a
SMILES
FC1=CC=C(C=C1)N1CCN(CCCN2C3=C4C(=CC=CC4=CC=C3)S2(=O)=O)CC1
InChIKey
VGIGHGMPMUCLIQ-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
5-HT2A
Mode of action
Antagonist
Affinity biochemical assay type
Binding affinity for displacement of [3H]ketanserin to human 5-hydroxytryptamine 2A receptor stably expressed in CHO cells
Affinity Biochemical Source Knowledge
Compound image 
FANANSERIN
GPCR
HTR2C
Ki = 1
Compound EUbOPEN ID
EUB0000366a
SMILES
FC1=CC=C(C=C1)N1CCN(CCCN2C3=C4C(=CC=CC4=CC=C3)S2(=O)=O)CC1
InChIKey
VGIGHGMPMUCLIQ-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
5-HT2C, 5HTR2C
Affinity biochemical assay type
Binding affinity for displacement of [3H]mesulergine to human 5-hydroxytryptamine 2C receptor stably expressed in CHO cells
Affinity Biochemical Source Knowledge
Compound image 
FANANSERIN
GPCR
DRD4
Ki = 2.88
Compound EUbOPEN ID
EUB0000366a
SMILES
FC1=CC=C(C=C1)N1CCN(CCCN2C3=C4C(=CC=CC4=CC=C3)S2(=O)=O)CC1
InChIKey
VGIGHGMPMUCLIQ-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Affinity biochemical assay type
Displacement of [3H]spiperone from cloned human dopamine D4.2 receptor in HEK298 cells
Affinity Biochemical Source Knowledge
Compound image 
DEVAZEPIDE
GPCR
CCKAR
Ki = 0.2
Compound EUbOPEN ID
EUB0000367a
SMILES
CN1C2=C(C=CC=C2)C(=N[C@H](NC(=O)C2=CC3=CC=CC=C3N2)C1=O)C1=CC=CC=C1
InChIKey
NFHRQQKPEBFUJK-HSZRJFAPSA-N
NCBI gene ID
UniProt ID
Mode of action
Antagonist
Affinity biochemical assay type
Displacement of [3H]L-364718 from human recombinant CCK1 receptor expressed in PC3 cell line
Affinity Biochemical Source Knowledge
Compound image 
LY223982
GPCR
LTB4R
IC50 = 7.76
IC50 = 113.5
Compound EUbOPEN ID
EUB0000370a
SMILES
COC1=CC=C(\C=C\CCCCOC2=C(CCC(O)=O)C=C(C=C2)C(=O)C2=CC(=CC=C2)C(O)=O)C=C1
InChIKey
SYZSSLLFRVDRHL-QPJJXVBHSA-N
NCBI gene ID
UniProt ID
Synonyms
BLTR, P2Y7, LTB4R1
Mode of action
Antagonist
Affinity biochemical assay type
Inhibition of [3H]LTB4 binding to Leukotriene B4 receptor in the guinea pig spleen membranes
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
Inhibition of LTB4-induced elastase release in human polymorphonuclear leukocytes
Compound image 
NORBINALTORPHIMINE
GPCR
OPRK1
Ki = 0.35
Ki = 3.01
Compound EUbOPEN ID
EUB0000372aCl
SMILES
[H]Cl.OC1=C2O[C@H]3C4=C(C5=C([C@@H]6OC7=C(C=CC8=C7[C@@]69CCN([C@@H]([C@@]9(C5)O)C8)CC%10CC%10)O)N4)C[C@]%11([C@H]%12CC(C=C1)=C2[C@@]3%11CCN%12CC%13CC%13)O
InChIKey
SQNOQAMOMUBPHK-FFZCCNEYSA-N
NCBI gene ID
UniProt ID
Synonyms
KOR, OPRK
Mode of action
Antagonist
Affinity biochemical assay type
Binding affinity using [3H]diprenorphine as the radioligand against E297A mutant Opioid receptor kappa 1 in COS-7 cells
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
Compound was evaluated for its binding affinity by displacing [3H]U-69593 to human cloned Kappa opioid receptor transfected into CHO cells using [35S]GTP-gamma-S, assay
Compound image 
NORBINALTORPHIMINE
GPCR
OPRD1
Ki = 11.09
Compound EUbOPEN ID
EUB0000372aCl
SMILES
[H]Cl.OC1=C2O[C@H]3C4=C(C5=C([C@@H]6OC7=C(C=CC8=C7[C@@]69CCN([C@@H]([C@@]9(C5)O)C8)CC%10CC%10)O)N4)C[C@]%11([C@H]%12CC(C=C1)=C2[C@@]3%11CCN%12CC%13CC%13)O
InChIKey
SQNOQAMOMUBPHK-FFZCCNEYSA-N
NCBI gene ID
UniProt ID
Affinity on-target cellular assay type
Compound was evaluated for functional opioid activity by stimulation of [35S]GTP-gamma-S, in cloned human Opioid receptor delta 1 transfected into CHO cells
Compound image 
L-365260
GPCR
CCKBR
Ki = 3.98
Compound EUbOPEN ID
EUB0000383a
SMILES
CN1C2=C(C=CC=C2)C(=N[C@@H](NC(=O)NC2=CC(C)=CC=C2)C1=O)C1=CC=CC=C1
InChIKey
KDFQABSFVYLGPM-QFIPXVFZSA-N
NCBI gene ID
UniProt ID
Mode of action
Antagonist
Affinity biochemical assay type
Inhibition by displacing [3H]CCK-8S against Cholecystokinin type B receptor of guinea pig
Affinity Biochemical Source Knowledge
Compound image 
REMINERTANT
GPCR
NTSR1
Kd = 20.89
Compound EUbOPEN ID
EUB0000385a
SMILES
COC1=CC=CC(OC)=C1C1=CC(=NN1C1=C2C=CC(Cl)=CC2=NC=C1)C(=O)NC1(C2CC3CC(C2)CC1C3)C(O)=O
InChIKey
DYLJVOXRWLXDIG-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
NTR
Mode of action
Antagonist
Affinity biochemical assay type
Displacement of [3H]SR48692 from wild type human NTR1 expressed in HEK293 cells
Affinity Biochemical Source Knowledge
Compound image 
REMINERTANT
GPCR
NTSR2
Ki = 416.87
Compound EUbOPEN ID
EUB0000385a
SMILES
COC1=CC=CC(OC)=C1C1=CC(=NN1C1=C2C=CC(Cl)=CC2=NC=C1)C(=O)NC1(C2CC3CC(C2)CC1C3)C(O)=O
InChIKey
DYLJVOXRWLXDIG-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
NTR2
Affinity biochemical assay type
Binding affinity to NTR2 (unknown origin)
Affinity Biochemical Source Knowledge
Compound image 
DEXCHLORPHENIRAMINE
GPCR
HRH1
IC50 = 2.14
Compound EUbOPEN ID
EUB0000386aBDA
SMILES
OC(/C=C\C(O)=O)=O.CN(CC[C@H](C1=NC=CC=C1)C2=CC=C(C=C2)Cl)C
InChIKey
DBAKFASWICGISY-DASCVMRKSA-N
NCBI gene ID
UniProt ID
Mode of action
Antagonist
Affinity biochemical assay type
DRUGMATRIX: Histamine H1, Central radioligand binding (ligand: [3H] Pyrilamine)
Compound image 
PHENYLEPHRINE
GPCR
ADRA1B
EC50 = 2.24
Compound EUbOPEN ID
EUB0000387a
SMILES
CNC[C@H](O)C1=CC(O)=CC=C1
InChIKey
SONNWYBIRXJNDC-VIFPVBQESA-N
NCBI gene ID
UniProt ID
Mode of action
Agonist
Affinity biochemical assay type
Agonist activity at alpha-1B adrenergic receptor (unknown origin) after 5 hrs by CCF4-AM staining-based cellular assay
Affinity Biochemical Source Knowledge
Compound image 
PHENYLEPHRINE
GPCR
ADRA1A
EC50 = 56.23
Compound EUbOPEN ID
EUB0000387a
SMILES
CNC[C@H](O)C1=CC(O)=CC=C1
InChIKey
SONNWYBIRXJNDC-VIFPVBQESA-N
NCBI gene ID
UniProt ID
Synonyms
ADRA1L1
Affinity biochemical assay type
Intrinsic activity at alpha1A adrenergic receptor (unknown origin) after 5 hrs in presence of CCF4-AM by cell based beta lactamase reporter gene assay
Affinity Biochemical Source Knowledge
Compound image 
CP-122721
GPCR
TACR1
IC50 = 0.14
IC50 = 0.19
Compound EUbOPEN ID
EUB0000393aCl
SMILES
[H]Cl.[H]Cl.COC1=C(C=C(C=C1)OC(F)(F)F)CN[C@H]2CCCN[C@H]2C3=CC=CC=C3
InChIKey
AVTRGAPFNJEOTQ-FFUVTKDNSA-N
NCBI gene ID
UniProt ID
Synonyms
SPR, NK1R, NKIR
Mode of action
Antagonist
Affinity biochemical assay type
Displacement of [125I]-labeled substance P from cloned human NK1 receptor expressed in CHO cells
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
Antagonist activity for Tachykinin receptor 1 as displacement of [3H]-Substance P in human IM-9 cells
Compound image 
L-741,626
GPCR
DRD2
Ki = 8.71
EC50 = 4.46
Compound EUbOPEN ID
EUB0000394a
SMILES
OC1(CCN(CC2=CNC3=CC=CC=C23)CC1)C1=CC=C(Cl)C=C1
InChIKey
LLBLNMUONVVVPG-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Mode of action
Antagonist
Affinity biochemical assay type
Displacement of [3H]N-methylspiperone from human dopamine D2 receptor by liquid scintillation counting
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
Antagonist activity at human dopamine D2 receptor expressed in CHO cells assessed as inhibition of quinpirole stimulated mitogenesis
Compound image 
L-741,626
GPCR
DRD3
Ki = 93.33
EC50 = 91.2
Compound EUbOPEN ID
EUB0000394a
SMILES
OC1(CCN(CC2=CNC3=CC=CC=C23)CC1)C1=CC=C(Cl)C=C1
InChIKey
LLBLNMUONVVVPG-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Affinity biochemical assay type
Displacement of [125I]iodosulpiride from human Dopamine receptor D3 expressed in CHO cells
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
Antagonist activity at human dopamine D3 receptor expressed in CHO cells assessed as inhibition of quinpirole stimulated mitogenesis
Compound image 
SR 142948
GPCR
NTSR1
Ki = 3.16
Compound EUbOPEN ID
EUB0000400a
SMILES
COC1=CC=CC(OC)=C1C1=CC(=NN1C1=C(C=C(C=C1)C(=O)N(C)CCCN(C)C)C(C)C)C(=O)NC1(C2CC3CC(C2)CC1C3)C(O)=O
InChIKey
LWULHXVBLMWCHO-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
NTR
Mode of action
Antagonist
Affinity biochemical assay type
Displacement of [3H]neurotensin from human NTS1 receptor expressed in CHO cells
Affinity Biochemical Source Knowledge
Compound image 
SR 142948
GPCR
NTSR2
Ki = 74.13
Compound EUbOPEN ID
EUB0000400a
SMILES
COC1=CC=CC(OC)=C1C1=CC(=NN1C1=C(C=C(C=C1)C(=O)N(C)CCCN(C)C)C(C)C)C(=O)NC1(C2CC3CC(C2)CC1C3)C(O)=O
InChIKey
LWULHXVBLMWCHO-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
NTR2
Affinity biochemical assay type
Displacement of [3H]NT(8 to 13) from human NTS2 receptor expressed in HEK293 cells
Affinity Biochemical Source Knowledge
Compound image 
DEXMEDETOMIDINE
GPCR
ADRA1D
Ki = 0.02
Compound EUbOPEN ID
EUB0000404aCl
SMILES
[H]Cl.C[C@H](C1=CN=CN1)C1=C(C)C(C)=CC=C1
InChIKey
VPNGEIHDPSLNMU-MERQFXBCSA-N
NCBI gene ID
UniProt ID
Synonyms
ADRA1R, ADRA1A, ADRA1
Mode of action
Agonist
Affinity biochemical assay type
In vitro binding affinity against alpha-2D adrenergic receptor of male Wistar rat
Affinity Biochemical Source Knowledge
Compound image 
DEXMEDETOMIDINE
GPCR
ADRA2A
EC50 = 1.51
Compound EUbOPEN ID
EUB0000404aCl
SMILES
[H]Cl.C[C@H](C1=CN=CN1)C1=C(C)C(C)=CC=C1
InChIKey
VPNGEIHDPSLNMU-MERQFXBCSA-N
NCBI gene ID
UniProt ID
Synonyms
ADRAR
Affinity on-target cellular assay type
Agonist activity at human recombinant alpha2A adrenergic receptor expressed in CHO cells assessed as induction of [35S]GTPgammaS binding after 60 mins by scintillation counting
Compound image 
DINOPROST
GPCR
PTGER1
EC50 = 602.55
Compound EUbOPEN ID
EUB0000405a
SMILES
CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O
InChIKey
PXGPLTODNUVGFL-YNNPMVKQSA-N
NCBI gene ID
UniProt ID
Synonyms
EP1
Affinity on-target cellular assay type
Functional activity in RAT-1cells, transiently-transfected with human Prostaglandin E receptor EP1 (% of control ligand, 17-phi-PGE2=80%)
Compound image 
DINOPROST
GPCR
PTGFR
IC50 = 7.08
EC50 = 44.15
Compound EUbOPEN ID
EUB0000405a
SMILES
CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O
InChIKey
PXGPLTODNUVGFL-YNNPMVKQSA-N
NCBI gene ID
UniProt ID
Synonyms
FP
Mode of action
Agonist
Affinity biochemical assay type
Affinity for human Prostanoid FP receptor expressed in COS-7 cells
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
Functional activity in RAT-1cells, transiently-transfected with human FP-receptor (% of control ligand, fluprostenol=75%)
Compound image 
DINOPROST
GPCR
PTGER3
IC50 = 188.36
Compound EUbOPEN ID
EUB0000405a
SMILES
CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O
InChIKey
PXGPLTODNUVGFL-YNNPMVKQSA-N
NCBI gene ID
UniProt ID
Synonyms
EP3, lnc003875
Affinity biochemical assay type
Affinity for Prostanoid EP3 receptor expressed in CHO cell line
Affinity Biochemical Source Knowledge
Compound image 
IMIPRAMINE
GPCR
HRH1
IC50 = 26.92
Compound EUbOPEN ID
EUB0000406aCl
SMILES
[H]Cl.CN(C)CCCN1C2=C(CCC3=C1C=CC=C3)C=CC=C2
InChIKey
XZZXIYZZBJDEEP-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Mode of action
Antagonist
Affinity biochemical assay type
Binding affinity to histamine H1 receptor (unknown origin) by radioligand binding assay
Affinity Biochemical Source Knowledge
Compound image 
IMIPRAMINE
GPCR
HTR2A
Ki = 158.49
Compound EUbOPEN ID
EUB0000406aCl
SMILES
[H]Cl.CN(C)CCCN1C2=C(CCC3=C1C=CC=C3)C=CC=C2
InChIKey
XZZXIYZZBJDEEP-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
5-HT2A
Affinity biochemical assay type
Displacement of [3H]ketanserin from 5-hydroxytryptamine 2A receptor expressed NIH3T3 cells
Affinity Biochemical Source Knowledge
Compound image 
IMIPRAMINE
GPCR
HTR2C
Ki = 158.49
Compound EUbOPEN ID
EUB0000406aCl
SMILES
[H]Cl.CN(C)CCCN1C2=C(CCC3=C1C=CC=C3)C=CC=C2
InChIKey
XZZXIYZZBJDEEP-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
5-HT2C, 5HTR2C
Affinity biochemical assay type
Binding affinity towards 5-hydroxytryptamine 2C receptor using [3H]mesulergine as radioligand
Affinity Biochemical Source Knowledge
Compound image 
IMIPRAMINE
GPCR
DRD2
Ki = 543.25
Compound EUbOPEN ID
EUB0000406aCl
SMILES
[H]Cl.CN(C)CCCN1C2=C(CCC3=C1C=CC=C3)C=CC=C2
InChIKey
XZZXIYZZBJDEEP-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Affinity biochemical assay type
Binding affinity towards dopamine receptor D2 using [3H]spiperone as radioligand
Affinity Biochemical Source Knowledge
Compound image 
Zafirlukast
GPCR
CYSLTR1
IC50 = 1.82
Compound EUbOPEN ID
EUB0000407a
SMILES
COC1=C(CC2=CN(C)C3=C2C=C(NC(=O)OC2CCCC2)C=C3)C=CC(=C1)C(=O)NS(=O)(=O)C1=CC=CC=C1C
InChIKey
YEEZWCHGZNKEEK-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
CysLT1, CysLT(1), CYSLT1R
Mode of action
Antagonist
Affinity biochemical assay type
Antagonist activity at human CysLT1
Affinity Biochemical Source Knowledge
Compound image 
TECALCET
GPCR
CASR
EC50 = 79.43
Compound EUbOPEN ID
EUB0000408aCl
SMILES
[H]Cl.COC1=CC(=CC=C1)[C@@H](C)NCCCC1=CC=CC=C1Cl
InChIKey
YJXUXANREVNZLH-PFEQFJNWSA-N
NCBI gene ID
UniProt ID
Synonyms
FHH, NSHPT, GPRC2A
Mode of action
Positive allosteric modulator
Affinity biochemical assay type
Activity at human CaSR expressed in HEK293 cells assessed as calcium release by FLIPR assay
Affinity Biochemical Source Knowledge
Compound image 
Oxymetazoline
GPCR
HTR1B
Ki = 0.3
Compound EUbOPEN ID
EUB0000410aCl
SMILES
[H]Cl.CC1=CC(=C(O)C(C)=C1CC1=NCCN1)C(C)(C)C
InChIKey
BEEDODBODQVSIM-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
S12, 5-HT1B, HTR1D2, 5-HT1DB
Mode of action
Agonist
Affinity biochemical assay type
Binding affinity towards human 5-hydroxytryptamine 1B receptor using [3H]5-HT trifluoroacetate as radioligand
Affinity Biochemical Source Knowledge
Compound image 
Oxymetazoline
GPCR
HTR1D
Ki = 0.4
Compound EUbOPEN ID
EUB0000410aCl
SMILES
[H]Cl.CC1=CC(=C(O)C(C)=C1CC1=NCCN1)C(C)(C)C
InChIKey
BEEDODBODQVSIM-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
RDC4, HT1DA, 5-HT1D
Affinity biochemical assay type
Binding affinity towards human 5-hydroxytryptamine 1D receptor using [3H]5-HT trifluoroacetate as radioligand
Affinity Biochemical Source Knowledge
Compound image 
Oxymetazoline
GPCR
ADRA2A
Ki = 8.71
EC50 = 3.31
Compound EUbOPEN ID
EUB0000410aCl
SMILES
[H]Cl.CC1=CC(=C(O)C(C)=C1CC1=NCCN1)C(C)(C)C
InChIKey
BEEDODBODQVSIM-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
ADRAR
Affinity biochemical assay type
Affinity to human Alpha-2A adrenergic receptor determined by radioligand binding techniques from chinese hamster ovary (CHO) cells
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
Agonist potency at Alpha-2A stably expressed in CHO cells.
Compound image 
Oxymetazoline
GPCR
HTR1A
EC50 = 69.18
Compound EUbOPEN ID
EUB0000410aCl
SMILES
[H]Cl.CC1=CC(=C(O)C(C)=C1CC1=NCCN1)C(C)(C)C
InChIKey
BEEDODBODQVSIM-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
5-hydroxytryptamine receptor 1A
Affinity on-target cellular assay type
PUBCHEM_BIOASSAY: Dose Response assay for agonists of 5-Hydroxytryptamine (Serotonin) Receptor Subtype 1A (5HT1A). (Class of assay: confirmatory) [Related pubchem assays: 567, 574 ]
Compound image 
Oxymetazoline
GPCR
ADRA1A
EC50 = 83.17
Compound EUbOPEN ID
EUB0000410aCl
SMILES
[H]Cl.CC1=CC(=C(O)C(C)=C1CC1=NCCN1)C(C)(C)C
InChIKey
BEEDODBODQVSIM-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
ADRA1L1
Affinity on-target cellular assay type
In vitro activation of human alpha-1A receptor expressed in rat-1 fibroblasts via calcium mobilization through the Gq coupled PLC pathway as functional assay
Compound image 
TOLVAPTAN
GPCR
AVPR2
Ki = 0.43
Compound EUbOPEN ID
EUB0000413a
SMILES
CC1=C(C=CC=C1)C(=O)NC1=CC(C)=C(C=C1)C(=O)N1CCCC(O)C2=C1C=CC(Cl)=C2
InChIKey
GYHCTFXIZSNGJT-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
V2R
Mode of action
Antagonist
Affinity biochemical assay type
Concentration which inhibit [3H]AVP binding to human Vasopressin V2 receptor coded HeLa cells by 50%
Affinity Biochemical Source Knowledge
Compound image 
Telmisartan
GPCR
AGTR2
IC50 = 0.33
Compound EUbOPEN ID
EUB0000415a
SMILES
CCCC1=NC2=C(C)C=C(C=C2N1CC1=CC=C(C=C1)C1=CC=CC=C1C(O)=O)C1=NC2=CC=CC=C2N1C
InChIKey
RMMXLENWKUUMAY-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
AT2, MRX88
Mode of action
Antagonist
Affinity biochemical assay type
Displacement of [125I]Sar1 Ile8-Ang 2 from angiotensin 2 AT2 receptor after 180 mins by gamma counting
Affinity Biochemical Source Knowledge
Compound image 
Telmisartan
GPCR
AGTR1
IC50 = 2
Compound EUbOPEN ID
EUB0000415a
SMILES
CCCC1=NC2=C(C)C=C(C=C2N1CC1=CC=C(C=C1)C1=CC=CC=C1C(O)=O)C1=NC2=CC=CC=C2N1C
InChIKey
RMMXLENWKUUMAY-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
AT1, AT2R1, AGTR1A, AT2R1A, HAT1R, AG2S, AT2R1B, AT1B
Affinity biochemical assay type
Inhibition of AT1 receptor
Affinity Biochemical Source Knowledge
Compound image 
ZM-241385
GPCR
ADORA2A
Ki = 0.92
Ki = 1.39
Compound EUbOPEN ID
EUB0000417a
SMILES
NC1=NC(NCCC2=CC=C(O)C=C2)=NC2=NC(=NN12)C1=CC=CO1
InChIKey
PWTBZOIUWZOPFT-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
RDC8
Mode of action
Antagonist
Affinity biochemical assay type
Binding affinity towards human Adenosine A2a receptor expressed in HEK293 cells using 6 nM [3H]CGS-21680
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
Inhibition of human recombinant adenosine receptor A2a
Compound image 
PROPRANOLOL
GPCR
ADRB2
Kd = 0.76
Kd = 0.23
Compound EUbOPEN ID
EUB0000418aCl
SMILES
[H]Cl.CC(C)NCC(O)COC1=C2C=CC=CC2=CC=C1
InChIKey
ZMRUPTIKESYGQW-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
ADRBR, BAR, B2AR
Mode of action
Antagonist
Affinity biochemical assay type
Binding affinity to human adrenergic beta2 receptor
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
Antagonist activity at human beta-2 adrenergic receptor expressed in salbutamol-stimulated CHO-K1 cells assessed as CRE-SPAP level by fluorescence correlation spectroscopic analysis
Compound image 
PROPRANOLOL
GPCR
ADRB1
IC50 = 3.89
Compound EUbOPEN ID
EUB0000418aCl
SMILES
[H]Cl.CC(C)NCC(O)COC1=C2C=CC=CC2=CC=C1
InChIKey
ZMRUPTIKESYGQW-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Affinity biochemical assay type
Tested for Beta-1 adrenergic receptor selectivity in canine cardiac tissue in anesthetized dogs
Affinity Biochemical Source Knowledge
Compound image 
CGP-12177
GPCR
ADRB2
Kd = 1.95
Compound EUbOPEN ID
EUB0000420aCl
SMILES
[H]Cl.CC(C)(C)NCC(O)COC1=C2NC(=O)NC2=CC=C1
InChIKey
YQVFCYCTITZLSX-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
ADRBR, BAR, B2AR
Mode of action
Antagonist
Affinity biochemical assay type
Displacement of [3H]DHA from inactive/G protein-uncoupled human beta2-AR expressed in CHO cell membranes by liquid scintillation counting
Affinity Biochemical Source Knowledge
Compound image 
CGP-12177
GPCR
ADRB1
EC50 = 12.3
Compound EUbOPEN ID
EUB0000420aCl
SMILES
[H]Cl.CC(C)(C)NCC(O)COC1=C2NC(=O)NC2=CC=C1
InChIKey
YQVFCYCTITZLSX-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Affinity on-target cellular assay type
Partial agonist activity at human beta1 adrenoceptor expressed in CHOK1 cells assessed as induction of [3H]cAMP accumulation after 5 hrs
Compound image 
MONTELUKAST
GPCR
CYSLTR1
IC50 = 2.29
EC50 = 72.44
Compound EUbOPEN ID
EUB0000423aNa
SMILES
CC(C)(O)C(C=CC=C1)=C1CC[C@@H](SCC2(CC2)CC([O-])=O)C3=CC(/C=C/C4=NC5=CC(Cl)=CC=C5C=C4)=CC=C3.[Na+]
InChIKey
LBFBRXGCXUHRJY-HKHDRNBDSA-M
NCBI gene ID
UniProt ID
Synonyms
CysLT1, CysLT(1), CYSLT1R
Mode of action
Antagonist
Affinity biochemical assay type
Antagonist activity at human CysLT1
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
Antagonist activity at CysLT1 receptor in human dU937 cells assessed as inhibition of LTD4-induced increase of calcium level treated 30 mins before LTD4 challenge
Compound image 
IBUTAMOREN
GPCR
GHSR
IC50 = 0.57
EC50 = 1.31
Compound EUbOPEN ID
EUB0000425aMSA
SMILES
O=C(N1CCC2(C(C=CC=C3)=C3N(S(C)(=O)=O)C2)CC1)[C@H](NC(C(C)(N)C)=O)COCC4=CC=CC=C4.OS(=O)(C)=O
InChIKey
DUGMCDWNXXFHDE-VZYDHVRKSA-N
NCBI gene ID
UniProt ID
Mode of action
Agonist
Affinity biochemical assay type
Binding affinity for human growth hormone GH secretagogue (hGHsr) receptor
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
Functional potency measured as intracellular calcium elevation in Hek-293 cells expressing hGHSR1a
Compound image 
SB-269970
GPCR
HTR7
Ki = 1.55
IC50 = 0.91
Compound EUbOPEN ID
EUB0000426aCl
SMILES
[H]Cl.CC1CCN(CC[C@H]2CCCN2S(=O)(=O)C2=CC=CC(O)=C2)CC1
InChIKey
XQCJOYZLWFNDIO-PKLMIRHRSA-N
NCBI gene ID
UniProt ID
Synonyms
5-HT7
Mode of action
Antagonist
Affinity biochemical assay type
Binding affinity for human cloned 5-hydroxytryptamine 7 receptor in HEK 293 using [3H]5-CT as a radioligand
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
Antagonist activity at human 5-HT7 receptor expressed in HEK293 cells assessed as inhibition of Gs protein-mediated cAMP accumulation by luminescence-based assay
Compound image 
JTC-801
GPCR
OPRL1
Ki = 15.67
Compound EUbOPEN ID
EUB0000427aCl
SMILES
[H]Cl.CCC1=CC=C(OCC2=CC=CC=C2C(=O)NC2=CC3=C(N)C=C(C)N=C3C=C2)C=C1
InChIKey
NQLIYKXNAXKMBL-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
NOCIR, ORL1, OOR, KOR-3, NOPr
Mode of action
Antagonist
Affinity biochemical assay type
Binding affinity for opioid receptor like type, human Opioid receptor like 1 expressed in membrane homogenates of COS-1 or CHO cells
Affinity Biochemical Source Knowledge
Compound image 
JTC-801
GPCR
OPRM1
Ki = 102.33
Compound EUbOPEN ID
EUB0000427aCl
SMILES
[H]Cl.CCC1=CC=C(OCC2=CC=CC=C2C(=O)NC2=CC3=C(N)C=C(C)N=C3C=C2)C=C1
InChIKey
NQLIYKXNAXKMBL-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
MOR1
Affinity biochemical assay type
Inhibition of [3H]diprenorphine (0.33 nM) binding from human Opioid receptor mu 1 expressed in CHO-K1 cells.
Affinity Biochemical Source Knowledge
Compound image 
Fluoxetine
GPCR
ADRA2A
Ki = 6.31
Compound EUbOPEN ID
EUB0000428aCl
SMILES
[H]Cl.CNCCC(OC1=CC=C(C=C1)C(F)(F)F)C1=CC=CC=C1
InChIKey
GIYXAJPCNFJEHY-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
ADRAR
Affinity biochemical assay type
Binding affinity for human alpha-2 adrenergic receptor expressed in CHO cell
Affinity Biochemical Source Knowledge
Compound image 
Fluoxetine
GPCR
HTR2C
Ki = 93.33
Compound EUbOPEN ID
EUB0000428aCl
SMILES
[H]Cl.CNCCC(OC1=CC=C(C=C1)C(F)(F)F)C1=CC=CC=C1
InChIKey
GIYXAJPCNFJEHY-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
5-HT2C, 5HTR2C
Affinity biochemical assay type
Binding affinity to human 5HT2C receptor by radioligand displacement assay
Affinity Biochemical Source Knowledge
Compound image 
Fluoxetine
GPCR
HTR2A
IC50 = 194.98
Compound EUbOPEN ID
EUB0000428aCl
SMILES
[H]Cl.CNCCC(OC1=CC=C(C=C1)C(F)(F)F)C1=CC=CC=C1
InChIKey
GIYXAJPCNFJEHY-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
5-HT2A
Affinity biochemical assay type
Displacement of [3H]ketanserin from 5HT2A receptor (unknown origin) by cell based radioligand competitive binding analysis
Affinity Biochemical Source Knowledge
Compound image 
DCPG
GPCR
GRM8
EC50 = 30.9
Compound EUbOPEN ID
EUB0000429a
SMILES
N[C@H](C(O)=O)C1=CC=C(C(O)=O)C(=C1)C(O)=O
InChIKey
IJVMOGKBEVRBPP-ZETCQYMHSA-N
NCBI gene ID
UniProt ID
Synonyms
GLUR8, GPRC1H, mGlu8, MGLUR8
Mode of action
Agonist
Affinity biochemical assay type
Agonist activity at mGlu8 (unknown origin) expressed in HEK293 cells coexpressing chimeric Gq/i protein assessed as [3H]inositol phosphate accumulation after 30 mins by scintillation and luminescence counting method
Affinity Biochemical Source Knowledge
Compound image 
SB 332235
GPCR
CXCR2
IC50 = 25.12
Compound EUbOPEN ID
EUB0000435a
SMILES
NS(=O)(=O)C1=C(Cl)C=CC(NC(=O)NC2=C(Cl)C(Cl)=CC=C2)=C1O
InChIKey
WTLRWOHEKQGKDS-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
CMKAR2, CD182
Mode of action
Antagonist
Affinity biochemical assay type
Antagonist activity at human recombinant Gal4-VP16 fused-CXCR2 assessed as inhibition of CXCL1-mediated lactamase reporter gene expression after overnight incubation
Affinity Biochemical Source Knowledge
Compound image 
CINACALCET
GPCR
CASR
EC50 = 39.81
EC50 = 177.83
Compound EUbOPEN ID
EUB0000437aCl
SMILES
[H]Cl.C[C@@H](NCCCC1=CC=CC(=C1)C(F)(F)F)C1=CC=CC2=CC=CC=C12
InChIKey
QANQWUQOEJZMLL-PKLMIRHRSA-N
NCBI gene ID
UniProt ID
Synonyms
FHH, NSHPT, GPRC2A
Mode of action
Positive allosteric modulator
Affinity biochemical assay type
Positive allosteric modulation of calcium sensing receptor by cell based assay
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
Agonist activity at human CaSR expressed in CHO cells assessed as increase in intracellular calcium mobilization after 1 hr by Fura-2 dye-based fluorescence assay
Compound image 
SB-408124
GPCR
HCRTR1
Kd = 23.44
Compound EUbOPEN ID
EUB0000439a
SMILES
CN(C)C1=CC=C(NC(=O)NC2=C3C=C(F)C=C(F)C3=NC(C)=C2)C=C1
InChIKey
JTARFZSNUAGHRB-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
OX1R
Mode of action
Antagonist
Affinity biochemical assay type
Binding affinity to OX1 receptor
Affinity Biochemical Source Knowledge
Compound image 
SB-408124
GPCR
HTR2B
Ki = 316.23
Compound EUbOPEN ID
EUB0000439a
SMILES
CN(C)C1=CC=C(NC(=O)NC2=C3C=C(F)C=C(F)C3=NC(C)=C2)C=C1
InChIKey
JTARFZSNUAGHRB-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
5-HT(2B), 5-HT2B
Affinity biochemical assay type
Binding affinity to 5HT2B receptor (unknown origin)
Affinity Biochemical Source Knowledge
Compound image 
SEW 2871
GPCR
S1PR1
IC50 = 21.88
Compound EUbOPEN ID
EUB0000441a
SMILES
FC(F)(F)C1=C(C=C(S1)C1=NC(=NO1)C1=CC(=CC=C1)C(F)(F)F)C1=CC=CC=C1
InChIKey
OYMNPJXKQVTQTR-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
edg-1, D1S3362, CD363
Mode of action
Agonist
Affinity biochemical assay type
Displacement of [33P]S1P from human S1P1R expressed in CHO cell membranes
Affinity Biochemical Source Knowledge
Compound image 
LOPERAMIDE
GPCR
OPRM1
IC50 = 0.92
Compound EUbOPEN ID
EUB0000447aCl
SMILES
[H]Cl.CN(C)C(=O)C(CCN1CCC(O)(CC1)C1=CC=C(Cl)C=C1)(C1=CC=CC=C1)C1=CC=CC=C1
InChIKey
PGYPOBZJRVSMDS-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
MOR1
Mode of action
Agonist
Affinity biochemical assay type
Binding affinity against mu-opiate receptor (human) using [3H]DAMGO radioligand
Affinity Biochemical Source Knowledge
Compound image 
LOPERAMIDE
GPCR
OPRD1
EC50 = 154.88
Compound EUbOPEN ID
EUB0000447aCl
SMILES
[H]Cl.CN(C)C(=O)C(CCN1CCC(O)(CC1)C1=CC=C(Cl)C=C1)(C1=CC=CC=C1)C1=CC=CC=C1
InChIKey
PGYPOBZJRVSMDS-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Affinity on-target cellular assay type
Inhibition of delta opioid receptor mediated GTPgammaS binding to CHO cell membranes
Compound image 
ESTRADIOL
GPCR
GPER1
Ki = 3.94
EC50 = 0.3
Compound EUbOPEN ID
EUB0000449a
SMILES
C[C@]12CC[C@H]3[C@@H](CCC4=C3C=CC(O)=C4)[C@@H]1CC[C@@H]2O
InChIKey
VOXZDWNPVJITMN-ZBRFXRBCSA-N
NCBI gene ID
UniProt ID
Synonyms
FEG-1, GPCR-Br, LERGU, LERGU2, DRY12, LyGPR, CEPR
Mode of action
Agonist
Affinity biochemical assay type
Inhibition of estrogen binding to GPR30 (unknown origin)
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
Agonist activity at GPR30 (unknown origin) by calcium mobilization assay
Compound image 
FENOBAM
GPCR
GRM5
IC50 = 36.31
IC50 = 42.66
Compound EUbOPEN ID
EUB0000453a
SMILES
CN1CC(=O)N=C1NC(=O)NC1=CC(Cl)=CC=C1
InChIKey
DWPQODZAOSWNHB-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
MGLUR5, GPRC1E, mGlu5, PPP1R86
Affinity biochemical assay type
Displacement of [3H]MPEP from mGlu5 receptor
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
Inhibition of glutamate-induced calcium influx in human mGluR5d by FLIPR
Compound image 
FENOBAM
GPCR
GRM1
Ki = 6.76
Compound EUbOPEN ID
EUB0000453a
SMILES
CN1CC(=O)N=C1NC(=O)NC1=CC(Cl)=CC=C1
InChIKey
DWPQODZAOSWNHB-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
GPRC1A, mGlu1, MGLUR1, PPP1R85
Mode of action
Negative allosteric modulator
Affinity on-target cellular assay type
Antagonist activity at human mGLUR1
Compound image 
BINA
GPCR
GRM2
Kd = 93.33
EC50 = 27.54
Compound EUbOPEN ID
EUB0000454a
SMILES
CC1=C(C)C(OCC2=CC(=CC=C2)C2=CC=C(C=C2)C(O)=O)=CC2=C1C(=O)C(C2)C1CCCC1
InChIKey
KMKBEESNZAPKMP-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
GPRC1B, mGlu2, MGLUR2
Mode of action
Positive allosteric modulator
Affinity biochemical assay type
Binding affinity to human metabotropic glutamate receptor 2 expressed in CHOK1 cell membranes by scintillation proximity assay
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
Allosteric modulation of human mGluR2 expressed in CHO cells by [35S]GTPgammaS binding assay
Compound image 
LAROPIPRANT
GPCR
PTGDR
Ki = 0.58
IC50 = 0.6
Compound EUbOPEN ID
EUB0000459a
SMILES
CS(=O)(=O)C1=C2N(CC3=CC=C(Cl)C=C3)C3=C(CC[C@@H]3CC(O)=O)C2=CC(F)=C1
InChIKey
NXFFJDQHYLNEJK-CYBMUJFWSA-N
NCBI gene ID
UniProt ID
Synonyms
DP, DP1, PTGDR1
Mode of action
Antagonist
Affinity biochemical assay type
Binding affinity to human DP receptor expressed in HEK293 cells
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
Activity at human DP receptor in washed platelets assessed as inhibition of PGD2-induced cAMP accumulation
Compound image 
LAROPIPRANT
GPCR
TBXA2R
Ki = 5.69
Compound EUbOPEN ID
EUB0000459a
SMILES
CS(=O)(=O)C1=C2N(CC3=CC=C(Cl)C=C3)C3=C(CC[C@@H]3CC(O)=O)C2=CC(F)=C1
InChIKey
NXFFJDQHYLNEJK-CYBMUJFWSA-N
NCBI gene ID
UniProt ID
Affinity biochemical assay type
Binding affinity to human TP receptor expressed in HEK293 cells
Affinity Biochemical Source Knowledge
Compound image 
BAY 60-6583
GPCR
ADORA2B
EC50 = 30.9
Compound EUbOPEN ID
EUB0000460a
SMILES
NC(=O)CSC1=C(C#N)C(C2=CC=C(OCC3CC3)C=C2)=C(C#N)C(N)=N1
InChIKey
ZTYHZMAZUWOXNC-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Mode of action
Agonist
Affinity on-target cellular assay type
Agonist activity at human adenosine A2B receptor expressed in CHO cell membranes assessed as induction of cAMP accumulation by AlphaScreen assay
Compound image 
LPA2 Antagonist 1
GPCR
LPAR2
IC50 = 16.98
Compound EUbOPEN ID
EUB0000464a
SMILES
C[C@@H](CN1CCN(CC1)S(=O)(=O)C1=CC=C(Cl)C(Cl)=C1)NC1=C2SC=C(C)C2=NC=N1
InChIKey
BPRNMVDTWIHULJ-AWEZNQCLSA-N
NCBI gene ID
UniProt ID
Synonyms
EDG-4, LPA2
Mode of action
Antagonist
Affinity on-target cellular assay type
Antagonist activity at LPA2 expressed in RH7777 cells with Gi4-protein and aequorin by calcium mobilization assay
Compound image 
AC 264613
GPCR
F2RL1
EC50 = 30.2
EC50 = 30.9
Compound EUbOPEN ID
EUB0000469a
SMILES
C\C(=N/NC(=O)[C@H]1[C@@H](CNC1=O)C1=CC=CC=C1)C1=CC=CC(Br)=C1
InChIKey
RQKXQCSEZPQBNZ-QSBCOWLBSA-N
NCBI gene ID
UniProt ID
Synonyms
PAR2
Mode of action
Agonist
Affinity biochemical assay type
Agonist activity at human PAR2 expressed in HEK293T cells assessed as stimulation of phosphatidylinositol hydrolysis after 45 mins by scintillation counting analysis
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
Agonist activity at human PAR2 expressed in HEK293T cells assessed as effect on intracellular calcium mobilization by R-SAT assay
Compound image 
ELAGOLIX
GPCR
GNRHR
Ki = 0.89
IC50 = 1.51
Compound EUbOPEN ID
EUB0000472aNa
SMILES
O=C(N(CC1=C(F)C=CC=C1C(F)(F)F)C(C)=C2C3=C(F)C(OC)=CC=C3)N(C[C@H](NCCCC([O-])=O)C4=CC=CC=C4)C2=O.[Na+]
InChIKey
DQYGXRQUFSRDCH-UQIIZPHYSA-M
NCBI gene ID
UniProt ID
Synonyms
LHRHR
Mode of action
Antagonist
Affinity biochemical assay type
Displacement of [125I-Tyr5,DLeu6,NMeLeu7,Pro9-NEt-]GnRH from human GnRH receptor expressed in HEK293 cells by liquid scintillation counting
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
Antagonist activity at human GnRH receptor expressed in RBL1 cells assessed as inhibition of GnRH-stimulated inositol phosphate production
Compound image 
PLERIXAFOR
GPCR
CCR2
IC50 = 0.06
Compound EUbOPEN ID
EUB0000474aCl
SMILES
[H]Cl.C(N1CCCNCCNCCCNCC1)C1=CC=C(CN2CCCNCCNCCCNCC2)C=C1
InChIKey
VZVSLNRDUPMOSZ-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
CC-CKR-2, CKR2, MCP-1-R, CD192, FLJ78302
Mode of action
Antagonist
Affinity biochemical assay type
Displacement of [125I]MCP1 from CCR2/CXCR4 expressed in CHOK1 cells
Affinity Biochemical Source Knowledge
Compound image 
PITOLISANT
GPCR
HRH3
Ki = 2.6
IC50 = 12.02
Compound EUbOPEN ID
EUB0000475aCl
SMILES
[H]Cl.ClC1=CC=C(CCCOCCCN2CCCCC2)C=C1
InChIKey
XLFKECRRMPOAQS-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
GPCR97
Mode of action
Inverse agonist
Affinity biochemical assay type
Displacement of [125I]iodoproxyfan from human recombinant histamine H3 receptor expressed in CHO-K1 cells
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
Antagonist activity at human cloned histamine H3 receptor expressed in CHO-K1 cells assessed as inhibition of R-alpha-methylhistamine-induced [35S]GTPgammaS binding
Compound image 
FEXOFENADINE
GPCR
HRH1
Ki = 26.92
Compound EUbOPEN ID
EUB0000477aCl
SMILES
[H]Cl.CC(C)(C(O)=O)C1=CC=C(C=C1)C(O)CCCN1CCC(CC1)C(O)(C1=CC=CC=C1)C1=CC=CC=C1
InChIKey
RRJFVPUCXDGFJB-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Mode of action
Antagonist
Affinity biochemical assay type
Displacement of [3H]pyrilamine from human recombinant histamine H1 receptor expressed in CHO cell by Betaplate scintillation counting
Affinity Biochemical Source Knowledge
Compound image 
LATREPIRDINE
GPCR
HTR7
Ki = 7.94
Compound EUbOPEN ID
EUB0000480a
SMILES
CN1CCC2=C(C1)C1=CC(C)=CC=C1N2CCC1=CC=C(C)N=C1
InChIKey
JNODQFNWMXFMEV-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
5-HT7
Mode of action
Antagonist
Affinity biochemical assay type
Binding affinity to 5HT7 receptor by radioligand displacement assay
Affinity Biochemical Source Knowledge
Compound image 
LATREPIRDINE
GPCR
HTR6
Ki = 33.88
IC50 = 1011.58
Compound EUbOPEN ID
EUB0000480a
SMILES
CN1CCC2=C(C1)C1=CC(C)=CC=C1N2CCC1=CC=C(C)N=C1
InChIKey
JNODQFNWMXFMEV-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
5-HT6, 5-HT6R
Affinity biochemical assay type
Binding affinity to human recombinant 5HT6 receptor by radioligand displacement assay
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
Antagonist activity at human recombinant 5HT6 receptor expressed in HEK293 cells assessed as inhibition of serotonin-induced cAMP production by LANCE assay
Compound image 
LATREPIRDINE
GPCR
ADRA1A
Ki = 60.26
Compound EUbOPEN ID
EUB0000480a
SMILES
CN1CCC2=C(C1)C1=CC(C)=CC=C1N2CCC1=CC=C(C)N=C1
InChIKey
JNODQFNWMXFMEV-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
ADRA1L1
Affinity biochemical assay type
Binding affinity to adrenergic alpha1A receptor by radioligand displacement assay
Affinity Biochemical Source Knowledge
Compound image 
LATREPIRDINE
GPCR
HTR2A
Ki = 61.66
Compound EUbOPEN ID
EUB0000480a
SMILES
CN1CCC2=C(C1)C1=CC(C)=CC=C1N2CCC1=CC=C(C)N=C1
InChIKey
JNODQFNWMXFMEV-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
5-HT2A
Affinity biochemical assay type
Displacement of [3H]Ketanserin from human recombinant 5HT2A receptor expressed in CHO-K1 cells
Affinity Biochemical Source Knowledge
Compound image 
LATREPIRDINE
GPCR
HTR2C
Ki = 75.86
Compound EUbOPEN ID
EUB0000480a
SMILES
CN1CCC2=C(C1)C1=CC(C)=CC=C1N2CCC1=CC=C(C)N=C1
InChIKey
JNODQFNWMXFMEV-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
5-HT2C, 5HTR2C
Affinity biochemical assay type
Binding affinity to 5HT2C receptor by radioligand displacement assay
Affinity Biochemical Source Knowledge
Compound image 
LATREPIRDINE
GPCR
ADRA2A
Ki = 109.65
Compound EUbOPEN ID
EUB0000480a
SMILES
CN1CCC2=C(C1)C1=CC(C)=CC=C1N2CCC1=CC=C(C)N=C1
InChIKey
JNODQFNWMXFMEV-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
ADRAR
Affinity biochemical assay type
Displacement of [3H]MK-912 from human recombinant adrenergic alpha2A receptor expressed in insect Sf9 cells
Affinity Biochemical Source Knowledge
Compound image 
LATREPIRDINE
GPCR
HRH1
IC50 = 158.49
Compound EUbOPEN ID
EUB0000480a
SMILES
CN1CCC2=C(C1)C1=CC(C)=CC=C1N2CCC1=CC=C(C)N=C1
InChIKey
JNODQFNWMXFMEV-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Affinity on-target cellular assay type
Antagonist activity at human histamine H1 receptor in SK-N-SH cells assessed as inhibition of histamine-induced calcium level increase during phase-1 compound incubated before histamine addition by Fura-2 based fluorometric assay
Compound image 
Zinterol
GPCR
ADRB2
EC50 = 0.05
Compound EUbOPEN ID
EUB0000482aCl
SMILES
[H]Cl.CC(C)(CC1=CC=CC=C1)NCC(O)C1=CC=C(O)C(NS(C)(=O)=O)=C1
InChIKey
LVNUBJDWJFOMKH-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
ADRBR, BAR, B2AR
Mode of action
Agonist
Affinity on-target cellular assay type
Agonist activity at human recombinant beta2 adrenergic receptor expressed in CHO cells assessed as elevation in cAMP level after 1 hr by flashplate method
Compound image 
PAMOIC ACID
GPCR
GPR35
EC50 = 23.99
Compound EUbOPEN ID
EUB0000484b
SMILES
OC(=O)C1=CC2=C(C=CC=C2)C(CC2=C3C=CC=CC3=CC(C(O)=O)=C2O)=C1O
InChIKey
WLJNZVDCPSBLRP-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Affinity biochemical assay type
Agonist activity at human GPR35 expressed in CHO cells assessed as induction of beta-arrestin recruitment after 90 mins by beta-galactosidase reporter gene assay
Affinity Biochemical Source Knowledge
Compound image 
CARIPRAZINE
GPCR
DRD3
Ki = 0.09
EC50 = 5.75
Compound EUbOPEN ID
EUB0000493aCl
SMILES
[H]Cl.CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)C2=C(Cl)C(Cl)=CC=C2)CC1
InChIKey
GPPJWWMREQHLQT-BHQIMSFRSA-N
NCBI gene ID
UniProt ID
Mode of action
Antagonist
Affinity biochemical assay type
Binding affinity to human dopamine D3 receptor
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
Agonist activity at human dopamine D3 receptor transiently expressed in HEK293 cells co-expressing Galphao1 after 30 mins by [35S]GTPgammaS binding assay
Compound image 
CARIPRAZINE
GPCR
DRD2
Ki = 0.81
EC50 = 110.92
Compound EUbOPEN ID
EUB0000493aCl
SMILES
[H]Cl.CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)C2=C(Cl)C(Cl)=CC=C2)CC1
InChIKey
GPPJWWMREQHLQT-BHQIMSFRSA-N
NCBI gene ID
UniProt ID
Affinity biochemical assay type
Binding affinity to human dopamine D2L receptor
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
Agonist activity at human dopamine D2 short receptor transiently expressed in HEK293 cells co-expressing Galphai2 after 30 mins by [35S]GTPgammaS binding assay
Compound image 
CARIPRAZINE
GPCR
HTR1A
Ki = 2.82
Compound EUbOPEN ID
EUB0000493aCl
SMILES
[H]Cl.CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)C2=C(Cl)C(Cl)=CC=C2)CC1
InChIKey
GPPJWWMREQHLQT-BHQIMSFRSA-N
NCBI gene ID
UniProt ID
Synonyms
5-hydroxytryptamine receptor 1A
Affinity biochemical assay type
Displacement of [3H]8-OH-DPAT from recombinant human 5-HT1A receptor expressed in HEK293 cell membranes after 60 mins by scintillation counting method
Affinity Biochemical Source Knowledge
Compound image 
INDACATEROL
GPCR
ADRB2
Ki = 39.35
EC50 = 10.96
Compound EUbOPEN ID
EUB0000499a
SMILES
CCC1=CC2=C(CC(C2)NC[C@H](O)C2=C3C=CC(=O)NC3=C(O)C=C2)C=C1CC
InChIKey
QZZUEBNBZAPZLX-QFIPXVFZSA-N
NCBI gene ID
UniProt ID
Synonyms
ADRBR, BAR, B2AR
Mode of action
Agonist
Affinity biochemical assay type
Displacement of [125I]cyanopindolol from human recombinant beta2 adrenergic receptor expressed in CHO cells by filtration assay
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
Agonist activity at human beta2 adrenergic receptor assessed as increase in cAMP level by whole cell assay
Compound image 
INDACATEROL
GPCR
ADRB1
Ki = 91.2
Compound EUbOPEN ID
EUB0000499a
SMILES
CCC1=CC2=C(CC(C2)NC[C@H](O)C2=C3C=CC(=O)NC3=C(O)C=C2)C=C1CC
InChIKey
QZZUEBNBZAPZLX-QFIPXVFZSA-N
NCBI gene ID
UniProt ID
Affinity biochemical assay type
Displacement of [3H]CGP12177 from human beta-1 adrenoceptor
Affinity Biochemical Source Knowledge
Compound image 
INDACATEROL
GPCR
DRD3
Ki = 1047.13
Compound EUbOPEN ID
EUB0000499a
SMILES
CCC1=CC2=C(CC(C2)NC[C@H](O)C2=C3C=CC(=O)NC3=C(O)C=C2)C=C1CC
InChIKey
QZZUEBNBZAPZLX-QFIPXVFZSA-N
NCBI gene ID
UniProt ID
Affinity biochemical assay type
Displacement of [125I]7-HO-PIPAT from human D3R expressed in HEK cells
Affinity Biochemical Source Knowledge
Compound image 
NIBR0213
GPCR
S1PR1
IC50 = 2
Compound EUbOPEN ID
EUB0000501a
SMILES
C[C@H](NC(=O)C1=C(C)C=C(C=C1C)C1=CC(N[C@H](C)C2=CC(C)=C(Cl)C=C2)=CC=C1)C(O)=O
InChIKey
KYHUARFFBDLROH-MOPGFXCFSA-N
NCBI gene ID
UniProt ID
Synonyms
edg-1, D1S3362, CD363
Mode of action
Antagonist
Affinity on-target cellular assay type
Antagonist activity at human S1P1 receptor expressed in CHO cells after 120 mins by [35S]GTPgammaS binding assay
Compound image 
GPR120 Compound A
GPCR
FFAR4
EC50 = 80.35
Compound EUbOPEN ID
EUB0000519a
SMILES
OC(=O)CC1CCC2(CC1)CCN(CC2)C1=CC(OC(F)(F)F)=CC=C1Cl
InChIKey
WUJVPELCYCESAP-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
PGR4
Mode of action
Agonist
Affinity biochemical assay type
Agonist activity at ARMS2-PK2 -tagged human GPR120 short isoform expressed in CHOK1 cells assessed as induction of beta-arrestin2 recruitment after 90 mins by luminescence assay
Affinity Biochemical Source Knowledge
Compound image 
GLPG-0974
GPCR
FFAR2
IC50 = 10.35
Compound EUbOPEN ID
EUB0000521a
SMILES
C[C@@]1(CCN1C(=O)C1=CSC2=CC=CC=C12)C(=O)N(CCCC(O)=O)CC1=CC(Cl)=CC=C1
InChIKey
MPMKMQHJHDHPBE-RUZDIDTESA-N
NCBI gene ID
UniProt ID
Synonyms
FFA2R
Mode of action
Antagonist
Affinity on-target cellular assay type
Antagonist activity against human FFA2 receptor expressed in HEK293 cells assessed as inhibition of sodium acetate-induced calcium mobilization
Compound image 
A 971432
GPCR
S1PR5
EC50 = 5.75
Compound EUbOPEN ID
EUB0000524a
SMILES
OC(=O)C1CN(CC2=CC=C(OCC3=CC(Cl)=C(Cl)C=C3)C=C2)C1
InChIKey
WAAWETUDFSIYSD-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
Edg-8
Mode of action
Agonist
Affinity biochemical assay type
Agonist activity at S1P5 receptor (unknown origin) expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation by GTPgammaS binding assay
Affinity Biochemical Source Knowledge
Compound image 
CYCLOPAMINE
GPCR
SMO
IC50 = 64.57
Compound EUbOPEN ID
EUB0000526a
SMILES
C[C@H]1C[C@@H]2[C@H]([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CC=C6C[C@H](CC[C@@]6([C@H]5CC4=C3C)C)O)C)NC1
InChIKey
QASFUMOKHFSJGL-LAFRSMQTSA-N
NCBI gene ID
UniProt ID
Synonyms
FZD11
Mode of action
Antagonist
Affinity biochemical assay type
Antagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
Affinity Biochemical Source Knowledge
Compound image 
PURVALANOL A
GPCR
TSHR
EC50 = 12.59
Compound EUbOPEN ID
EUB0000529a
SMILES
CC(C)[C@H](CO)NC1=NC(NC2=CC=CC(Cl)=C2)=C2N=CN(C(C)C)C2=N1
InChIKey
PMXCMJLOPOFPBT-HNNXBMFYSA-N
NCBI gene ID
UniProt ID
Synonyms
LGR3
Affinity on-target cellular assay type
PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory)
Compound image 
FLUMAZENIL
GPCR
TSHR
EC50 = 31.62
Compound EUbOPEN ID
EUB0000531a
SMILES
CCOC(=O)C1=C2CN(C)C(=O)C3=C(C=CC(F)=C3)N2C=N1
InChIKey
OFBIFZUFASYYRE-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
LGR3
Affinity on-target cellular assay type
PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory)
Compound image 
SB-203580
GPCR
GCGR
IC50 = 37.15
Compound EUbOPEN ID
EUB0000534a
SMILES
CS(=O)C1=CC=C(C=C1)C1=NC(=C(N1)C1=CC=NC=C1)C1=CC=C(F)C=C1
InChIKey
CDMGBJANTYXAIV-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
GGR
Mode of action
Antagonist
Affinity biochemical assay type
Antagonist activity at human glucagon receptor
Affinity Biochemical Source Knowledge
Compound image 
ML351
GPCR
TSHR
EC50 = 100
Compound EUbOPEN ID
EUB0000537a
SMILES
CNC1=C(N=C(O1)C1=C2C=CC=CC2=CC=C1)C#N
InChIKey
DYXYXTDIFMDJIR-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
LGR3
Affinity on-target cellular assay type
PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory)
Compound image 
ML351
GPCR
HCRTR1
IC50 = 1757.92
Compound EUbOPEN ID
EUB0000537a
SMILES
CNC1=C(N=C(O1)C1=C2C=CC=CC2=CC=C1)C#N
InChIKey
DYXYXTDIFMDJIR-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
OX1R
Affinity on-target cellular assay type
PUBCHEM_BIOASSAY: Homogeneous Time Resolved Fluorescence (HTRF)-based cell-based high throughput dose response assay for antagonists of the orexin 1 receptor (OX1R; HCRTR1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID434989, AID435008, AID463079, AID485270, AID492963, AID492964, AID492965, AID493232, AID504717, AID504718]
Compound image 
UCSF924
GPCR
DRD4
Ki = 3
EC50 = 4.2
GPCR set
1 µM
Compound EUbOPEN ID
EUB0000539a
SMILES
Cc1ccc2c(c1)C(C=C(CNCCCOc1ccccc1)N2)=O
InChIKey
RPHDOVLXDYWDGF-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Mode of action
Agonist
Negative control
UCSF924NC
Affinity biochemical assay type
Radioligand binding assay
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
Split luciferase based cAMP receptor assay (HEK293T cells)
Selectivity platform
PRESTO-Tango GPCR-ome screening
Selectivity platform number of targets
320
Selectivity remarks
Screened at 1 µM (activity assay in HTLA cells), closest targets: Ki(DRD4 )= 4.9 nM, Ki(HTR1A) = 223 nM, Ki(HTR2B) = 236.67 nM, Ki(NMDA) = 1004 nM, Ki(HRH2) = 1909.67, Ki(SLC6A3) = 2116.67 nM; Screened against D2-like family: > 3300-fold selective (DRD2 Ki > 10 µM, DRD3 Ki >10 µM)
Selectivity Source Knowledge
Compound image 
PF-04875474
Hydrolase
FAAH
Negative Control
Other targets
1 µM
Compound EUbOPEN ID
EUB0000540a
SMILES
FC(F)(F)c1cnc(Oc2nc(/C=C/CC3CN(C(Nc4nnccc4)=O)C3)cnc2)cc1
InChIKey
WBFGOFIEIRLCBO-DAFODLJHSA-N
NCBI gene ID
UniProt ID
Synonyms
FAAH, FAAH1
Mode of action
Negative control for PF-04457845
Affinity Biochemical Source Knowledge
Compound image 
BI-2049
Protease
EPHX2@Protease
Negative Control
Other targets
100 nM
Compound EUbOPEN ID
EUB0000541a
SMILES
FC1=C(C2=CC=CC=C2)C=CC(C(NC3=CC=C(N4N=C(C5=CC=CN=C5)C=C4C(F)(F)F)C=N3)=O)=C1
InChIKey
QPQWTXYSJPGPST-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
ABHD20, CEH, SEH
Mode of action
Negative control for BI-1935
Affinity Biochemical Source Knowledge
Compound image 
BI-1935
Protease
EPHX2@Protease
IC50 = 7
IC50 < 1
Other targets
100 nM
Compound EUbOPEN ID
EUB0000542a
SMILES
CCOCCN1C=C(C=CC1=O)C(Nc1ccc(cn1)n1c(cc(c2cccnc2)n1)C(F)(F)F)=O
InChIKey
KMESAVNRPDKZCQ-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
ABHD20, CEH, SEH
Mode of action
Inhibitor
Negative control
BI-2049
Affinity biochemical assay type
Human soluble epoxide hydrolase inhibition
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
ELISA (inhibition of sEH in human Hep G2 cells)
Selectivity remarks
Screened against human CYP epoxygenases (Boehringer panel) CYP2J2, CYP2C9, CYP2C19 and IL2: IC50 >1 µM for related targets (> 100-fold selective); Screened against 67 targets (Eurofins-Panlabs) at 10 µM, closest targets: TBXAS1 (96% inhibition, IC50 = 132 nM), 5-Lipoxygenase (66% inhibition, IC50 = 5.92 µM); Screened against 45 GPCR targets (PDSP screen) at 10 µM, closest targets: Ki(SLC6A3) = 4.48 µM, Ki(SIGMAR1) = 6.28 µM; Screened against 468 kinases (KinomeScan DiscoverX) at 1 µM, closest targets as % of contr.: CHEK2 (0%), TYRO3 (0%), JAK1 (JH2domain-pseudokinase) (37%)
Selectivity Source Knowledge
Compound image 
A-1596586
ABC transporter
CFTR
EC50 = 28
Ion Channel
1 µM
Compound EUbOPEN ID
EUB0000544a
SMILES
COc1ccc2c(c1)O[C@@H](C[C@@H]2NC(C1(CC1)c1ccc2c(c1)OC(O2)(F)F)=O)c1ccc(c(c1)OC)OC
InChIKey
KDOQEEMQPHIANX-REWPJTCUSA-N
NCBI gene ID
UniProt ID
Synonyms
CFTR, ABCC7
Mode of action
Corrector
Negative control
A-1596584
Affinity on-target cellular assay type
CFTR Restoration Trans-Epithelial Current Clamp (TECC) assay (in HBE cells from F508del CF patients)
Selectivity platform
CEREP panel (Eurofins)
Selectivity platform number of targets
71
Selectivity remarks
Screened at 10 µM (binding assay), closest targets as % inhibition: BZD peripheral (95.5%), ADORA3 (63.9%) and ADRA2B (63.5%); Screened against 468 kinases (KinomeScan DiscoverX) at 1 µM, closest target: HIPK4 (51%); Screened against 45 GPCR targets (PDSP screen) at 10 µM, closest targets: Ki(GABA/PBR) = 19.59 nM, Ki(SIGMAR1) = 314.63 nM, Ki(TMEM97) = 1192.34;Screened in Eurofins-Cerep panel against 7 targets at 10 µM (enzymes and uptake assays): clean profile;
Selectivity Source Knowledge
Compound image 
BI-0054
SLC
SLC9A1
Negative Control
Ion Channel
1 µM
Compound EUbOPEN ID
EUB0000545a
SMILES
CC(=O)N1CCC(CC1)c2ccc(cc2C(F)(F)F)C(=O)NC3=NCCN3
InChIKey
UPJRPOWMFLBSKZ-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
APNH LIKNS NHE-1 NHE1 PPP1R143
Mode of action
Negative control for BI-9627
Affinity Biochemical Source Knowledge
Compound image 
PF-05257137
TRP channel
TRPM8
Negative Control
Ion Channel
1 µM
Compound EUbOPEN ID
EUB0000546a
SMILES
C[C@H](C1=CC=C(C=C1)F)N(C(C2=CC3=CC=CC=C3N=C2)=O)CC4=CC(C(O)=O)=C(Cl)C=C4
InChIKey
KDAYMLCFQCRZOT-MRXNPFEDSA-N
NCBI gene ID
UniProt ID
Synonyms
TRPM8, LTRPC6, TRPP8
Mode of action
Negative control for PF-05105679
Affinity Biochemical Source Knowledge
Compound image 
A-226
TRP channel
TRPA1
Negative Control
Ion Channel
1 µM
Compound EUbOPEN ID
EUB0000547a
SMILES
CCC(/C(C)=C/c1cc(C)c(F)cc1)=N\O
InChIKey
WRHHATMLNUQQTB-MZRBSKCNSA-N
NCBI gene ID
UniProt ID
Synonyms
TRPA1, ANKTM1
Mode of action
Negative control for A-079
Affinity Biochemical Source Knowledge
Compound image 
BAY-207
P2X receptors
P2RX4
Negative Control
Ion Channel
1 µM
Compound EUbOPEN ID
EUB0000548a
SMILES
C1CC1(C(Nc1ccc(c(c1)S(N)(=O)=O)Oc1cccc(c1)[Cl])=O)c1ccccc1[Cl]
InChIKey
JXAOITUGCKTSTF-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
P2RX4
Mode of action
Negative control for BAY-1797
Affinity Biochemical Source Knowledge
Compound image 
BI-9446
Integrin
ITGAL
Negative Control
Ion Channel
100 nM
Compound EUbOPEN ID
EUB0000549a
SMILES
C[C@@]1(Cc2ccc(C#N)cc2)C(N(c2cc(cc(c2)[Cl])[Cl])c2ncc(C(NC3(CC3)c3nc(C4CCC4)no3)=O)n12)=O
InChIKey
VATLFUUMDRXLTK-GDLZYMKVSA-N
NCBI gene ID
UniProt ID
Synonyms
ITGAL, CD11A
Mode of action
Negative control for BI-1950
Affinity Biochemical Source Knowledge
Compound image 
Meclizine dihydrochloride
Nuclear-receptor
NR1I3
IC50 = 63
NR
Compound EUbOPEN ID
EUB0000551aCl
SMILES
CC1=CC(=CC=C1)CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=C(C=C4)Cl.Cl.Cl
InChIKey
VCTHNOIYJIXQLV-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
MB67, CAR1, CAR
Mode of action
Antagonist
Affinity on-target cellular assay type
cell-based
Selectivity platform
in house
Selectivity remarks
inactive at 1 µM for VDR, NR1I2, VP16 and RXRA
Selectivity Source Knowledge
Compound image 
T3
Nuclear-receptor
THRA
EC50 = 2
NR
Compound EUbOPEN ID
EUB0000555a
SMILES
N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(O)=O
InChIKey
AUYYCJSJGJYCDS-LBPRGKRZSA-N
NCBI gene ID
UniProt ID
Synonyms
EAR-7.1/EAR-7.2, THRA3, AR7, ERBA, NR1A1
Mode of action
Agonist
Affinity on-target cellular assay type
cell-based
Selectivity platform
in house
Selectivity remarks
inactive at 1 µM for VP16 and RXRA
Selectivity Source Knowledge
Compound image 
T3
Nuclear-receptor
THRB
EC50 = 2
NR
Compound EUbOPEN ID
EUB0000555a
SMILES
N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(O)=O
InChIKey
AUYYCJSJGJYCDS-LBPRGKRZSA-N
NCBI gene ID
UniProt ID
Synonyms
THRB1, THRB2, NR1A2, THR1, ERBA-BETA, GRTH
Mode of action
Agonist
Affinity on-target cellular assay type
cell-based
Selectivity platform
in house
Selectivity remarks
inactive at 1 µM for VP16 and RXRA
Selectivity Source Knowledge
Compound image 
Tazarotene
Nuclear-receptor
RARB
EC50 = 0.8
NR
Compound EUbOPEN ID
EUB0000563a
SMILES
CCOC(=O)C1=CN=C(C=C1)C#CC2=CC3=C(C=C2)SCCC3(C)C
InChIKey
OGQICQVSFDPSEI-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
HAP, NR1B2, RRB2
Mode of action
Agonist
Affinity on-target cellular assay type
cell-based
Selectivity platform
in house
Selectivity remarks
inactive at 1 µM for VP16 and RXRA
Selectivity Source Knowledge
Compound image 
Tazarotene
Nuclear-receptor
RARA
EC50 = 63
NR
Compound EUbOPEN ID
EUB0000563a
SMILES
CCOC(=O)C1=CN=C(C=C1)C#CC2=CC3=C(C=C2)SCCC3(C)C
InChIKey
OGQICQVSFDPSEI-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
RAR, NR1B1
Mode of action
Agonist
Affinity on-target cellular assay type
cell-based
Selectivity platform
in house
Selectivity remarks
inactive at 1 µM for VP16 and RXRA
Selectivity Source Knowledge
Compound image 
Tazarotene
Nuclear-receptor
RARG
EC50 = 40
NR
Compound EUbOPEN ID
EUB0000563a
SMILES
CCOC(=O)C1=CN=C(C=C1)C#CC2=CC3=C(C=C2)SCCC3(C)C
InChIKey
OGQICQVSFDPSEI-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
RARC, NR1B3
Mode of action
Agonist
Affinity on-target cellular assay type
cell-based
Selectivity platform
in house
Selectivity remarks
inactive at 1 µM for VP16 and RXRA
Selectivity Source Knowledge
Compound image 
Adapalene
Nuclear-receptor
RARB
EC50 = 2
NR
Compound EUbOPEN ID
EUB0000564a
SMILES
COC1=C(C=C(C=C1)C2=CC3=C(C=C2)C=C(C=C3)C(=O)O)C45CC6CC(C4)CC(C6)C5
InChIKey
LZCDAPDGXCYOEH-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
HAP, NR1B2, RRB2
Mode of action
Agonist
Affinity on-target cellular assay type
cell-based
Selectivity platform
in house
Selectivity remarks
inactive at 1 µM for VP16 and RXRA
Selectivity Source Knowledge
Compound image 
Adapalene
Nuclear-receptor
RARA
EC50 = 22
NR
Compound EUbOPEN ID
EUB0000564a
SMILES
COC1=C(C=C(C=C1)C2=CC3=C(C=C2)C=C(C=C3)C(=O)O)C45CC6CC(C4)CC(C6)C5
InChIKey
LZCDAPDGXCYOEH-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
RAR, NR1B1
Mode of action
Agonist
Affinity on-target cellular assay type
cell-based
Selectivity platform
in house
Selectivity remarks
inactive at 1 µM for VP16 and RXRA
Selectivity Source Knowledge
Compound image 
Adapalene
Nuclear-receptor
RARG
EC50 = 3
NR
Compound EUbOPEN ID
EUB0000564a
SMILES
COC1=C(C=C(C=C1)C2=CC3=C(C=C2)C=C(C=C3)C(=O)O)C45CC6CC(C4)CC(C6)C5
InChIKey
LZCDAPDGXCYOEH-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
RARC, NR1B3
Mode of action
Agonist
Affinity on-target cellular assay type
cell-based
Selectivity platform
in house
Selectivity remarks
inactive at 1 µM for VP16 and RXRA
Selectivity Source Knowledge
Compound image 
BMS753
Nuclear-receptor
RARA
EC50 =
NR
Compound EUbOPEN ID
EUB0000565a
SMILES
CC1(C2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)C(=O)O)C(C1=O)(C)C)C
InChIKey
KFBPBWUZXBYJDG-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
RAR, NR1B1
Mode of action
Agonist
Affinity on-target cellular assay type
cell-based
Selectivity platform
in house
Selectivity remarks
13 fold activation for RARB, 2 fold activation for RARG, inactive at 1 µM for VP16 and RXRA
Selectivity Source Knowledge
Compound image 
Tamibarotene
Nuclear-receptor
RARB
EC50 = 235
NR
Compound EUbOPEN ID
EUB0000566a
SMILES
CC1(CCC(C2=C1C=CC(=C2)NC(=O)C3=CC=C(C=C3)C(=O)O)(C)C)C
InChIKey
MUTNCGKQJGXKEM-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
HAP, NR1B2, RRB2
Mode of action
Agonist
Affinity on-target cellular assay type
cell-based
Selectivity platform
in house
Selectivity remarks
inactive at 1 µM for VP16 and RXRA
Selectivity Source Knowledge
Compound image 
Tamibarotene
Nuclear-receptor
RARA
EC50 = 45
NR
Compound EUbOPEN ID
EUB0000566a
SMILES
CC1(CCC(C2=C1C=CC(=C2)NC(=O)C3=CC=C(C=C3)C(=O)O)(C)C)C
InChIKey
MUTNCGKQJGXKEM-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
RAR, NR1B1
Mode of action
Agonist
Affinity on-target cellular assay type
cell-based
Selectivity platform
in house
Selectivity remarks
inactive at 1 µM for VP16 and RXRA
Selectivity Source Knowledge
Compound image 
Tamibarotene
Nuclear-receptor
RARG
EC50 = 591
NR
Compound EUbOPEN ID
EUB0000566a
SMILES
CC1(CCC(C2=C1C=CC(=C2)NC(=O)C3=CC=C(C=C3)C(=O)O)(C)C)C
InChIKey
MUTNCGKQJGXKEM-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
RARC, NR1B3
Mode of action
Agonist
Affinity on-target cellular assay type
cell-based
Selectivity platform
in house
Selectivity remarks
inactive at 1 µM for VP16 and RXRA
Selectivity Source Knowledge
Compound image 
Ro 40-6055
Nuclear-receptor
RARB
EC50 = 8.6
NR
Compound EUbOPEN ID
EUB0000567a
SMILES
CC1(CCC(C2=C1C=CC(=C2)C(=O)NC3=CC=C(C=C3)C(=O)O)(C)C)C
InChIKey
SZWKGOZKRMMLAJ-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
HAP, NR1B2, RRB2
Mode of action
Agonist
Affinity on-target cellular assay type
cell-based
Selectivity platform
in house
Selectivity remarks
inactive at 1 µM for VP16 and RXRA
Selectivity Source Knowledge
Compound image 
Ro 40-6055
Nuclear-receptor
RARA
EC50 = 0.3
NR
Compound EUbOPEN ID
EUB0000567a
SMILES
CC1(CCC(C2=C1C=CC(=C2)C(=O)NC3=CC=C(C=C3)C(=O)O)(C)C)C
InChIKey
SZWKGOZKRMMLAJ-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
RAR, NR1B1
Mode of action
Agonist
Affinity on-target cellular assay type
cell-based
Selectivity platform
in house
Selectivity remarks
inactive at 1 µM for VP16 and RXRA
Selectivity Source Knowledge
Compound image 
Ro 40-6055
Nuclear-receptor
RARG
EC50 = 13
NR
Compound EUbOPEN ID
EUB0000567a
SMILES
CC1(CCC(C2=C1C=CC(=C2)C(=O)NC3=CC=C(C=C3)C(=O)O)(C)C)C
InChIKey
SZWKGOZKRMMLAJ-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
RARC, NR1B3
Mode of action
Agonist
Affinity on-target cellular assay type
cell-based
Selectivity platform
in house
Selectivity remarks
inactive at 1 µM for VP16 and RXRA
Selectivity Source Knowledge
Compound image 
AHPN
Nuclear-receptor
RARG
EC50 = 50
NR
Compound EUbOPEN ID
EUB0000568a
SMILES
C1C2CC3CC1CC(C2)(C3)C4=C(C=CC(=C4)C5=CC6=C(C=C5)C=C(C=C6)C(=O)O)O
InChIKey
LDGIHZJOIQSHPB-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
RARC, NR1B3
Mode of action
Agonist
Affinity on-target cellular assay type
cell-based
Selectivity platform
literature; in house
Selectivity remarks
EC50 at >10000 nM for RARA; inactive at 1 µM for VP16 and RXRA
Selectivity Source Knowledge
Compound image 
AHPN
Nuclear-receptor
RARB
EC50 = 226
NR
Compound EUbOPEN ID
EUB0000568a
SMILES
C1C2CC3CC1CC(C2)(C3)C4=C(C=CC(=C4)C5=CC6=C(C=C5)C=C(C=C6)C(=O)O)O
InChIKey
LDGIHZJOIQSHPB-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
HAP, NR1B2, RRB2
Mode of action
Agonist
Affinity on-target cellular assay type
cell-based
Selectivity platform
literature; in house
Selectivity remarks
EC50 at >10000 nM for RARA; inactive at 1 µM for VP16 and RXRA
Selectivity Source Knowledge
Compound image 
GW0742
Nuclear-receptor
PPARD
EC50 = 1
NR
Compound EUbOPEN ID
EUB0000569a
SMILES
CC1=C(C=CC(=C1)SCC2=C(N=C(S2)C3=CC(=C(C=C3)C(F)(F)F)F)C)OCC(=O)O
InChIKey
HWVNEWGKWRGSRK-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
NUC1, NUCII, FAAR, NR1C2
Mode of action
Agonist
Affinity on-target cellular assay type
cell-based
Selectivity platform
literature; in house
Selectivity remarks
EC50 at 1100 nM for PPARA, EC50 at 2000 nM for PPARG; inactive at 1 µM for VP16 and RXRA
Selectivity Source Knowledge
Compound image 
GW1929 hydrate
Nuclear-receptor
PPARG
EC50 = 4
NR
Compound EUbOPEN ID
EUB0000570a
SMILES
CN(C1=CC=CC=N1)CCOC2=CC=C(C[C@H](NC3=CC=CC=C3C(C4=CC=CC=C4)=O)C(O)=O)C=C2.[H]O[H]
InChIKey
XSITZVFUXCLFMK-YCBFMBTMSA-N
NCBI gene ID
UniProt ID
Synonyms
PPARG1, PPARG2, NR1C3, PPARgamma
Mode of action
Agonist
Affinity on-target cellular assay type
cell-based
Selectivity platform
literature; in house
Selectivity remarks
inactive for PPARA and PPARD; inactive at 1 µM for VP16 and RXRA
Selectivity Source Knowledge
Compound image 
S26948
Nuclear-receptor
PPARG
EC50 = 40
NR
Compound EUbOPEN ID
EUB0000571a
SMILES
COC(=O)C(CC1=CC=C(C=C1)OCCN2C3=C(C=C(C=C3)C(=O)C4=CC=CC=C4)SC2=O)C(=O)OC
InChIKey
NSMJEHGOMXSLCW-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
PPARG1, PPARG2, NR1C3, PPARgamma
Mode of action
Agonist
Affinity on-target cellular assay type
cell-based
Selectivity platform
literature; in house
Selectivity remarks
inactive for PPARA and PPARD; inactive at 1 µM for VP16 and RXRA
Selectivity Source Knowledge
Compound image 
GW3965
Nuclear-receptor
NR1H2
EC50 = 30
NR
Compound EUbOPEN ID
EUB0000572aCl
SMILES
C1=CC=C(C=C1)C(CN(CCCOC2=CC=CC(=C2)CC(=O)O)CC3=C(C(=CC=C3)C(F)(F)F)Cl)C4=CC=CC=C4.Cl
InChIKey
NMPUWJFHNOUNQU-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
NER, NER-I, RIP15, LXR-b, LXRb
Mode of action
Agonist
Affinity on-target cellular assay type
cell-based
Selectivity platform
in house
Selectivity remarks
2 fold activation for NR1H4, inactive at 1 µM for VP16 and RXRA
Selectivity Source Knowledge
Compound image 
GW3965
Nuclear-receptor
NR1H3
EC50 = 190
NR
Compound EUbOPEN ID
EUB0000572aCl
SMILES
C1=CC=C(C=C1)C(CN(CCCOC2=CC=CC(=C2)CC(=O)O)CC3=C(C(=CC=C3)C(F)(F)F)Cl)C4=CC=CC=C4.Cl
InChIKey
NMPUWJFHNOUNQU-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
LXR-a, RLD-1, LXRa
Mode of action
Agonist
Affinity on-target cellular assay type
cell-based
Selectivity platform
in house
Selectivity remarks
2 fold activation for NR1H4, inactive at 1 µM for VP16 and RXRA
Selectivity Source Knowledge
Compound image 
XL335
Nuclear-receptor
NR1H4
EC50 = 15
NR
Compound EUbOPEN ID
EUB0000573a
SMILES
CC(C)OC(=O)C1=CN(CC(C2=C1NC3=CC=CC=C32)(C)C)C(=O)C4=CC(=C(C=C4)F)F
InChIKey
INASOKQDNHHMRE-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
FXR, RIP14, HRR1, HRR-1
Mode of action
Agonist
Affinity on-target cellular assay type
cell-based
Selectivity platform
in house
Selectivity remarks
inactive at 1 µM for NR1H2, NR1H3, VP16 and RXRA
Selectivity Source Knowledge
Compound image 
Rifampicin
Nuclear-receptor
NR1I2
EC50 = 1335
NR
Compound EUbOPEN ID
EUB0000574a
SMILES
C[C@H]1/C=C/C=C(\C(=O)NC2=C(C(=C3C(=C2O)C(=C(C4=C3C(=O)[C@](O4)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)/C=N/N5CCN(CC5)C)/C
InChIKey
JQXXHWHPUNPDRT-WLSIYKJHSA-N
NCBI gene ID
UniProt ID
Synonyms
ONR1, PXR, BXR, SXR, PAR2
Mode of action
Agonist
Affinity on-target cellular assay type
cell-based
Selectivity platform
in house
Selectivity remarks
1.6 fold activation for VDR, inacitve at 1 µM for NR1I3, VP16 and RXRA
Selectivity Source Knowledge
Compound image 
Lovastatin
Nuclear-receptor
NR1I2
EC50 = 2300
NR
Compound EUbOPEN ID
EUB0000575a
SMILES
CC[C@H](C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O)C
InChIKey
PCZOHLXUXFIOCF-BXMDZJJMSA-N
NCBI gene ID
UniProt ID
Synonyms
ONR1, PXR, BXR, SXR, PAR2
Mode of action
Agonist
Affinity on-target cellular assay type
cell-based
Selectivity platform
in house
Selectivity remarks
1.2 fold activation for VDR, active at 1 µM for VP16, inacitve at 1 µM for NR1I3 and RXRA
Selectivity Source Knowledge
Compound image 
SR12813
Nuclear-receptor
NR1I2
EC50 = 137
NR
Compound EUbOPEN ID
EUB0000576a
SMILES
CCOP(=O)(C(=CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)P(=O)(OCC)OCC)OCC
InChIKey
YQLJDECYQDRSBI-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
ONR1, PXR, BXR, SXR, PAR2
Mode of action
Agonist
Affinity on-target cellular assay type
cell-based
Selectivity platform
in house
Selectivity remarks
inactive at 1 µM for VDR, NR1I3, VP16 and RXRA
Selectivity Source Knowledge
Compound image 
CP 775146
Nuclear-receptor
PPARA
EC50 = 50
NR
Compound EUbOPEN ID
EUB0000581a
SMILES
CC(C)C1=CC=C(C=C1)CC(=O)N2CCC[C@H](C2)C3=CC(=CC=C3)OC(C)(C)C(=O)O
InChIKey
OISHBINQIFNIPV-JOCHJYFZSA-N
NCBI gene ID
UniProt ID
Synonyms
hPPAR, NR1C1
Mode of action
Agonist
Affinity on-target cellular assay type
cell-based
Selectivity platform
in house
Selectivity remarks
3 fold activation for PPARG, inactive at 1 µM for PPARD, VP16 and RXRA
Selectivity Source Knowledge
Compound image 
Seocalcitol
Nuclear-receptor
VDR
EC50 = 0.6
NR
Compound EUbOPEN ID
EUB0000582a
SMILES
CCC(CC)(/C=C/C=C/[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C)O
InChIKey
LVLLALCJVJNGQQ-SEODYNFXSA-N
NCBI gene ID
UniProt ID
Synonyms
NR1I1, PPP1R163
Mode of action
Agonist
Affinity on-target cellular assay type
cell-based
Selectivity platform
in house
Selectivity remarks
inactive at 1 µM for NR1I2, NR1I3, VP16 and RXRA
Selectivity Source Knowledge
Compound image 
Doxercalciferol
Nuclear-receptor
VDR
EC50 = 960
NR
Compound EUbOPEN ID
EUB0000583a
SMILES
C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C
InChIKey
HKXBNHCUPKIYDM-CGMHZMFXSA-N
NCBI gene ID
UniProt ID
Synonyms
NR1I1, PPP1R163
Mode of action
Agonist
Affinity on-target cellular assay type
cell-based
Selectivity platform
in house
Selectivity remarks
inactive at 1 µM for NR1I2, NR1I3, VP16 and RXRA
Selectivity Source Knowledge
Compound image 
Sobetirome
Nuclear-receptor
THRA
EC50 = 3
NR
Compound EUbOPEN ID
EUB0000585a
SMILES
CC1=CC(=CC(=C1CC2=CC(=C(C=C2)O)C(C)C)C)OCC(=O)O
InChIKey
QNAZTOHXCZPOSA-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
EAR-7.1/EAR-7.2, THRA3, AR7, ERBA, NR1A1
Mode of action
Agonist
Affinity on-target cellular assay type
cell-based
Selectivity platform
in house
Selectivity remarks
inactive at 1 µM for VP16 and RXRA
Selectivity Source Knowledge
Compound image 
Sobetirome
Nuclear-receptor
THRB
EC50 = 18
NR
Compound EUbOPEN ID
EUB0000585a
SMILES
CC1=CC(=CC(=C1CC2=CC(=C(C=C2)O)C(C)C)C)OCC(=O)O
InChIKey
QNAZTOHXCZPOSA-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
THRB1, THRB2, NR1A2, THR1, ERBA-BETA, GRTH
Mode of action
Agonist
Affinity on-target cellular assay type
cell-based
Selectivity platform
in house
Selectivity remarks
inactive at 1 µM for VP16 and RXRA
Selectivity Source Knowledge
Compound image 
BI-3047
Nuclear-receptor
NR3C1
Negative Control
NR set
1 µM
Compound EUbOPEN ID
EUB0000586a
SMILES
CCS(C1=NC=C2NC(C[C@@](O)(CC(C3=CC=C(C=C3C(N)=O)F)(C)C)C(F)(F)F)=CC2=C1)(=O)=O
InChIKey
AUIFRJWXYUNPPV-JOCHJYFZSA-N
NCBI gene ID
UniProt ID
Synonyms
GR
Mode of action
Negative control for BI-653048
Affinity Biochemical Source Knowledge
Compound image 
BAY-604
Nudix hydrolase family
NUDT1
Negative Control
Other targets
1 µM
Compound EUbOPEN ID
EUB0000587a
SMILES
CCNC(=O)c1cc2c(ccnc2n1C)N3CCOC[C@H]3C
InChIKey
SYYSMZCCSNLTHZ-LLVKDONJSA-N
NCBI gene ID
UniProt ID
Mode of action
Negative control for BAY-707
Affinity Biochemical Source Knowledge
Compound image 
BMS-345541 (ditrifluoroacetate)
Protein Kinase
IKBKB
Kd = 130
Kinase set
1 µM
Compound EUbOPEN ID
EUB0000589aTFA
SMILES
CC1=CN=C2N1C3=C(C=CC(C)=C3)N=C2NCCN.FC(F)(C(O)=O)F.FC(F)(C(O)=O)F
InChIKey
OWHLFAMVTWAXBL-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
IKK2, NFKBIKB, IKK-beta, IKKB
Mode of action
Allosteric inhibitor
Affinity biochemical assay type
Competition binding assay
Affinity Biochemical Source Knowledge
Selectivity platform
Competition binding assay, literature
Selectivity platform number of targets
442
Selectivity remarks
In vitro follow up of closest targets: Kd(IKKB) = 170 nM, Kd(YSK4) = 200 nM, Kd(CDK11A) = 399 nM, Kd(CDK11B) = 420 nM, Kd(CDK13) = 800 nM, Kd(CDK7) = 680 nM, Kd(MYLK4) = 700 nM; S(300nM) = 0.0052, S(3µM) = 0.0440;
Selectivity Source Knowledge
Compound image 
Afatinib (dimaleate)
Protein Kinase
EGFR
Kd = 0.3
EC50 = 13
Kinase set
100 nM
Compound EUbOPEN ID
EUB0000596aBDA
SMILES
CN(C/C=C/C(=O)NC1=C(C=C2N=CN=C(C2=C1)NC3=CC(=C(C=C3)F)Cl)O[C@@H]4COCC4)C.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O
InChIKey
USNRYVNRPYXCSP-JUGPPOIOSA-N
NCBI gene ID
UniProt ID
Synonyms
ERBB1
Mode of action
Covalent inhibitor
Affinity biochemical assay type
Competition binding assay (DiscoverX)
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
EGFR-phosphorylation in A431 cells
Selectivity platform
KinomeScan (DiscoverX)
Selectivity platform number of targets
442
Selectivity remarks
Closest targets: Kd(GAK) = 79 nM, Kd(BLK) = 220 nM, Kd(ABL,F317L) = 230 nM, Kd(IRAK1) = 240 nM, KD(EPHA6) = 340 nM, Kd(HIPK4) = 360 nM, Kd(ABL,Q252H) = 380 nM, Kd(ABL,E255K) = 420 nM, Kd(PHKG2) = 470 nM,Kd(ABL,H396P) = 500 nM, Kd(ABL,phos.) = 570 nM, Kd(LCK) = 570 nM, Kd(ABL,F317L, nonphos.) = 580 nM, Kd(ABL,F317I, phos.) = 750 nM, Kd(ABL,Q252H, nonphos.) = 790 nM, Kd(ABL,Y253F, phos.) = 830 nM, Kd(ABL,T315I, phos.) = 870 nM, Kd(DYRK1A) = 970 nM, others >1 µM; Screened also against 52 kinases, closest targets: IC50(LYN) = 736 nM, IC50(ABL,T315I)= 1180 nM, others >2 µM (PMID: 18408761)
Selectivity Source Knowledge
Compound image 
Afatinib (dimaleate)
Protein Kinase
ERBB2
Kd = 5
EC50 = 35
Kinase set
100 nM
Compound EUbOPEN ID
EUB0000596aBDA
SMILES
CN(C/C=C/C(=O)NC1=C(C=C2N=CN=C(C2=C1)NC3=CC(=C(C=C3)F)Cl)O[C@@H]4COCC4)C.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O
InChIKey
USNRYVNRPYXCSP-JUGPPOIOSA-N
NCBI gene ID
UniProt ID
Synonyms
NEU, HER-2, CD340, HER2
Mode of action
Covalent inhibitor
Affinity biochemical assay type
Competition binding assay (DiscoverX)
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
HER2-phosphorylation in BT-474 cells
Selectivity platform
KinomeScan (DiscoverX)
Selectivity platform number of targets
442
Selectivity remarks
Closest targets: Kd(GAK) = 79 nM, Kd(BLK) = 220 nM, Kd(ABL,F317L) = 230 nM, Kd(IRAK1) = 240 nM, KD(EPHA6) = 340 nM, Kd(HIPK4) = 360 nM, Kd(ABL,Q252H) = 380 nM, Kd(ABL,E255K) = 420 nM, Kd(PHKG2) = 470 nM,Kd(ABL,H396P) = 500 nM, Kd(ABL,phos.) = 570 nM, Kd(LCK) = 570 nM, Kd(ABL,F317L, nonphos.) = 580 nM, Kd(ABL,F317I, phos.) = 750 nM, Kd(ABL,Q252H, nonphos.) = 790 nM, Kd(ABL,Y253F, phos.) = 830 nM, Kd(ABL,T315I, phos.) = 870 nM, Kd(DYRK1A) = 970 nM, others >1 µM; Screened also against 52 kinases, closest targets: IC50(LYN) = 736 nM, IC50(ABL,T315I)= 1180 nM, others >2 µM (PMID: 18408761)
Selectivity Source Knowledge
Compound image 
Afatinib (dimaleate)
Protein Kinase
ERBB4
Kd = 6.3
Kinase set
100 nM
Compound EUbOPEN ID
EUB0000596aBDA
SMILES
CN(C/C=C/C(=O)NC1=C(C=C2N=CN=C(C2=C1)NC3=CC(=C(C=C3)F)Cl)O[C@@H]4COCC4)C.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O
InChIKey
USNRYVNRPYXCSP-JUGPPOIOSA-N
NCBI gene ID
UniProt ID
Synonyms
ALS19, HER4
Mode of action
Covalent inhibitor
Affinity biochemical assay type
Competition binding assay (DiscoverX)
Affinity Biochemical Source Knowledge
Selectivity platform
KinomeScan (DiscoverX)
Selectivity platform number of targets
442
Selectivity remarks
Closest targets: Kd(GAK) = 79 nM, Kd(BLK) = 220 nM, Kd(ABL,F317L) = 230 nM, Kd(IRAK1) = 240 nM, KD(EPHA6) = 340 nM, Kd(HIPK4) = 360 nM, Kd(ABL,Q252H) = 380 nM, Kd(ABL,E255K) = 420 nM, Kd(PHKG2) = 470 nM,Kd(ABL,H396P) = 500 nM, Kd(ABL,phos.) = 570 nM, Kd(LCK) = 570 nM, Kd(ABL,F317L, nonphos.) = 580 nM, Kd(ABL,F317I, phos.) = 750 nM, Kd(ABL,Q252H, nonphos.) = 790 nM, Kd(ABL,Y253F, phos.) = 830 nM, Kd(ABL,T315I, phos.) = 870 nM, Kd(DYRK1A) = 970 nM, others >1 µM; Screened also against 52 kinases, closest targets: IC50(LYN) = 736 nM, IC50(ABL,T315I)= 1180 nM, others >2 µM (PMID: 18408761)
Selectivity Source Knowledge
Compound image 
GW 2580
Protein Kinase
CSF1R
IC50 = 60
Kinase set
1 µM
Compound EUbOPEN ID
EUB0000598a
SMILES
NC1=NC(N)=C(CC2=CC(OC)=C(OCC3=CC=C(OC)C=C3)C=C2)C=N1
InChIKey
MYQAUKPBNJWPIE-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
C-FMS, CSFR, CD115
Mode of action
Inhibitor
Affinity biochemical assay type
Enzymatic inhibition assay
Affinity Biochemical Source Knowledge
Selectivity platform
KinomeScan (DiscoverX)
Selectivity platform number of targets
468
Selectivity remarks
Closest targets with Kd <100 nM: NTRK2, targets with 100 nM < Kd < 1 µM: NTRK1, NTRK3, others >1 µM
Selectivity Source Knowledge
Compound image 
CI-1040
Protein Kinase
MAP2K1
Kd = 120
IC50 = 46
Kinase set
100 nM
Compound EUbOPEN ID
EUB0000599a
SMILES
C1CC1CONC(=O)C2=C(C(=C(C=C2)F)F)NC3=C(C=C(C=C3)I)Cl
InChIKey
GFMMXOIFOQCCGU-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
MEK1, MAPKK1
Mode of action
Inhibitor
Affinity biochemical assay type
Competition binding assay
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
ELISA (mouse colon 26 carcinoma cells)
Selectivity platform
Competition binding assay by Davis et.al., literature
Selectivity platform number of targets
442
Selectivity remarks
S(Kd < 300 nM) =0.0026, S(Kd < 3µM) = 0.0078
Selectivity Source Knowledge
Compound image 
CI-1040
Protein Kinase
MAP2K2
Kd = 370
Kinase set
100 nM
Compound EUbOPEN ID
EUB0000599a
SMILES
C1CC1CONC(=O)C2=C(C(=C(C=C2)F)F)NC3=C(C=C(C=C3)I)Cl
InChIKey
GFMMXOIFOQCCGU-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
MEK2
Mode of action
Inhibitor
Affinity biochemical assay type
Competition binding assay
Affinity Biochemical Source Knowledge
Selectivity platform
Competition binding assay by Davis et.al., literature
Selectivity platform number of targets
442
Selectivity remarks
S(Kd < 300 nM) =0.0026, S(Kd < 3µM) = 0.0078
Selectivity Source Knowledge
Compound image 
GSK461364
Protein Kinase
PLK1
Ki < 0.5
Kinase set
100 nM
Compound EUbOPEN ID
EUB0000603a
SMILES
CN1CCN(CC1)CC2=CC3=C(C=C2)N=CN3C4=CC(O[C@H](C)C5=C(C(F)(F)F)C=CC=C5)=C(S4)C(N)=O
InChIKey
ZHJGWYRLJUCMRT-QGZVFWFLSA-N
NCBI gene ID
UniProt ID
Mode of action
Inhibitor
Affinity biochemical assay type
Enzymatic Z'-LITE assay (Invitrogen)
Affinity Biochemical Source Knowledge
Selectivity platform
Kinase Profiler (Millipore)
Selectivity platform number of targets
262
Selectivity remarks
Screened at 10 µM, closest targets as % inhibition: PDGFRA(V561D) (96%), RPS6KA6 (92%), RPS6KA3(92%), PKN2(92%), RPS6KA1(91%), PIM1 (90%); Screened against 48 kinases (GlaxoSmithKline panel), closest target: IC50(NEK2) = 158 nM;
Selectivity Source Knowledge
Compound image 
Mps1-IN-2
Protein Kinase
TTK
Kd = 12
Kinase set
1 µM
Compound EUbOPEN ID
EUB0000608a
SMILES
OC1CCN(C2=CC(OCC)=C(NC3=NC=C(N(C)C(CCN4C5CCCC5)=O)C4=N3)C=C2)CC1
InChIKey
WELBJLUKWAJOQV-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
MPS1, MPS1L1, CT96, MPH1
Mode of action
Inhibitor
Affinity biochemical assay type
Ambit Competition binding assay
Affinity Biochemical Source Knowledge
Selectivity platform
Ambit kinase binding assay panel
Selectivity platform number of targets
352
Selectivity remarks
Screened at 10 µM, closest targets as % of contr.: PLK1(4.3%); In vitro follow up of closest targets: IC50(GAK) = 140 nM, IC50(PLK1/3/4) = 61/ 1600/ 3100 nM, IC50(STK33) = 5000 nM
Selectivity Source Knowledge
Compound image 
Mps1-IN-2
Protein Kinase
PLK1
Kd = 61
Kinase set
1 µM
Compound EUbOPEN ID
EUB0000608a
SMILES
OC1CCN(C2=CC(OCC)=C(NC3=NC=C(N(C)C(CCN4C5CCCC5)=O)C4=N3)C=C2)CC1
InChIKey
WELBJLUKWAJOQV-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Mode of action
Inhibitor
Affinity biochemical assay type
Ambit Competition binding assay
Affinity Biochemical Source Knowledge
Selectivity platform
Ambit kinase binding assay panel
Selectivity platform number of targets
352
Selectivity remarks
Screened at 10 µM, closest targets as % of contr.: PLK1(4.3%); In vitro follow up of closest targets: IC50(GAK) = 140 nM, IC50(PLK1/3/4) = 61/ 1600/ 3100 nM, IC50(STK33) = 5000 nM
Selectivity Source Knowledge
Compound image 
Mps1-IN-1
Protein Kinase
TTK
Kd = 27
Kinase set
1 µM
Compound EUbOPEN ID
EUB0000609a
SMILES
COC1=C(NC2=CC(NC3=CC=CC=C3S(C(C)C)(=O)=O)=C(C=CN4)C4=N2)C=CC(N5CCC(O)CC5)=C1
InChIKey
NMJMRSQTDLRCRQ-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
MPS1, MPS1L1, CT96, MPH1
Mode of action
Inhibitor
Affinity biochemical assay type
Ambit Competition binding assay
Affinity Biochemical Source Knowledge
Selectivity platform
Ambit kinase binding assay panel
Selectivity platform number of targets
352
Selectivity remarks
Screened at 10 µM, closest targets as % of contr.: ALK(8.9%), CLK1(7.3%), ERK2(6%), GAK(5.4%), IGF1R(0.9%), INSR(0.15%), INSRR(2%), JNK1(5.2%), LTK(1.2%), MEK4(6.2%), PRK2(0.1%), PTK2B(0.5%), RIOK3(0.5%); In vitro follow up of closest targets: IC50(ALK) = 21 nM, IC50(CLK1) = 1900 nM, IC50(ERK2) = 2900 nM, IC50(FAK) = 440 nM, IC50(GAK) = 1100 nM, IC50(IGF1R) = 750 nM, IC50(INSR) = 470 nM, IC50(INSRR) = 1200 nM, IC50(LTK) = 29 nM, IC50(PYK2) = 280 nM, IC50(TNK1) = 2600 nM, IC50(TNK2) = 3100 nM;
Selectivity Source Knowledge
Compound image 
CX-4945
Protein Kinase
CSNK2A1
IC50 = 1
Kinase set
1 µM
Compound EUbOPEN ID
EUB0000613a
SMILES
OC(C1=CC2=NC(NC3=CC(Cl)=CC=C3)=C(C=CN=C4)C4=C2C=C1)=O
InChIKey
MUOKSQABCJCOPU-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
Cka1, Cka2
Mode of action
Inhibitor
Affinity biochemical assay type
Radiometric activity assay (15 µM ATP)
Affinity Biochemical Source Knowledge
Selectivity platform
Kinase panel (Millipore)
Selectivity platform number of targets
238
Selectivity remarks
Screened at 0.5 µM, closest targets: IC50(DAPK3) = 17 nM, IC50(FLT3) = 35 nM, IC50(TBK1) = 35 nM, IC50(CLK3) = 41 nM, IC50(HIPK3) = 45 nM, IC50(PIM1) = 46 nM, IC50(CDK1/cyclinB) = 56 nM (radiometric filter-binding assay, conc. ATP = Km); Follow-up in cellular assays: IC50(FLT3/ PIM1/ CDK1) >10 µM;
Selectivity Source Knowledge
Compound image 
Linsitinib
Protein Kinase
IGF1R
IC50 = 35
IC50 = 24
Kinase set
1 µM
Compound EUbOPEN ID
EUB0000614a
SMILES
NC1=NC=CN2C1=C(C3=CC(N=C(C4=CC=CC=C4)C=C5)=C5C=C3)N=C2[C@H]6C[C@@](C)(O)C6
InChIKey
PKCDDUHJAFVJJB-VLZXCDOPSA-N
NCBI gene ID
UniProt ID
Synonyms
JTK13, CD221, IGFIR, MGC18216, IGFR
Mode of action
Inhibitor
Affinity biochemical assay type
Radiometric kinase assay (100 µM ATP)
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
Immunoblot (IGF-1-dependent autophosphorylation of IGF-1R in LISN cells)
Selectivity platform
Kinobeads, literature
Selectivity platform number of targets
224
Selectivity remarks
Screened at 1 µM, closest targets as % inhibition: MAP4K2 (99%), MET(86%); Screened also with ProfilerPro® Kinase Selectivity Assay Kit (Caliper Life Sciences) at 1 µM, 88 kinases <50% inhibition, clean in IC50 follow up assay: IC50 >10 µM (PMID: 21425998)
Selectivity Source Knowledge
Compound image 
Linsitinib
Protein Kinase
INSR
IC50 = 75
Kinase set
1 µM
Compound EUbOPEN ID
EUB0000614a
SMILES
NC1=NC=CN2C1=C(C3=CC(N=C(C4=CC=CC=C4)C=C5)=C5C=C3)N=C2[C@H]6C[C@@](C)(O)C6
InChIKey
PKCDDUHJAFVJJB-VLZXCDOPSA-N
NCBI gene ID
UniProt ID
Synonyms
CD220
Mode of action
Inhibitor
Affinity biochemical assay type
Radiometric kinase assay (100 µM ATP)
Affinity Biochemical Source Knowledge
Selectivity platform
Kinobeads, literature
Selectivity platform number of targets
224
Selectivity remarks
Screened at 1 µM, closest targets as % inhibition: MAP4K2 (99%), MET(86%); Screened also with ProfilerPro® Kinase Selectivity Assay Kit (Caliper Life Sciences) at 1 µM, 88 kinases <50% inhibition, clean in IC50 follow up assay: IC50 >10 µM (PMID: 21425998)
Selectivity Source Knowledge
Compound image 
Linsitinib
Protein Kinase
INSRR
IC50 = 75
Kinase set
1 µM
Compound EUbOPEN ID
EUB0000614a
SMILES
NC1=NC=CN2C1=C(C3=CC(N=C(C4=CC=CC=C4)C=C5)=C5C=C3)N=C2[C@H]6C[C@@](C)(O)C6
InChIKey
PKCDDUHJAFVJJB-VLZXCDOPSA-N
NCBI gene ID
UniProt ID
Synonyms
IRR
Mode of action
Inhibitor
Affinity biochemical assay type
Radiometric kinase assay (100 µM ATP)
Affinity Biochemical Source Knowledge
Selectivity platform
Kinobeads, literature
Selectivity platform number of targets
224
Selectivity remarks
Screened at 1 µM, closest targets as % inhibition: MAP4K2 (99%), MET(86%); Screened also with ProfilerPro® Kinase Selectivity Assay Kit (Caliper Life Sciences) at 1 µM, 88 kinases <50% inhibition, clean in IC50 follow up assay: IC50 >10 µM (PMID: 21425998)
Selectivity Source Knowledge
Compound image 
PF-04217903
Protein Kinase
MET
Ki = 4.8
IC50 = 5
Kinase set
1 µM
Compound EUbOPEN ID
EUB0000619a
SMILES
OCCN(N=C1)C=C1C2=CN=C3C(N(CC4=CC=C5C(C=CC=N5)=C4)N=N3)=N2
InChIKey
PDMUGYOXRHVNMO-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
HGFR, RCCP2, DFNB97
Mode of action
Inhibitor
Affinity biochemical assay type
Continuous-coupled spectrophotometric assay (detecting ADP production)
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
ELISA (c-Met phosphorylation in HT29 cells)
Selectivity platform
Kinase panel (Invitrogen)
Selectivity platform number of targets
125
Selectivity remarks
Screened at 1 µM and 10 µM, no target >50% inhibition; Screened in Dundee panel (51 kinases at 10 µM), no target >50% inhibition; Screened in Pfizer panel (48 kinases), no target >50% inhibition; Screened in Millipore panel (105 kinases at 1 µM an 10 µM), closest targets: ALK, EpHB2, INSR; IC50 follow-up showed all IC50 >10 µM; PF-04217903 is >1000-fold selective for c-Met;
Selectivity Source Knowledge
Compound image 
AIM 100
Protein Kinase
TNK2
IC50 = 21.58
Kinase set
100 nM
Compound EUbOPEN ID
EUB0000620a
SMILES
C1(NC[C@H]2OCCC2)=C(C(C3=CC=CC=C3)=C(C4=CC=CC=C4)O5)C5=NC=N1
InChIKey
XNFHHOXCDUAYSR-SFHVURJKSA-N
NCBI gene ID
UniProt ID
Synonyms
p21cdc42Hs, ACK, ACK1
Mode of action
Inhibitor
Affinity biochemical assay type
Radiometric enzyme assay (HotSpot assay, Reaction Biology)
Affinity Biochemical Source Knowledge
Selectivity platform
Kinase panel (DSF assay)
Selectivity platform number of targets
100
Selectivity remarks
Screened at 20 µM, closest targets with dTm >5K: dTm(STK6) = 8.23K, dTm(STK10) = 7.64 K, dTm(PLK4) = 5.33 K, further targets dTm 3-5K: dTm(BMX) = 4.14 K, dTm(ULK3) = 4.13 K, dTm(SLK) = 3.82 K, dTm(AURKB) = 3.81 K, dTm(ABL1) = 3.52 K; HotSpot assay (Reaction Biology), 30 targets, in-vitro potencies of closest targets: IC50(ABL1) = 705.9 nM, IC50(BTK) = 871.7 nM, IC50(LCK) = 432.3 nM, IC50(LYN) = 346.7 nM, https://pubmed.ncbi.nlm.nih.gov/22566699/;
Selectivity Source Knowledge
Compound image 
AZD 6482
Protein Kinase
PIK3CB
IC50 = 10
Kinase set
1 µM
Compound EUbOPEN ID
EUB0000621a
SMILES
CC1=CN2C(=O)C=C(N=C2C(=C1)[C@@H](C)NC3=CC=CC=C3C(=O)O)N4CCOCC4
InChIKey
IRTDIKMSKMREGO-OAHLLOKOSA-N
NCBI gene ID
UniProt ID
Mode of action
Inhibitor
Affinity biochemical assay type
Alphascreen assay
Affinity Biochemical Source Knowledge
Selectivity platform
Kinase panel (DSF assay)
Selectivity platform number of targets
100
Selectivity remarks
Screened at 20 µM, closest targets with dTm >1K: dTm(MARK3) = 1.76 K, dTm(MST4) = 1.33 K, dTm(GSK3B) = 1.33 K; Screened against 88 targets in functional assays (AstraZeneca): >200-fold with exception of PIK3 isoforms, PIK3CA (86-fold) and PIK3CG (108-fold), as well as DNA-PK (42-fold), IC50(PIK3CA) = 0.87 µM (AlphaScreen), IC50(PIK3CG) = 1.09 µM (AlphaScreen), IC50(DNA-PK) = 0.42 µM (ELISA), https://pubmed.ncbi.nlm.nih.gov/22906130/;
Selectivity Source Knowledge
Compound image 
AZD 6482
Protein Kinase
PIK3CD
IC50 = 80
Kinase set
1 µM
Compound EUbOPEN ID
EUB0000621a
SMILES
CC1=CN2C(=O)C=C(N=C2C(=C1)[C@@H](C)NC3=CC=CC=C3C(=O)O)N4CCOCC4
InChIKey
IRTDIKMSKMREGO-OAHLLOKOSA-N
NCBI gene ID
UniProt ID
Synonyms
p110D
Mode of action
Inhibitor
Affinity biochemical assay type
Alphascreen assay
Affinity Biochemical Source Knowledge
Selectivity platform
Kinase panel (DSF assay)
Selectivity platform number of targets
100
Selectivity remarks
Screened at 20 µM, closest targets with dTm >1K: dTm(MARK3) = 1.76 K, dTm(MST4) = 1.33 K, dTm(GSK3B) = 1.33 K; Screened against 88 targets in functional assays (AstraZeneca): >200-fold with exception of PIK3 isoforms, PIK3CA (86-fold) and PIK3CG (108-fold), as well as DNA-PK (42-fold), IC50(PIK3CA) = 0.87 µM (AlphaScreen), IC50(PIK3CG) = 1.09 µM (AlphaScreen), IC50(DNA-PK) = 0.42 µM (ELISA), https://pubmed.ncbi.nlm.nih.gov/22906130/;
Selectivity Source Knowledge
Compound image 
GSK2578215A
Protein Kinase
LRRK2
IC50 = 10.9
Kinase set
1 µM
Compound EUbOPEN ID
EUB0000622a
SMILES
O=C(C1=C(OCC2=CC=CC=C2)C=CC(C3=CC(F)=NC=C3)=C1)NC4=CC=CN=C4
InChIKey
WCIGMFCFPXZRMQ-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
ROCO2, DKFZp434H2111, FLJ45829, RIPK7
Mode of action
Inhibitor
Affinity biochemical assay type
HTRF assay
Affinity Biochemical Source Knowledge
Selectivity platform
KinomScan Ambit
Selectivity platform number of targets
329
Selectivity remarks
Screened at 10 µM, Ambit score <10 at 10 µM, off-targets with PoC <50%
Selectivity Source Knowledge
Compound image 
ASK1 Inhibitor 10
Protein Kinase
MAP3K5
IC50 = 14
Kinase set
1 µM
Compound EUbOPEN ID
EUB0000623aCl
SMILES
O=C(C1=CC=C(C(C)(C)C)C=C1)NC2=CN3C=C(N4C=CN=C4)C=CC3=N2.Cl.Cl
InChIKey
IKKLFEDUYFZNBO-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
MAPKKK5, ASK1
Mode of action
Inhibitor
Affinity biochemical assay type
Enzymatic inhibition assay
Affinity Biochemical Source Knowledge
Selectivity platform
Kinase panel (Invitrogen, enzymatic assay)
Selectivity platform number of targets
195
Selectivity remarks
Screened at 1 µM, in-vitro potency of closest targets: IC50(ASK2)= 510 nM, IC50(MEKK1) >10 µM, IC50(TAK1) >10 µM, IC50(IKKB) >10 µM, IC50(ERK1) >10 µM, IC50(JNK1) >10µM, IC50(MAPK14) >10 µM, IC50(GSK3B) >10 µM, IC50(PRKCT) >10 µM; Screened against 12 kinases (Invitrogen, enzymatic assays), in-vitro potency of closest targets: IC50(CDK2) = 0.158 µM, IC50(EGFR) <20 µM, IC50(EPHA3) <20 µM, IC50(ERBB4) <20 µM, IC50(GSK3B) = 0.832 µM, IC50(ITK) = 5.5 µM, IC50(MER) = 6.5 µM, IC50(MAPK14) <20 µM, IC50(PRKAA1) = 13.8 µM, IC50(RET) = 11.5 µM, IC50(ROCK1) = 4.9 µM, IC50(RON) <20 µM, https://pubmed.ncbi.nlm.nih.gov/28291695/; Screened at 20 µM against 100 kinases, DSF panel, closest targets with dTm >5 K: dTm(MAP3K5) = 12.41 K, dTm(CLK1) = 5.46 K, closest targets with dTm 3-5 K: dTm(CAMKK2) = 4.55 K, dTm(RPS6KA5) = 3.13 K, in-house data SGC Frankfurt;
Selectivity Source Knowledge
Compound image 
BMS 777607
Protein Kinase
MST1R
IC50 = 1.8
Kinase set
1 µM
Compound EUbOPEN ID
EUB0000624a
SMILES
CCOC1=C(C(=O)N(C=C1)C2=CC=C(C=C2)F)C(=O)NC3=CC(=C(C=C3)OC4=C(C(=NC=C4)N)Cl)F
InChIKey
VNBRGSXVFBYQNN-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
CDw136, CD136
Mode of action
Inhibitor
Affinity biochemical assay type
Enzyme activity assay
Affinity Biochemical Source Knowledge
Selectivity platform
Ambit kinome screening platform
Selectivity platform number of targets
200
Selectivity remarks
Screened at 10 µM (Ambit phage-based competition binding assay), closest targets as % of contr.: FRK (0.55%), FLT4 (0.85%), FLT3 (0.05%), EPHA3 (0.1%), CSF1R (0.8%), BLK (0.35%), STK10 (0%), AURKB (0%), KIT (0%), LCK (0.2%), MUSK (0%), PDGFRA/B (0.2/0.7%), TEK (0.15%), NTRK1/2/3 (0.55/ 0.1/ 0.1%), KDR (0.2%), MKNK2 (0.75%); In vitro follow up of closest targets: IC50(MERTK) = 14 nM, IC50(FLT3) = 16 nM, IC50(AURKB) = 78 nM, IC50(LCK) = 120 nM, IC50(KDR) = 180 nM, IC50(NTRK1/2) = 290/ 190 nM, IC50(PKA) = 550, IC50 >2 µM for: BTK, CDK2E, EGFR, GSK3B, IGFR1R, IKK1/2, INSR, JAK2, MAPKAPK2, MAPK14, PIM1, PLK1/3
Selectivity Source Knowledge
Compound image 
BMS 777607
Protein Kinase
MET
IC50 = 3.9
Kinase set
1 µM
Compound EUbOPEN ID
EUB0000624a
SMILES
CCOC1=C(C(=O)N(C=C1)C2=CC=C(C=C2)F)C(=O)NC3=CC(=C(C=C3)OC4=C(C(=NC=C4)N)Cl)F
InChIKey
VNBRGSXVFBYQNN-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
HGFR, RCCP2, DFNB97
Mode of action
Inhibitor
Affinity biochemical assay type
Enzyme activity assay
Affinity Biochemical Source Knowledge
Selectivity platform
Ambit kinome screening platform
Selectivity platform number of targets
200
Selectivity remarks
Screened at 10 µM (Ambit phage-based competition binding assay), closest targets as % of contr.: FRK (0.55%), FLT4 (0.85%), FLT3 (0.05%), EPHA3 (0.1%), CSF1R (0.8%), BLK (0.35%), STK10 (0%), AURKB (0%), KIT (0%), LCK (0.2%), MUSK (0%), PDGFRA/B (0.2/0.7%), TEK (0.15%), NTRK1/2/3 (0.55/ 0.1/ 0.1%), KDR (0.2%), MKNK2 (0.75%); In vitro follow up of closest targets: IC50(MERTK) = 14 nM, IC50(FLT3) = 16 nM, IC50(AURKB) = 78 nM, IC50(LCK) = 120 nM, IC50(KDR) = 180 nM, IC50(NTRK1/2) = 290/ 190 nM, IC50(PKA) = 550, IC50 >2 µM for: BTK, CDK2E, EGFR, GSK3B, IGFR1R, IKK1/2, INSR, JAK2, MAPKAPK2, MAPK14, PIM1, PLK1/3
Selectivity Source Knowledge
Compound image 
BMS 777607
Protein Kinase
TYRO3
IC50 = 4.3
Kinase set
1 µM
Compound EUbOPEN ID
EUB0000624a
SMILES
CCOC1=C(C(=O)N(C=C1)C2=CC=C(C=C2)F)C(=O)NC3=CC(=C(C=C3)OC4=C(C(=NC=C4)N)Cl)F
InChIKey
VNBRGSXVFBYQNN-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
Dtk, Brt, Tif, Sky, Etk-2, Rek
Mode of action
Inhibitor
Affinity biochemical assay type
Enzyme activity assay
Affinity Biochemical Source Knowledge
Selectivity platform
Ambit kinome screening platform
Selectivity platform number of targets
200
Selectivity remarks
Screened at 10 µM (Ambit phage-based competition binding assay), closest targets as % of contr.: FRK (0.55%), FLT4 (0.85%), FLT3 (0.05%), EPHA3 (0.1%), CSF1R (0.8%), BLK (0.35%), STK10 (0%), AURKB (0%), KIT (0%), LCK (0.2%), MUSK (0%), PDGFRA/B (0.2/0.7%), TEK (0.15%), NTRK1/2/3 (0.55/ 0.1/ 0.1%), KDR (0.2%), MKNK2 (0.75%); In vitro follow up of closest targets: IC50(MERTK) = 14 nM, IC50(FLT3) = 16 nM, IC50(AURKB) = 78 nM, IC50(LCK) = 120 nM, IC50(KDR) = 180 nM, IC50(NTRK1/2) = 290/ 190 nM, IC50(PKA) = 550, IC50 >2 µM for: BTK, CDK2E, EGFR, GSK3B, IGFR1R, IKK1/2, INSR, JAK2, MAPKAPK2, MAPK14, PIM1, PLK1/3
Selectivity Source Knowledge
Compound image 
BMS 777607
Protein Kinase
AXL
IC50 = 1.1
Kinase set
1 µM
Compound EUbOPEN ID
EUB0000624a
SMILES
CCOC1=C(C(=O)N(C=C1)C2=CC=C(C=C2)F)C(=O)NC3=CC(=C(C=C3)OC4=C(C(=NC=C4)N)Cl)F
InChIKey
VNBRGSXVFBYQNN-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
UFO, JTK11, Tyro7, ARK
Mode of action
Inhibitor
Affinity biochemical assay type
Enzyme activity assay
Affinity Biochemical Source Knowledge
Selectivity platform
Ambit kinome screening platform
Selectivity platform number of targets
200
Selectivity remarks
Screened at 10 µM (Ambit phage-based competition binding assay), closest targets as % of contr.: FRK (0.55%), FLT4 (0.85%), FLT3 (0.05%), EPHA3 (0.1%), CSF1R (0.8%), BLK (0.35%), STK10 (0%), AURKB (0%), KIT (0%), LCK (0.2%), MUSK (0%), PDGFRA/B (0.2/0.7%), TEK (0.15%), NTRK1/2/3 (0.55/ 0.1/ 0.1%), KDR (0.2%), MKNK2 (0.75%); In vitro follow up of closest targets: IC50(MERTK) = 14 nM, IC50(FLT3) = 16 nM, IC50(AURKB) = 78 nM, IC50(LCK) = 120 nM, IC50(KDR) = 180 nM, IC50(NTRK1/2) = 290/ 190 nM, IC50(PKA) = 550, IC50 >2 µM for: BTK, CDK2E, EGFR, GSK3B, IGFR1R, IKK1/2, INSR, JAK2, MAPKAPK2, MAPK14, PIM1, PLK1/3
Selectivity Source Knowledge
Compound image 
Filgotinib
Protein Kinase
JAK1@kinase 1
IC50 = 10
Kinase set
1 µM
Compound EUbOPEN ID
EUB0000626a
SMILES
C1CC1C(=O)NC2=NN3C(=N2)C=CC=C3C4=CC=C(C=C4)CN5CCS(=O)(=O)CC5
InChIKey
RIJLVEAXPNLDTC-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
JAK1A, JTK3
Mode of action
Inhibitor
Affinity biochemical assay type
Radiometric kinase assay (incorporation of phosphate into an ULight-JAK-1(Tyr1023) peptide using an europium-labeled anti-phosphotyrosine Ab)
Affinity Biochemical Source Knowledge
Selectivity platform
Radioactive biochemical assays (Millipore and Galapagos N.V.)
Selectivity platform number of targets
175
Selectivity remarks
Screened at 1 µM, closest targets: IC50( FLT3) = 338 nM, IC50(FLT4) = 274 nM, IC50(CSF1R) = 488.9 nM, IC50(TYK2) = 116 nM
Selectivity Source Knowledge
Compound image 
Filgotinib
Protein Kinase
JAK2@kinase 1
IC50 = 28
Kinase set
1 µM
Compound EUbOPEN ID
EUB0000626a
SMILES
C1CC1C(=O)NC2=NN3C(=N2)C=CC=C3C4=CC=C(C=C4)CN5CCS(=O)(=O)CC5
InChIKey
RIJLVEAXPNLDTC-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
JTK10
Mode of action
Inhibitor
Affinity biochemical assay type
Radiometric kinase assay (incorporation of phosphate into an ULight-JAK-1(Tyr1023) peptide using an europium-labeled anti-phosphotyrosine Ab)
Affinity Biochemical Source Knowledge
Selectivity platform
Radioactive biochemical assays (Millipore and Galapagos N.V.)
Selectivity platform number of targets
175
Selectivity remarks
Screened at 1 µM, closest targets: IC50( FLT3) = 338 nM, IC50(FLT4) = 274 nM, IC50(CSF1R) = 488.9 nM, IC50(TYK2) = 116 nM
Selectivity Source Knowledge
Compound image 
WZ4003
Protein Kinase
NUAK1
IC50 = 20
Kinase set
1 µM
Compound EUbOPEN ID
EUB0000627a
SMILES
CN1CCN(C2=CC=C(NC3=NC=C(Cl)C(OC4=CC=CC(NC(CC)=O)=C4)=N3)C(OC)=C2)CC1
InChIKey
SDGJBAUIGHSMRI-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
ARK5, KIAA0537
Mode of action
Inhibitor
Affinity biochemical assay type
Radiometric kinase assay
Affinity Biochemical Source Knowledge
Selectivity platform
Kinase panel (international centre for protein kinase profiling)
Selectivity platform number of targets
140
Selectivity remarks
Screened at1 µM, closest targets as % of kinase activity.: STK33 (33%), ULK2 (37%)
Selectivity Source Knowledge
Compound image 
WZ4003
Protein Kinase
NUAK2
IC50 = 100
Kinase set
1 µM
Compound EUbOPEN ID
EUB0000627a
SMILES
CN1CCN(C2=CC=C(NC3=NC=C(Cl)C(OC4=CC=CC(NC(CC)=O)=C4)=N3)C(OC)=C2)CC1
InChIKey
SDGJBAUIGHSMRI-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
SNARK, FLJ90349
Mode of action
Inhibitor
Affinity biochemical assay type
Radiometric kinase assay
Affinity Biochemical Source Knowledge
Selectivity platform
Kinase panel (international centre for protein kinase profiling)
Selectivity platform number of targets
140
Selectivity remarks
Screened at1 µM, closest targets as % of kinase activity.: STK33 (33%), ULK2 (37%)
Selectivity Source Knowledge
Compound image 
GNE-9605
Protein Kinase
LRRK2
Ki = 2
IC50 = 19
Kinase set
100 nM
Compound EUbOPEN ID
EUB0000629a
SMILES
CNC1=C(C(F)(F)F)C=NC(NC2=C(Cl)N([C@H]3CCN(C4COC4)C[C@@H]3F)N=C2)=N1
InChIKey
PUXPEQJKNAWNQA-AAEUAGOBSA-N
NCBI gene ID
UniProt ID
Synonyms
ROCO2, DKFZp434H2111, FLJ45829, RIPK7
Mode of action
Inhibitor
Affinity biochemical assay type
Biochemical assay
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
Cellular assay (LRRK2 phosphorylation)
Selectivity platform
KinomeScan (Invitrogen)
Selectivity platform number of targets
178
Selectivity remarks
Screened at 0.1 µM, closest targets with PoC <50%, TAK1-TAB1
Selectivity Source Knowledge
Compound image 
Vps34-IN-1
lipid-kinase
PIK3C3
IC50 = 25
Kinase set
1 µM
Compound EUbOPEN ID
EUB0000631a
SMILES
OC(C)(C)CNC1=NC(CC2CC2)=C(C3=CC=NC(NC4=CC=NC(Cl)=C4)=N3)C=N1
InChIKey
AWNXKZVIZARMME-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
Vps34
Mode of action
Inhibitor
Affinity biochemical assay type
Radioactive liposome kinase assay
Affinity Biochemical Source Knowledge
Selectivity platform
Kinase panel (ProQinase)
Selectivity platform number of targets
300
Selectivity remarks
Screened at 1 µM, >1000-fold selective against other targets; Screened in Dundee panel against 140 kinases and 19 lipid kinases at 1 µM, >1000-fold selective; Screened in AstraZeneca panel against 8 lipid kinases, closest target: IC50(PIP5K1C) = 382 µM, IC50(PI4K3B) = 1.069 µM, IC50(PI3Kd) = 1.896 µM, others >2 µM; Screened in ProQuinase panel against 13 lipid kinases at 1 µM, closest targets: IC50(PIP5K1A) = 4.93 µM, IC50(PIP5K1C) = 3.37 µM;
Selectivity Source Knowledge
Compound image 
GSK872
Protein Kinase
RIPK3
IC50 = 1.3
Kinase set
1 µM
Compound EUbOPEN ID
EUB0000632a
SMILES
CC(C)S(C1=CC(C(NC2=CC=C(SC=N3)C3=C2)=CC=N4)=C4C=C1)(=O)=O
InChIKey
ZCDBTQNFAPKACC-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
RIP3
Mode of action
Inhibitor
Affinity biochemical assay type
ADP-Glo assay
Affinity Biochemical Source Knowledge
Selectivity platform
HotSpot assay platform (Reaction Biology)
Selectivity platform number of targets
300
Selectivity remarks
Screened at 1 µM, closest targets as % of contr.: ABL (12%), BRK (13%), FYN (18%), KDR (17%)
Selectivity Source Knowledge
Compound image 
BAY 12-17389
Protein Kinase
TTK
IC50 = 0.63
Kinase set
1 µM
Compound EUbOPEN ID
EUB0000634a
SMILES
CC1=C(C=CC(=C1)C2=CN=C3N2N=C(C=C3NCCC(F)(F)F)OC4=C(C(=C(C=C4)OC)F)F)C(=O)NC5CC5
InChIKey
WNEILUNVMHVMPH-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
MPS1, MPS1L1, CT96, MPH1
Mode of action
Inhibitor
Affinity biochemical assay type
TR-FRET-based in vitro kinase assays
Affinity Biochemical Source Knowledge
Selectivity platform
KinomeScan (DiscoverX)
Selectivity platform number of targets
395
Selectivity remarks
Screened at 1 µM, closest targets as % of contr.: JNK2(4%), KIT(2%), PDGFRB(0%)
Selectivity Source Knowledge
Compound image 
CCT245737
Protein Kinase
CHEK1
IC50 = 1.3
Kinase set
100 nM
Compound EUbOPEN ID
EUB0000636a
SMILES
FC(F)(F)C(C=N1)=C(NC[C@@H]2OCCNC2)C=C1NC3=CN=C(C#N)C=N3
InChIKey
YBYYWUUUGCNAHQ-LLVKDONJSA-N
NCBI gene ID
UniProt ID
Synonyms
CHK1
Mode of action
Inhibitor
Affinity biochemical assay type
Microfluid assay (CALIPER)
Affinity Biochemical Source Knowledge
Selectivity platform
Kinase panel (Dundee)
Selectivity platform number of targets
124
Selectivity remarks
Screened at 10 µM, closest targets: IC50(MAPK15) = 130 nM, IC50(RPS6KA3) = 361 nM, IC50(RPS6KA2) = 362 nM; IC50(FLT3) = 582 nM, IC50(NUAK1) = 711 nM, IC50(CLK2) = 1370 nM (Z’-Lyte assay)
Selectivity Source Knowledge
Compound image 
BAY1125976
Protein Kinase
AKT1
IC50 = 5.2
IC50 = 0.9
Kinase set
100 nM
Compound EUbOPEN ID
EUB0000637a
SMILES
C1CC(C1)(C2=CC=C(C=C2)C3=C(N4C(=N3)C=CC(=N4)C(=O)N)C5=CC=CC=C5)N
InChIKey
JBGYKRAZYDNCNV-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
RAC, PKB, PRKBA, AKT, RAC-alpha
Mode of action
Allosteric Inhibitor
Affinity biochemical assay type
TR-FRET-based in vitro kinase assays (10 µM ATP)
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
TR-FRET assay (inhibition of AKT1-T308 phosphorylation in KPL-4 cells)
Selectivity platform
KinomeScan (DiscoverX)
Selectivity platform number of targets
468
Selectivity remarks
Screened at 10 µM, follow-up Kds and IC50s of closest targets: Kd(FLT1,D835Y) = 210 nM, Kd(CKL1) = 310 nM, Kd(MKNK2) = 330 nM, IC50(AKT3) = 427 nM.
Selectivity Source Knowledge
Compound image 
BAY1125976
Protein Kinase
AKT2
IC50 = 18
Kinase set
100 nM
Compound EUbOPEN ID
EUB0000637a
SMILES
C1CC(C1)(C2=CC=C(C=C2)C3=C(N4C(=N3)C=CC(=N4)C(=O)N)C5=CC=CC=C5)N
InChIKey
JBGYKRAZYDNCNV-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
PKBb
Mode of action
Allosteric Inhibitor
Affinity biochemical assay type
TR-FRET-based in vitro kinase assays (10 µM ATP)
Affinity Biochemical Source Knowledge
Selectivity platform
KinomeScan (DiscoverX)
Selectivity platform number of targets
468
Selectivity remarks
Screened at 10 µM, follow-up Kds and IC50s of closest targets: Kd(FLT1,D835Y) = 210 nM, Kd(CKL1) = 310 nM, Kd(MKNK2) = 330 nM, IC50(AKT3) = 427 nM.
Selectivity Source Knowledge
Compound image 
Acalabrutinib
Protein Kinase
BTK
IC50 = 5.1
Kinase set
1 µM
Compound EUbOPEN ID
EUB0000638a
SMILES
O=C(NC1=CC=CC=N1)C(C=C2)=CC=C2C3=C(C(N)=NC=C4)N4C([C@@H]5CCCN5C(C#CC)=O)=N3
InChIKey
WDENQIQQYWYTPO-IBGZPJMESA-N
NCBI gene ID
UniProt ID
Synonyms
ATK, XLA, PSCTK1
Mode of action
Covalent inhibitor
Affinity biochemical assay type
IMAP (immobilized metal ion affinity-based fluorescence polarization) assay
Affinity Biochemical Source Knowledge
Selectivity platform
KinomeScan (DiscoverX)
Selectivity platform number of targets
395
Selectivity remarks
Screened at 1 µM, closest targets as % of contr.: ERBB2 (2.1%), ERBB4 (4.3%), TEC (6.4%); Inhibits kinases containing conserved cystein residue: IC50(BMX) = 46 nM, IC50(ERBB4) = 16 nM, IC50(TEC) = 93 nM, IC50(TXK) = 368 nM, IC50(ERBB2) = 1000 nM (Z’-LYTE assay), PMID: 26641137;
Selectivity Source Knowledge
Compound image 
PF-06650833
Protein Kinase
IRAK4
IC50 = 0.2
IC50 = 0.29
Kinase set
100 nM
Compound EUbOPEN ID
EUB0000639a
SMILES
COC(C(C(N)=O)=C1)=CC2=C1C=CN=C2OC[C@H]3NC([C@@H](F)[C@H]3CC)=O
InChIKey
JKDGKIBAOAFRPJ-ZBINZKHDSA-N
NCBI gene ID
UniProt ID
Synonyms
NY-REN-64
Mode of action
Inhibitor
Affinity biochemical assay type
Dissociation-Enhanced Lanthanide Fluorescent Immunoassay
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
NanoBRET assay (in HEK293T cells)
Affinity on-target cellular source knowledge
Selectivity platform
Invitrogen panel (inhibition)
Selectivity platform number of targets
278
Selectivity remarks
Screened at 200 nM, closest targets with >90% inhibition: IRAK1, targets with >70% inhibition: MNK2, LRRK2, CLK4, CK1g; Screened in KiNativ kinome screen (ActivX) in THP1 cell lysates at 10, 50, 200, 1000, and 5000 nM against 270 kinases; closest targets >50% inhibition at 200 nM: CSNK1G2, IRAK3, PIPK2C, CKSNK1D/E, https://pubmed.ncbi.nlm.nih.gov/28498658/; Cellular potency (NanoBRET assay in HEK293T cells): IC50(CSNK1G2) = 7.1 µM (SGC-Frankfurt, in-house data)
Selectivity Source Knowledge
Compound image 
LOXO-195
Protein Kinase
NTRK1
IC50 = 3.7
IC50 = 1.6
Kinase set
1 µM
Compound EUbOPEN ID
EUB0000640a
SMILES
O=C(N[C@H](C)CCC1=NC=C(F)C=C1[C@]2([H])N3CCC2)C4=C5N(N=C4)C=CC3=N5
InChIKey
OEBIHOVSAMBXIB-SJKOYZFVSA-N
NCBI gene ID
UniProt ID
Synonyms
TRK, TRKA, MTC
Mode of action
Inhibitor
Affinity biochemical assay type
LanthaScreenTM Eu
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
Phospho-TRKA ELISA (inhibition of NTRK1 phosphorylation in NIH 3T3 cells)
Selectivity platform
KinaseProfiler™ (Millipore)
Selectivity platform number of targets
228
Selectivity remarks
Screened at 1 µM, closest targets as % of contr.: BMX (15%), ROS1 (12%), TXK (14%), TNK2(10%)
Selectivity Source Knowledge
Compound image 
LOXO-195
Protein Kinase
NTRK2
IC50 = 1.9
Kinase set
1 µM
Compound EUbOPEN ID
EUB0000640a
SMILES
O=C(N[C@H](C)CCC1=NC=C(F)C=C1[C@]2([H])N3CCC2)C4=C5N(N=C4)C=CC3=N5
InChIKey
OEBIHOVSAMBXIB-SJKOYZFVSA-N
NCBI gene ID
UniProt ID
Synonyms
TRKB
Mode of action
Inhibitor
Affinity biochemical assay type
LanthaScreenTM Eu
Affinity Biochemical Source Knowledge
Selectivity platform
KinaseProfiler™ (Millipore)
Selectivity platform number of targets
228
Selectivity remarks
Screened at 1 µM, closest targets as % of contr.: BMX (15%), ROS1 (12%), TXK (14%), TNK2(10%)
Selectivity Source Knowledge
Compound image 
LOXO-195
Protein Kinase
NTRK3
IC50 = 1.4
IC50 = 2
Kinase set
1 µM
Compound EUbOPEN ID
EUB0000640a
SMILES
O=C(N[C@H](C)CCC1=NC=C(F)C=C1[C@]2([H])N3CCC2)C4=C5N(N=C4)C=CC3=N5
InChIKey
OEBIHOVSAMBXIB-SJKOYZFVSA-N
NCBI gene ID
UniProt ID
Synonyms
TRKC
Mode of action
Inhibitor
Affinity biochemical assay type
LanthaScreenTM Eu
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
Flow cytometry for ETV6-TRKC (inhibition of ERK phosphorylation in NIH 3T3 cells)
Selectivity platform
KinaseProfiler™ (Millipore)
Selectivity platform number of targets
228
Selectivity remarks
Screened at 1 µM, closest targets as % of contr.: BMX (15%), ROS1 (12%), TXK (14%), TNK2(10%)
Selectivity Source Knowledge
Compound image 
CC-671
Protein Kinase
TTK
IC50 = 5
Kinase set
100 nM
Compound EUbOPEN ID
EUB0000642a
SMILES
CC1=NC2=C(O1)C=C(C=C2)C3=CNC4=C3C(=NC(=N4)NC5=C(C=C(C=C5)C(=O)NC)OC)OC6CCCC6
InChIKey
CWJLAVRXVFHDSJ-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
MPS1, MPS1L1, CT96, MPH1
Mode of action
Inhibitor
Affinity biochemical assay type
LanthaScreen Eu kinase binding assay
Affinity Biochemical Source Knowledge
Selectivity platform
KinomeScan (Invitrogen)
Selectivity platform number of targets
255
Selectivity remarks
Screened at 3 µM, closest targets as % inhibition: CLK1 (99%), DYRK1A/B (94/98%), DYRK3 (95%), PHKG (96%); In vitro follow-up (Invitrogen): IC50(DYRK3) = 99 nM, IC50(DYRK1A/B) = 104/157 nM, IC50(PHKG) = 136 nM, IC50(CLK3) = 300 nM; Cellular selectivity: IC50(JNK1/2/3) = 0.68 µM, IC50(CAMKK2) = 1.10 µM, IC50(PIP4K2C) = 1.30 µM (ActivX KiNative profiling assay (in HCT-116 cell line (CRL-1619))
Selectivity Source Knowledge
Compound image 
CC-671
Protein Kinase
CLK2
IC50 = 6
IC50 = 15
Kinase set
100 nM
Compound EUbOPEN ID
EUB0000642a
SMILES
CC1=NC2=C(O1)C=C(C=C2)C3=CNC4=C3C(=NC(=N4)NC5=C(C=C(C=C5)C(=O)NC)OC)OC6CCCC6
InChIKey
CWJLAVRXVFHDSJ-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Mode of action
Inhibitor
Affinity biochemical assay type
LanthaScreen Eu kinase binding assay
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
ActivX KiNative profiling assay (in HCT-116 cell line (CRL-1619))
Selectivity platform
KinomeScan (Invitrogen)
Selectivity platform number of targets
255
Selectivity remarks
Screened at 3 µM, closest targets as % inhibition: CLK1 (99%), DYRK1A/B (94/98%), DYRK3 (95%), PHKG (96%); In vitro follow-up (Invitrogen): IC50(DYRK3) = 99 nM, IC50(DYRK1A/B) = 104/157 nM, IC50(PHKG) = 136 nM, IC50(CLK3) = 300 nM; Cellular selectivity: IC50(JNK1/2/3) = 0.68 µM, IC50(CAMKK2) = 1.10 µM, IC50(PIP4K2C) = 1.30 µM (ActivX KiNative profiling assay (in HCT-116 cell line (CRL-1619))
Selectivity Source Knowledge
Compound image 
Borussertib
Protein Kinase
AKT1
IC50 = 0.8
IC50 = 21
Kinase set
1 µM
Compound EUbOPEN ID
EUB0000645a
SMILES
C=CC(=O)Nc1ccc2[nH]c(=O)n(C3CCN(Cc4ccc(-c5nc6cc[nH]c(=O)c6cc5-c5ccccc5)cc4)CC3)c2c1
InChIKey
HXBRBOYWXDLHDC-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
RAC, PKB, PRKBA, AKT, RAC-alpha
Mode of action
Covalent-allosteric inhibitor
Affinity biochemical assay type
HTFR assay
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
NanoBRET assay (HEK293T cells)
Selectivity platform
SelectScreen® Kinase Profiling (activity based Z’LYTE® assay)
Selectivity platform number of targets
100
Selectivity remarks
Closest target: AKT3 (83% of ctrl.); Follow up in vitro activity: IC50(AKT3) = 618 nM (HTFR assay, PMID: 31584233), IC50(AKT3) = 4.3 µM (NanoBRET assay)
Selectivity Source Knowledge
Compound image 
Borussertib
Protein Kinase
AKT2
IC50 = 59
IC50 = 68
Kinase set
1 µM
Compound EUbOPEN ID
EUB0000645a
SMILES
C=CC(=O)Nc1ccc2[nH]c(=O)n(C3CCN(Cc4ccc(-c5nc6cc[nH]c(=O)c6cc5-c5ccccc5)cc4)CC3)c2c1
InChIKey
HXBRBOYWXDLHDC-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
PKBb
Mode of action
Covalent-allosteric inhibitor
Affinity biochemical assay type
HTFR assay
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
NanoBRET assay (HEK293T cells)
Selectivity platform
SelectScreen® Kinase Profiling (activity based Z’LYTE® assay)
Selectivity platform number of targets
100
Selectivity remarks
Closest target: AKT3 (83% of ctrl.); Follow up in vitro activity: IC50(AKT3) = 618 nM (HTFR assay, PMID: 31584233), IC50(AKT3) = 4.3 µM (NanoBRET assay)
Selectivity Source Knowledge
Compound image 
Zanubrutinib
Protein Kinase
BTK
IC50 = 0.3
IC50 = 1.8
Kinase set
1 µM
Compound EUbOPEN ID
EUB0000646a
SMILES
O=C(C=C)N1CCC([C@]2([H])CCNC3=C(C(N)=O)C(C4=CC=C(OC5=CC=CC=C5)C=C4)=NN32)CC1
InChIKey
RNOAOAWBMHREKO-QFIPXVFZSA-N
NCBI gene ID
UniProt ID
Synonyms
ATK, XLA, PSCTK1
Mode of action
Covalent inhibitor
Affinity biochemical assay type
33P-ATP and filter-binding assay (Reaction Biology)
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
HTRF-based assay (Cisbio; phosphorylation of BTK on Y223)
Selectivity platform
Kinase panel (Reaction Biology)
Selectivity platform number of targets
342
Selectivity remarks
Screened at 1 µM, 33P-ATP and filter-binding assay, closest target as % inhibition: BRK (99%), others >90%; In vitro potencies of closest 12 targets (33P-ATP and filter-binding assay (Reaction Biology)): IC50(ITK) = 56 nM, IC50(TEC) = 2.0 nM, IC50(JAK3) = 580 nM, IC50(EGFR) = 2.6 nM, IC50(HER2) = 530 nM, IC50(BRK) = 33 nM, IC50(FGR) = 155 nM, IC50(FRK/PTK5) = 379 nM, IC50(LCK) = 187 nM; Cellular selectivity: IC50(EGFR) = 606 nM (337-fold, p-EGFR HTRF assay), IC50(ITK) = 3477 nM (1932-fold, p-PLCg1 assay), IC50(TEC) = 204.7 nM (114-fold, p-TEC MSD assay), other targets not tested;
Selectivity Source Knowledge
Compound image 
Zanubrutinib
Protein Kinase
BLK
IC50 = 1.13
Kinase set
1 µM
Compound EUbOPEN ID
EUB0000646a
SMILES
O=C(C=C)N1CCC([C@]2([H])CCNC3=C(C(N)=O)C(C4=CC=C(OC5=CC=CC=C5)C=C4)=NN32)CC1
InChIKey
RNOAOAWBMHREKO-QFIPXVFZSA-N
NCBI gene ID
UniProt ID
Synonyms
MGC10442
Mode of action
Covalent inhibitor
Affinity biochemical assay type
33P-ATP and filter-binding assay (Reaction Biology)
Affinity Biochemical Source Knowledge
Selectivity platform
Kinase panel (Reaction Biology)
Selectivity platform number of targets
342
Selectivity remarks
Screened at 1 µM, 33P-ATP and filter-binding assay, closest target as % inhibition: BRK (99%), others >90%; In vitro potencies of closest 12 targets (33P-ATP and filter-binding assay (Reaction Biology)): IC50(ITK) = 56 nM, IC50(TEC) = 2.0 nM, IC50(JAK3) = 580 nM, IC50(EGFR) = 2.6 nM, IC50(HER2) = 530 nM, IC50(BRK) = 33 nM, IC50(FGR) = 155 nM, IC50(FRK/PTK5) = 379 nM, IC50(LCK) = 187 nM; Cellular selectivity: IC50(EGFR) = 606 nM (337-fold, p-EGFR HTRF assay), IC50(ITK) = 3477 nM (1932-fold, p-PLCg1 assay), IC50(TEC) = 204.7 nM (114-fold, p-TEC MSD assay), other targets not tested;
Selectivity Source Knowledge
Compound image 
Zanubrutinib
Protein Kinase
BMX
IC50 = 0.62
Kinase set
1 µM
Compound EUbOPEN ID
EUB0000646a
SMILES
O=C(C=C)N1CCC([C@]2([H])CCNC3=C(C(N)=O)C(C4=CC=C(OC5=CC=CC=C5)C=C4)=NN32)CC1
InChIKey
RNOAOAWBMHREKO-QFIPXVFZSA-N
NCBI gene ID
UniProt ID
Synonyms
ETK, PSCTK3
Mode of action
Covalent inhibitor
Affinity biochemical assay type
33P-ATP and filter-binding assay (Reaction Biology)
Affinity Biochemical Source Knowledge
Selectivity platform
Kinase panel (Reaction Biology)
Selectivity platform number of targets
342
Selectivity remarks
Screened at 1 µM, 33P-ATP and filter-binding assay, closest target as % inhibition: BRK (99%), others >90%; In vitro potencies of closest 12 targets (33P-ATP and filter-binding assay (Reaction Biology)): IC50(ITK) = 56 nM, IC50(TEC) = 2.0 nM, IC50(JAK3) = 580 nM, IC50(EGFR) = 2.6 nM, IC50(HER2) = 530 nM, IC50(BRK) = 33 nM, IC50(FGR) = 155 nM, IC50(FRK/PTK5) = 379 nM, IC50(LCK) = 187 nM; Cellular selectivity: IC50(EGFR) = 606 nM (337-fold, p-EGFR HTRF assay), IC50(ITK) = 3477 nM (1932-fold, p-PLCg1 assay), IC50(TEC) = 204.7 nM (114-fold, p-TEC MSD assay), other targets not tested;
Selectivity Source Knowledge
Compound image 
Zanubrutinib
Protein Kinase
ERBB4
IC50 = 1.58
Kinase set
1 µM
Compound EUbOPEN ID
EUB0000646a
SMILES
O=C(C=C)N1CCC([C@]2([H])CCNC3=C(C(N)=O)C(C4=CC=C(OC5=CC=CC=C5)C=C4)=NN32)CC1
InChIKey
RNOAOAWBMHREKO-QFIPXVFZSA-N
NCBI gene ID
UniProt ID
Synonyms
ALS19, HER4
Mode of action
Covalent inhibitor
Affinity biochemical assay type
33P-ATP and filter-binding assay (Reaction Biology)
Affinity Biochemical Source Knowledge
Selectivity platform
Kinase panel (Reaction Biology)
Selectivity platform number of targets
342
Selectivity remarks
Screened at 1 µM, 33P-ATP and filter-binding assay, closest target as % inhibition: BRK (99%), others >90%; In vitro potencies of closest 12 targets (33P-ATP and filter-binding assay (Reaction Biology)): IC50(ITK) = 56 nM, IC50(TEC) = 2.0 nM, IC50(JAK3) = 580 nM, IC50(EGFR) = 2.6 nM, IC50(HER2) = 530 nM, IC50(BRK) = 33 nM, IC50(FGR) = 155 nM, IC50(FRK/PTK5) = 379 nM, IC50(LCK) = 187 nM; Cellular selectivity: IC50(EGFR) = 606 nM (337-fold, p-EGFR HTRF assay), IC50(ITK) = 3477 nM (1932-fold, p-PLCg1 assay), IC50(TEC) = 204.7 nM (114-fold, p-TEC MSD assay), other targets not tested;
Selectivity Source Knowledge
Compound image 
Zanubrutinib
Protein Kinase
TXK
IC50 = 2.95
Kinase set
1 µM
Compound EUbOPEN ID
EUB0000646a
SMILES
O=C(C=C)N1CCC([C@]2([H])CCNC3=C(C(N)=O)C(C4=CC=C(OC5=CC=CC=C5)C=C4)=NN32)CC1
InChIKey
RNOAOAWBMHREKO-QFIPXVFZSA-N
NCBI gene ID
UniProt ID
Synonyms
TKL, PSCTK5, BTKL, RLK
Mode of action
Covalent inhibitor
Affinity biochemical assay type
33P-ATP and filter-binding assay (Reaction Biology)
Affinity Biochemical Source Knowledge
Selectivity platform
Kinase panel (Reaction Biology)
Selectivity platform number of targets
342
Selectivity remarks
Screened at 1 µM, 33P-ATP and filter-binding assay, closest target as % inhibition: BRK (99%), others >90%; In vitro potencies of closest 12 targets (33P-ATP and filter-binding assay (Reaction Biology)): IC50(ITK) = 56 nM, IC50(TEC) = 2.0 nM, IC50(JAK3) = 580 nM, IC50(EGFR) = 2.6 nM, IC50(HER2) = 530 nM, IC50(BRK) = 33 nM, IC50(FGR) = 155 nM, IC50(FRK/PTK5) = 379 nM, IC50(LCK) = 187 nM; Cellular selectivity: IC50(EGFR) = 606 nM (337-fold, p-EGFR HTRF assay), IC50(ITK) = 3477 nM (1932-fold, p-PLCg1 assay), IC50(TEC) = 204.7 nM (114-fold, p-TEC MSD assay), other targets not tested;
Selectivity Source Knowledge
Compound image 
BMS 509744
Protein Kinase
ITK
IC50 = 19
Kinase set
1 µM
Compound EUbOPEN ID
EUB0000651a
SMILES
COC1=CC(C)=C(SC3=CN=C(NC(C4=CC=C(CNC(C)C(C)(C)C)C=C4)=O)S3)C=C1C(N2CCN(C(C)=O)CC2)=O
InChIKey
ZHXNIYGJAOPMSO-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
EMT, PSCTK2, LYK
Mode of action
inhibitor
Affinity biochemical assay type
Enzymatic radiometric assay
Affinity Biochemical Source Knowledge
Selectivity platform
Kinase Tm panel, in-house SGC Frankfurt
Selectivity platform number of targets
100
Selectivity remarks
Tm panel screened at 20 µM, closest targets (dTm >5 K): dTm (CAMKK2) = 7.2 K, dTm(CLK1) = 6.4 K, dTm(EPHA2) = 6.2 K, dTm(NEK2) = 5.1 K, dTm(SRPK1) = 5.1 K, dTm(PHKG2) = 5.5 K, dTm(STK10) = 5.8 K, dTm(STK6) = 10.1 K, dTm(STK4) = 5.2 K, dTm(ULK3) = 5.8 K; Screened against 19 kinases (Radiometric inhibition assays): no target within 30-fold (PMID: 15323564)
Selectivity Source Knowledge
Compound image 
ZSTK474
Protein Kinase
PIK3CA
IC50 = 16
Kinase set
1 µM
Compound EUbOPEN ID
EUB0000656a
SMILES
FC(F)C1=NC(C=CC=C2)=C2N1C3=NC(N4CCOCC4)=NC(N5CCOCC5)=N3
InChIKey
HGVNLRPZOWWDKD-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
PI3K
Mode of action
Inhibitor
Affinity biochemical assay type
HTRF-based inhibition assay
Affinity Biochemical Source Knowledge
Selectivity platform
Kinase panel, literature
Selectivity platform number of targets
139
Selectivity remarks
Screened at 30 µM, highly specific
Selectivity Source Knowledge
Compound image 
ZSTK474
Protein Kinase
PIK3CB
IC50 = 44
Kinase set
1 µM
Compound EUbOPEN ID
EUB0000656a
SMILES
FC(F)C1=NC(C=CC=C2)=C2N1C3=NC(N4CCOCC4)=NC(N5CCOCC5)=N3
InChIKey
HGVNLRPZOWWDKD-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Mode of action
Inhibitor
Affinity biochemical assay type
HTRF-based inhibition assay
Affinity Biochemical Source Knowledge
Selectivity platform
Kinase panel, literature
Selectivity platform number of targets
139
Selectivity remarks
Screened at 30 µM, highly specific
Selectivity Source Knowledge
Compound image 
ZSTK474
Protein Kinase
PIK3CG
IC50 = 49
Kinase set
1 µM
Compound EUbOPEN ID
EUB0000656a
SMILES
FC(F)C1=NC(C=CC=C2)=C2N1C3=NC(N4CCOCC4)=NC(N5CCOCC5)=N3
InChIKey
HGVNLRPZOWWDKD-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Mode of action
Inhibitor
Affinity biochemical assay type
HTRF-based inhibition assay
Affinity Biochemical Source Knowledge
Selectivity platform
Kinase panel, literature
Selectivity platform number of targets
139
Selectivity remarks
Screened at 30 µM, highly specific
Selectivity Source Knowledge
Compound image 
ZSTK474
Protein Kinase
PIK3CD
IC50 = 5
Kinase set
1 µM
Compound EUbOPEN ID
EUB0000656a
SMILES
FC(F)C1=NC(C=CC=C2)=C2N1C3=NC(N4CCOCC4)=NC(N5CCOCC5)=N3
InChIKey
HGVNLRPZOWWDKD-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
p110D
Mode of action
Inhibitor
Affinity biochemical assay type
HTRF-based inhibition assay
Affinity Biochemical Source Knowledge
Selectivity platform
Kinase panel, literature
Selectivity platform number of targets
139
Selectivity remarks
Screened at 30 µM, highly specific
Selectivity Source Knowledge
Compound image 
PF-477736
Protein Kinase
CHEK1
Ki = 0.49
Kinase set
100 nM
Compound EUbOPEN ID
EUB0000665a
SMILES
O=C([C@H](N)C1CCCCC1)NC2=CC3=C4C(NC(C5=CN(C)N=C5)=C4C=NNC3=O)=C2
InChIKey
NDEXUOWTGYUVGA-LJQANCHMSA-N
NCBI gene ID
UniProt ID
Synonyms
CHK1
Mode of action
Inhibitor
Affinity biochemical assay type
Biochemical activity-based assay (0.15 mM ATP)
Affinity Biochemical Source Knowledge
Selectivity platform
Kinase panel, literature
Selectivity platform number of targets
100
Selectivity remarks
Screened at 1 µM or 10 µM (iknase panel literature or Upstate/Millipore); Closest targets: Ki(VEGFR2) = 8 nM, IC50(YES) = 14 nM, IC50(FMS) = 10 nM, IC50(AURKA) = 23nM, IC50(FGFR3) = 23 nM, IC50(FLT3) = 25 nM, IC50(RET) = 39 nM;
Selectivity Source Knowledge
Compound image 
PF-477736
Protein Kinase
CHEK2
Ki = 47
Kinase set
100 nM
Compound EUbOPEN ID
EUB0000665a
SMILES
O=C([C@H](N)C1CCCCC1)NC2=CC3=C4C(NC(C5=CN(C)N=C5)=C4C=NNC3=O)=C2
InChIKey
NDEXUOWTGYUVGA-LJQANCHMSA-N
NCBI gene ID
UniProt ID
Synonyms
CDS1, CHK2, HuCds1, PP1425, bA444G7
Mode of action
Inhibitor
Affinity biochemical assay type
Biochemical activity-based assay (0.15 mM ATP)
Affinity Biochemical Source Knowledge
Selectivity platform
Kinase panel, literature
Selectivity platform number of targets
100
Selectivity remarks
Screened at 1 µM or 10 µM (Kinase panel literature or Upstate/Millipore); Closest targets: Ki(VEGFR2) = 8 nM, IC50(YES) = 14 nM, IC50(FMS) = 10 nM, IC50(AURKA) = 23nM, IC50(FGFR3) = 23 nM, IC50(FLT3) = 25 nM, IC50(RET) = 39 nM;
Selectivity Source Knowledge
Compound image 
PD0325901
Protein Kinase
MAP2K1
IC50 = 82
IC50 = 0.33
Kinase set
100 nM
Compound EUbOPEN ID
EUB0000666a
SMILES
FC1=C(F)C(NC2=CC=C(I)C=C2F)=C(C(NOC[C@H](O)CO)=O)C=C1
InChIKey
SUDAHWBOROXANE-SECBINFHSA-N
NCBI gene ID
UniProt ID
Synonyms
MEK1, MAPKK1
Mode of action
Inhibitor
Affinity biochemical assay type
Enzymatic inhibition assay
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
Whole cell assay (murine colon 26 (C26) carcinoma cells)
Selectivity platform
KinomeScan (DiscoverX)
Selectivity platform number of targets
451
Selectivity remarks
Screened at 10 µM, none target within 10-fold, closest target as % of contr.: PIK3CA (I800L, 33%)
Selectivity Source Knowledge
Compound image 
PD0325901
Protein Kinase
MAP2K2
IC50 = 110
Kinase set
100 nM
Compound EUbOPEN ID
EUB0000666a
SMILES
FC1=C(F)C(NC2=CC=C(I)C=C2F)=C(C(NOC[C@H](O)CO)=O)C=C1
InChIKey
SUDAHWBOROXANE-SECBINFHSA-N
NCBI gene ID
UniProt ID
Synonyms
MEK2
Mode of action
Inhibitor
Affinity biochemical assay type
Enzymatic inhibition assay
Affinity Biochemical Source Knowledge
Selectivity platform
KinomeScan (DiscoverX)
Selectivity platform number of targets
451
Selectivity remarks
Screened at 10 µM, none target within 10-fold, closest target as % of contr.: PIK3CA (I800L, 33%)
Selectivity Source Knowledge
Compound image 
Volasertib
Protein Kinase
PLK1
IC50 = 0.87
Kinase set
100 nM
Compound EUbOPEN ID
EUB0000669a
SMILES
CC[C@@H]1C(N(C)C2=CN=C(NC3=C(OC)C=C(C(N[C@@H]4CC[C@@H](N5CCN(CC6CC6)CC5)CC4)=O)C=C3)N=C2N1C(C)C)=O
InChIKey
SXNJFOWDRLKDSF-STROYTFGSA-N
NCBI gene ID
UniProt ID
Mode of action
Inhibitor
Affinity biochemical assay type
Radiometric kinase assay (7.5 µM ATP)
Affinity Biochemical Source Knowledge
Selectivity platform
Kinase panel, literature
Selectivity platform number of targets
255
Selectivity remarks
Kinases screened in Kinobeads assay,closest target: Kd(CAMKK2) = 195 nM; Kd (BRD4) = 79 nM.
Selectivity Source Knowledge
Compound image 
Volasertib
Protein Kinase
PLK2
IC50 = 5
Kinase set
100 nM
Compound EUbOPEN ID
EUB0000669a
SMILES
CC[C@@H]1C(N(C)C2=CN=C(NC3=C(OC)C=C(C(N[C@@H]4CC[C@@H](N5CCN(CC6CC6)CC5)CC4)=O)C=C3)N=C2N1C(C)C)=O
InChIKey
SXNJFOWDRLKDSF-STROYTFGSA-N
NCBI gene ID
UniProt ID
Synonyms
SNK
Mode of action
Inhibitor
Affinity biochemical assay type
Radiometric kinase assay (7.5 µM ATP)
Affinity Biochemical Source Knowledge
Selectivity platform
Kinase panel, literature
Selectivity platform number of targets
255
Selectivity remarks
Kinases screened in Kinobeads assay,closest target: Kd(CAMKK2) = 195 nM; Kd (BRD4) = 79 nM.
Selectivity Source Knowledge
Compound image 
Volasertib
Protein Kinase
PLK3
IC50 = 56
Kinase set
100 nM
Compound EUbOPEN ID
EUB0000669a
SMILES
CC[C@@H]1C(N(C)C2=CN=C(NC3=C(OC)C=C(C(N[C@@H]4CC[C@@H](N5CCN(CC6CC6)CC5)CC4)=O)C=C3)N=C2N1C(C)C)=O
InChIKey
SXNJFOWDRLKDSF-STROYTFGSA-N
NCBI gene ID
UniProt ID
Synonyms
FNK, PRK
Mode of action
Inhibitor
Affinity biochemical assay type
Radiometric kinase assay (7.5 µM ATP)
Affinity Biochemical Source Knowledge
Selectivity platform
Kinase panel, literature
Selectivity platform number of targets
255
Selectivity remarks
Kinases screened in Kinobeads assay,closest target: Kd(CAMKK2) = 195 nM; Kd (BRD4) = 79 nM.
Selectivity Source Knowledge
Compound image 
GSK1070916
Protein Kinase
AURKB
IC50 = 5
Kinase set
1 µM
Compound EUbOPEN ID
EUB0000674a
SMILES
CN(C)CC1=CC=CC(C2=CC3=C(C4=CN(CC)N=C4C5=CC=C(NC(N(C)C)=O)C=C5)C=CN=C3N2)=C1
InChIKey
QTBWCSQGBMPECM-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
Aik2, IPL1, AurB, AIM-1, ARK2, STK5, PPP1R48
Mode of action
Inhibitor
Affinity biochemical assay type
Enzymatic activity assay
Affinity Biochemical Source Knowledge
Selectivity platform
Kinase panel, literature
Selectivity platform number of targets
328
Selectivity remarks
In vitro activity of closest targets:IC50(FLT1/4) = 42/74 nM, IC50(TIE2) = 59 nM, IC50(SIK) = 70 nM, IC50(FGFR1) = 78 nM
Selectivity Source Knowledge
Compound image 
GSK1070916
Protein Kinase
AURKC
IC50 = 6.5
Kinase set
1 µM
Compound EUbOPEN ID
EUB0000674a
SMILES
CN(C)CC1=CC=CC(C2=CC3=C(C4=CN(CC)N=C4C5=CC=C(NC(N(C)C)=O)C=C5)C=CN=C3N2)=C1
InChIKey
QTBWCSQGBMPECM-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
AurC, ARK3
Mode of action
Inhibitor
Affinity biochemical assay type
Enzymatic activity assay
Affinity Biochemical Source Knowledge
Selectivity platform
Kinase panel, literature
Selectivity platform number of targets
328
Selectivity remarks
In vitro activity of closest targets:IC50(FLT1/4) = 42/74 nM, IC50(TIE2) = 59 nM, IC50(SIK) = 70 nM, IC50(FGFR1) = 78 nM
Selectivity Source Knowledge
Compound image 
NMS-1286937
Protein Kinase
PLK1
IC50 = 2
Kinase set
100 nM
Compound EUbOPEN ID
EUB0000677a
SMILES
CN1CCN(C2=CC=C(OC(F)(F)F)C(NC3=NC=C(CCC4=C5N(CCO)N=C4C(N)=O)C5=N3)=C2)CC1
InChIKey
QHLVBNKYJGBCQJ-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Mode of action
Inhibitor
Affinity biochemical assay type
Radiometric kinase assay
Affinity Biochemical Source Knowledge
Selectivity platform
Kinase Profiler (Millipore)
Selectivity platform number of targets
296
Selectivity remarks
Screened at 1 µM, closest targets as % of contr.: CDK9 (10%), FLT3(D835Y) (9%), PLK1 (3%); Screened additionally against 58 kinases (radiometric kinase assay), closesttargets: IC50(FLT3) = 510 nM, IC50(MELK) = 744 nM, IC50(CK2) = 826 nM, other targets IC50 >10 µM (PMID: 21470862)
Selectivity Source Knowledge
Compound image 
BIX 02565
Protein Kinase
RPS6KA3@kinase 1
IC50 = 1.1
Kinase set
100 nM
Compound EUbOPEN ID
EUB0000679a
SMILES
C[C@@H]1CCNC(=O)C2=CC3=C(N12)C=C(C=C3)C(=O)NC4=NC5=CC=CC=C5N4CCCN(C)C
InChIKey
ZHMXXVNQAFCXKK-QGZVFWFLSA-N
NCBI gene ID
UniProt ID
Synonyms
RSK2, HU-3
Mode of action
Inhibitor
Affinity biochemical assay type
Kinase Glo Plus assay (Promega; 0.75 µM ATP)
Affinity Biochemical Source Knowledge
Selectivity platform
SelectScreen (Invitrogen)
Selectivity platform number of targets
200
Selectivity remarks
Screened at 1 µM, closest targets: IC50(PRKD2) = 139 nM, IC50(PRKD3) = 219 nM, IC50(RET) = 161 nM, IC50(FLT3) = 714 nM, IC50(LRRK2) =16 nM, IC50(PRKD1) = 35 nM, IC50(CLK1/2) = 512/ 112 nM, IC50(FGFR2) = 320 nM, IC50(PDGFRA) = 956 nM; Screened against panel of 68 receptors, ion channels and protein targets, at 10 µM, closest targets: IC50(A1A) = 914 nM, IC50(A1B) = 52 nM, IC50(A1D) = NA, IC50(A2A) = 1420 nM, IC50(AB2) = 1820 nM, IC50(imidazoline I2) = 97 nM (PMID: 22128344)
Selectivity Source Knowledge
Compound image 
Cobimetinib
Protein Kinase
MAP2K1
IC50 = 4.2
Kinase set
1 µM
Compound EUbOPEN ID
EUB0000684a
SMILES
FC1=C(NC2=CC=C(I)C=C2F)C(C(N3CC([C@@H]4CCCCN4)(O)C3)=O)=CC=C1F
InChIKey
BSMCAPRUBJMWDF-KRWDZBQOSA-N
NCBI gene ID
UniProt ID
Synonyms
MEK1, MAPKK1
Mode of action
Inhibitor
Affinity biochemical assay type
Enzymatic inhibition assay
Affinity Biochemical Source Knowledge
Selectivity platform
Kinase panel, literature
Selectivity platform number of targets
259
Selectivity remarks
In vitro inhibition (biochemical potency): >100 fold selective for MEK, other targets >10µM
Selectivity Source Knowledge
Compound image 
Taselisib
Protein Kinase
PIK3CA
Ki = 0.29
Kinase set
100 nM
Compound EUbOPEN ID
EUB0000685a
SMILES
CC1=NN(C(C)C)C(C2=CN(CCO3)C(C4=C3C=C(C5=CN(C(C)(C)C(N)=O)N=C5)C=C4)=N2)=N1
InChIKey
BEUQXVWXFDOSAQ-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
PI3K
Mode of action
Inhibitor
Affinity biochemical assay type
Enzymatic fluorescence polarization assay
Affinity Biochemical Source Knowledge
Selectivity platform
SelectScreen panel (Invitrogen)
Selectivity platform number of targets
235
Selectivity remarks
Screened at 1 µM, closest targets as % of cont.: PIK3C2B (80.4%), PIK3CA (98.6%), PIK3CD (97.9%), PIK3CG (90.6%), PIK3C3 (69.9%); IC50 follow-up of closest targets: IC50(PIK3C2B) = 292 nM, IC50(PIK3C3) = 374 nM, >1000-fold selective
Selectivity Source Knowledge
Compound image 
Taselisib
Protein Kinase
PIK3CB
Ki = 9.1
Kinase set
100 nM
Compound EUbOPEN ID
EUB0000685a
SMILES
CC1=NN(C(C)C)C(C2=CN(CCO3)C(C4=C3C=C(C5=CN(C(C)(C)C(N)=O)N=C5)C=C4)=N2)=N1
InChIKey
BEUQXVWXFDOSAQ-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Mode of action
Inhibitor
Affinity biochemical assay type
Enzymatic fluorescence polarization assay
Affinity Biochemical Source Knowledge
Selectivity platform
SelectScreen panel (Invitrogen)
Selectivity platform number of targets
235
Selectivity remarks
Screened at 1 µM, closest targets as % of cont.: PIK3C2B (80.4%), PIK3CA (98.6%), PIK3CD (97.9%), PIK3CG (90.6%), PIK3C3 (69.9%); IC50 follow-up of closest targets: IC50(PIK3C2B) = 292 nM, IC50(PIK3C3) = 374 nM, >1000-fold selective
Selectivity Source Knowledge
Compound image 
Taselisib
Protein Kinase
PIK3CD
Ki = 0.12
Kinase set
100 nM
Compound EUbOPEN ID
EUB0000685a
SMILES
CC1=NN(C(C)C)C(C2=CN(CCO3)C(C4=C3C=C(C5=CN(C(C)(C)C(N)=O)N=C5)C=C4)=N2)=N1
InChIKey
BEUQXVWXFDOSAQ-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
p110D
Mode of action
Inhibitor
Affinity biochemical assay type
Enzymatic fluorescence polarization assay
Affinity Biochemical Source Knowledge
Selectivity platform
SelectScreen panel (Invitrogen)
Selectivity platform number of targets
235
Selectivity remarks
Screened at 1 µM, closest targets as % of cont.: PIK3C2B (80.4%), PIK3CA (98.6%), PIK3CD (97.9%), PIK3CG (90.6%), PIK3C3 (69.9%); IC50 follow-up of closest targets: IC50(PIK3C2B) = 292 nM, IC50(PIK3C3) = 374 nM, >1000-fold selective
Selectivity Source Knowledge
Compound image 
Taselisib
Protein Kinase
PIK3CG
Ki = 0.97
Kinase set
100 nM
Compound EUbOPEN ID
EUB0000685a
SMILES
CC1=NN(C(C)C)C(C2=CN(CCO3)C(C4=C3C=C(C5=CN(C(C)(C)C(N)=O)N=C5)C=C4)=N2)=N1
InChIKey
BEUQXVWXFDOSAQ-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Mode of action
Inhibitor
Affinity biochemical assay type
Enzymatic fluorescence polarization assay
Affinity Biochemical Source Knowledge
Selectivity platform
SelectScreen panel (Invitrogen)
Selectivity platform number of targets
235
Selectivity remarks
Screened at 1 µM, closest targets as % of cont.: PIK3C2B (80.4%), PIK3CA (98.6%), PIK3CD (97.9%), PIK3CG (90.6%), PIK3C3 (69.9%); IC50 follow-up of closest targets: IC50(PIK3C2B) = 292 nM, IC50(PIK3C3) = 374 nM, >1000-fold selective
Selectivity Source Knowledge
Compound image 
Ribociclib
Protein Kinase
CDK4
IC50 = 10
Kinase set
1 µM
Compound EUbOPEN ID
EUB0000686a
SMILES
O=C(N(C)C)C(N1C2CCCC2)=CC(C1=N3)=CN=C3NC(C=C4)=NC=C4N5CCNCC5
InChIKey
RHXHGRAEPCAFML-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
PSK-J3
Mode of action
Inhibitor
Affinity biochemical assay type
Enzymatic activity assay
Affinity Biochemical Source Knowledge
Selectivity platform
KinomeScan (DiscoverX)
Selectivity platform number of targets
468
Selectivity remarks
Screened at 1 µM, closest target with PoC <10%: ABL2 (5.8%)
Selectivity Source Knowledge
Compound image 
Ribociclib
Protein Kinase
CDK6
IC50 = 39
Kinase set
1 µM
Compound EUbOPEN ID
EUB0000686a
SMILES
O=C(N(C)C)C(N1C2CCCC2)=CC(C1=N3)=CN=C3NC(C=C4)=NC=C4N5CCNCC5
InChIKey
RHXHGRAEPCAFML-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
PLSTIRE
Mode of action
Inhibitor
Affinity biochemical assay type
Enzymatic activity assay
Affinity Biochemical Source Knowledge
Selectivity platform
KinomeScan (DiscoverX)
Selectivity platform number of targets
468
Selectivity remarks
Screened at 1 µM, closest target with PoC <10%: ABL2 (5.8%)
Selectivity Source Knowledge
Compound image 
XMD17-109
Protein Kinase
MAPK7
IC50 = 162
EC50 = 90
Kinase set
1 µM
Compound EUbOPEN ID
EUB0000687a
SMILES
CN1CCN(C2CCN(C(C3=CC(OCC)=C(NC4=NC=C(N(C)C(C(C=CC=C5)=C5N6C7CCCC7)=O)C6=N4)C=C3)=O)CC2)CC1
InChIKey
XVBGRTMNFNMINE-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
BMK1, ERK5
Mode of action
Inhibitor
Affinity biochemical assay type
Radiometric assay
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
EGF-stimulated autophosphorylation of ERK5 in HeLa cells
Selectivity platform
KinomeScan (Ambit)
Selectivity platform number of targets
442
Selectivity remarks
Screened at 10 µM, S(10) = 0.007, closest targets as % of contr.: DCAMK2 (3.6%), PLK4 (5.1%); Cellular selectivity profiling at 10 µM using KiNativ method, only ERK5 inhibited with90 % higher target occupancy;
Selectivity Source Knowledge
Compound image 
Alpelisib
Protein Kinase
PIK3CA
IC50 = 5
Kinase set
1 µM
Compound EUbOPEN ID
EUB0000689a
SMILES
CC1=C(SC(=N1)NC(=O)N2CCC[C@H]2C(=O)N)C3=CC(=NC=C3)C(C)(C)C(F)(F)F
InChIKey
STUWGJZDJHPWGZ-LBPRGKRZSA-N
NCBI gene ID
UniProt ID
Synonyms
PI3K
Mode of action
Inhibitor
Affinity biochemical assay type
Enzymatic inhibition assay (Kinase-Glo® assay)
Affinity Biochemical Source Knowledge
Selectivity platform
Kinase panel (literature + Ambit panel + Invitrogen panel)
Selectivity platform number of targets
442
Selectivity remarks
Screened at 10 µM, > 50-fold selective
Selectivity Source Knowledge
Compound image 
Lorlatinib
Protein Kinase
ALK
Ki < 0.07
IC50 = 1.3
Kinase set
100 nM
Compound EUbOPEN ID
EUB0000690a
SMILES
FC1=CC=C(C(N(C)CC2=NN(C)C(C#N)=C32)=O)C([C@@H](C)OC4=C(N)N=CC3=C4)=C1
InChIKey
IIXWYSCJSQVBQM-LLVKDONJSA-N
NCBI gene ID
UniProt ID
Synonyms
CD246
Mode of action
Inhibitor
Affinity biochemical assay type
Microfluidic mobility shift assay
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
ELISA (ALK phosphoryaltion in 3T3-EML4-ALK engineered cell lines)
Selectivity platform
Z’-LYTE assays (SelectScreen Invitrogen)
Selectivity platform number of targets
206
Selectivity remarks
Screened at 1 µM, closest targets: Ki(LTK) = 2.7 nM, Ki(FER) = 3.3 nM, Ki(FES) = 6 nM, Ki(PTK2B) = 14 nM, Ki(TNK2) = 17 nM, Ki(PTK2) = 17 nM, Ki(NTRK1) = 24 nM, Ki(NTKR2) = 23 nM, Ki(NTRK3) = 46 nM, Ki(FRK) = 53 nM, Ki(EGFR(L858R/T790M)) = 56 nM, Ki(EGFR(T790M) = 319 nM, Ki(JAK2) = 529 nM, others >75% inhibition at 1 µM
Selectivity Source Knowledge
Compound image 
Lorlatinib
Protein Kinase
ROS1
Ki < 0.025
IC50 < 0.53
Kinase set
100 nM
Compound EUbOPEN ID
EUB0000690a
SMILES
FC1=CC=C(C(N(C)CC2=NN(C)C(C#N)=C32)=O)C([C@@H](C)OC4=C(N)N=CC3=C4)=C1
InChIKey
IIXWYSCJSQVBQM-LLVKDONJSA-N
NCBI gene ID
UniProt ID
Synonyms
MCF3, ROS, c-ros-1
Mode of action
Inhibitor
Affinity biochemical assay type
Microfluidic mobility shift assay
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
Sandwich ELISA (cell-based ROS1-fusion assay)
Selectivity platform
Z’-LYTE assays (SelectScreen Invitrogen)
Selectivity platform number of targets
206
Selectivity remarks
Screened at 1 µM, closest off-targets: Ki(LTK) = 2.7 nM, Ki(FER) = 3.3 nM, Ki(FES) = 6 nM, Ki(PTK2B) = 14 nM, Ki(TNK2) = 17 nM, Ki(PTK2) = 17 nM, Ki(NTRK1) = 24 nM, Ki(NTKR2) = 23 nM, Ki(NTRK3) = 46 nM, Ki(FRK) = 53 nM, Ki(EGFR(L858R/T790M)) = 56 nM, Ki(EGFR(T790M) = 319 nM, Ki(JAK2) = 529 nM, others >75% inhibition at 1 µM
Selectivity Source Knowledge
Compound image 
Omipalisib
Protein Kinase
PIK3CA
Ki = 0.019
Kinase set
100 nM
Compound EUbOPEN ID
EUB0000691a
SMILES
COC1=C(NS(C2=CC=C(F)C=C2F)(=O)=O)C=C(C3=CC(C(C4=CC=NN=C4)=CC=N5)=C5C=C3)C=N1
InChIKey
CGBJSGAELGCMKE-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
PI3K
Mode of action
Inhibitor
Affinity biochemical assay type
HTRF-based inhibition assay
Affinity Biochemical Source Knowledge
Selectivity platform
KinomeScan (DiscoverX)
Selectivity platform number of targets
442
Selectivity remarks
Screened at 10 µM, closest targets with < 10% of contr.: GAK, JAK1, STK16, TTK, PIK3C2G, MAP2K4; Screened against 240 kinases (Milipore panel): >10000-fold selective
Selectivity Source Knowledge
Compound image 
Omipalisib
Protein Kinase
PIK3CB
Ki = 0.13
Kinase set
100 nM
Compound EUbOPEN ID
EUB0000691a
SMILES
COC1=C(NS(C2=CC=C(F)C=C2F)(=O)=O)C=C(C3=CC(C(C4=CC=NN=C4)=CC=N5)=C5C=C3)C=N1
InChIKey
CGBJSGAELGCMKE-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Mode of action
Inhibitor
Affinity biochemical assay type
HTRF-based inhibition assay
Affinity Biochemical Source Knowledge
Selectivity platform
KinomeScan (DiscoverX)
Selectivity platform number of targets
442
Selectivity remarks
Screened at 10 µM, closest targets with < 10% of contr.: GAK, JAK1, STK16, TTK, PIK3C2G, MAP2K4; Screened against 240 kinases (Milipore panel): >10000-fold selective
Selectivity Source Knowledge
Compound image 
Omipalisib
Protein Kinase
PIK3CD
Ki = 0.024
Kinase set
100 nM
Compound EUbOPEN ID
EUB0000691a
SMILES
COC1=C(NS(C2=CC=C(F)C=C2F)(=O)=O)C=C(C3=CC(C(C4=CC=NN=C4)=CC=N5)=C5C=C3)C=N1
InChIKey
CGBJSGAELGCMKE-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
p110D
Mode of action
Inhibitor
Affinity biochemical assay type
HTRF-based inhibition assay
Affinity Biochemical Source Knowledge
Selectivity platform
KinomeScan (DiscoverX)
Selectivity platform number of targets
442
Selectivity remarks
Screened at 10 µM, closest targets with < 10% of contr.: GAK, JAK1, STK16, TTK, PIK3C2G, MAP2K4; Screened against 240 kinases (Milipore panel): >10000-fold selective
Selectivity Source Knowledge
Compound image 
Omipalisib
Protein Kinase
PIK3CG
Ki = 0.06
Kinase set
100 nM
Compound EUbOPEN ID
EUB0000691a
SMILES
COC1=C(NS(C2=CC=C(F)C=C2F)(=O)=O)C=C(C3=CC(C(C4=CC=NN=C4)=CC=N5)=C5C=C3)C=N1
InChIKey
CGBJSGAELGCMKE-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Mode of action
Inhibitor
Affinity biochemical assay type
HTRF-based inhibition assay
Affinity Biochemical Source Knowledge
Selectivity platform
KinomeScan (DiscoverX)
Selectivity platform number of targets
442
Selectivity remarks
Screened at 10 µM, closest targets with < 10% of contr.: GAK, JAK1, STK16, TTK, PIK3C2G, MAP2K4; Screened against 240 kinases (Milipore panel): >10000-fold selective
Selectivity Source Knowledge
Compound image 
Umbralisib
Protein Kinase
PIK3CD
IC50 = 14
Kinase set
1 µM
Compound EUbOPEN ID
EUB0000696a
SMILES
C[C@@H](C1=C(C2=CC(F)=CC=C2)C(C3=CC(F)=CC=C3O1)=O)N4N=C(C5=CC=C(OC(C)C)C(F)=C5)C6=C(N)N=CN=C46
InChIKey
IUVCFHHAEHNCFT-INIZCTEOSA-N
NCBI gene ID
UniProt ID
Synonyms
p110D
Mode of action
Inhibitor
Affinity biochemical assay type
Enzymatic inhibition assay
Affinity Biochemical Source Knowledge
Selectivity platform
Radioisotope filter binding assay (Reaction Biology)
Selectivity platform number of targets
359
Selectivity remarks
Screened at 1 µM, closest target as % of contr.: CSNK1E (39%)
Selectivity Source Knowledge
Compound image 
PLX5622
Protein Kinase
CSF1R
IC50 = 16
Kinase set
1 µM
Compound EUbOPEN ID
EUB0000697a
SMILES
CC1=CN=C(NC=C2CC3=C(F)N=C(NCC4=C(OC)N=CC(F)=C4)C=C3)C2=C1
InChIKey
NSMOZFXKTHCPTQ-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
C-FMS, CSFR, CD115
Mode of action
Inhibitor
Affinity biochemical assay type
Enzymatic inhibition assay (100 µM ATP)
Affinity Biochemical Source Knowledge
Selectivity platform
SelectScreen (Invitrogen)
Selectivity platform number of targets
200
Selectivity remarks
Screened at 1 µM, closest targets: IC50(FLT3) = 390 nM, IC50(KIT) = 860 nM, IC50(AURKC) = 1000 nM, IC50(KDR) = 1100 nM (enzymatic assay with 100 µM ATP), other targets > 1 µM; Cellular selectivity: IC50(FLT3) > 10 µM (FLT3-ITD dependent proliferation of Ba/F3 cells); IC50(KIT) = 2.7 µM (BCR-KIT fusion dependent proliferation of Ba/F3 cells)
Selectivity Source Knowledge
Compound image 
GW843682X
Protein Kinase
PLK1
IC50 = 2.2
IC50 = 140
Kinase set
100 nM
Compound EUbOPEN ID
EUB0000698a
SMILES
COC1=C(OC)C=C(N=CN2C3=CC(OCC4=CC=CC=C4C(F)(F)F)=C(C(N)=O)S3)C2=C1
InChIKey
JSKUWFIZUALZLX-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Mode of action
Inhibitor
Affinity biochemical assay type
Radiometric kinase assay
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
ELISA (PLK1 phosphorylation of Ser15-p53 in HeLa cells)
Selectivity platform
KinomeScan (DiscoverX)
Selectivity platform number of targets
441
Selectivity remarks
Screened at 10 µM, closest targets as % of contr.: GAK(4.1%), RIOK1/3 (4.1/4.2%), PDGFRB (5.3%), FLT3(D835H)(1.4%), FLT4(1.4%), KIT(D816V)(1.4%), PIP5K2B(6.6%), MAPK3K1(1.6%), PIP5K2B(6.6%), DAPK1(8.6%), FLT3(N841I) (1.7%), ROCK1 (4.7%), MST2(1.8%), SRPK1(8.9%), EPHB6(9.9%), LOK(0.0%), PLK2(0.2%), SLK(0.3%), MP2K5(0.5%), BIKE(1.0%), PIP5K1C (10%); Screened against 30 kinases, closest targets: IC50(PDGFR1b) = 160 nM, IC50(VEGFR2) = 360 nM, IC50(AURA) = 4800 nM, IC50(CDK2/cyclinA) = 7600 nM, others IC50 >10 µM (PMID: 17267659)
Selectivity Source Knowledge
Compound image 
GW843682X
Protein Kinase
PLK3
IC50 = 9.1
Kinase set
100 nM
Compound EUbOPEN ID
EUB0000698a
SMILES
COC1=C(OC)C=C(N=CN2C3=CC(OCC4=CC=CC=C4C(F)(F)F)=C(C(N)=O)S3)C2=C1
InChIKey
JSKUWFIZUALZLX-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
FNK, PRK
Mode of action
Inhibitor
Affinity biochemical assay type
Radiometric kinase assay
Affinity Biochemical Source Knowledge
Selectivity platform
KinomeScan (DiscoverX)
Selectivity platform number of targets
441
Selectivity remarks
Screened at 10 µM, closest targets as % of contr.: GAK(4.1%), RIOK1/3 (4.1/4.2%), PDGFRB (5.3%), FLT3(D835H)(1.4%), FLT4(1.4%), KIT(D816V)(1.4%), PIP5K2B(6.6%), MAPK3K1(1.6%), PIP5K2B(6.6%), DAPK1(8.6%), FLT3(N841I) (1.7%), ROCK1 (4.7%), MST2(1.8%), SRPK1(8.9%), EPHB6(9.9%), LOK(0.0%), PLK2(0.2%), SLK(0.3%), MP2K5(0.5%), BIKE(1.0%), PIP5K1C (10%); Screened against 30 kinases, closest targets: IC50(PDGFR1b) = 160 nM, IC50(VEGFR2) = 360 nM, IC50(AURA) = 4800 nM, IC50(CDK2/cyclinA) = 7600 nM, others IC50 >10 µM (PMID: 17267659)
Selectivity Source Knowledge
Compound image 
PD173074
Protein Kinase
FGFR1
IC50 = 21.5
IC50 = 15
Kinase set
100 nM
Compound EUbOPEN ID
EUB0000699a
SMILES
O=C(NC(C)(C)C)NC2=NC1=NC(NCCCCN(CC)CC)=NC=C1C=C2C3=CC(OC)=CC(OC)=C3
InChIKey
DXCUKNQANPLTEJ-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
H2, H3, H4, H5, CEK, FLG, BFGFR, N-SAM, CD331
Mode of action
Inhibitor
Affinity biochemical assay type
Enzymatic inhibition assay (5 µM ATP)
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
Immunoblotting (inhibition of FGFR1 autophosphorylation in NIH 3T3 cells)
Affinity on-target cellular source knowledge
Selectivity platform
KinomeScan (DiscoverX)
Selectivity platform number of targets
317
Selectivity remarks
Screened at 10 μM, closest targets at % of contr.: DDR1 (1.1%), FLT4 (6.0%), CSF1R (6.6%), MST3 (7.0%), VEGFR1 (8.0%), YSK1 (9.4%);In-vitro potency of other targets: IC50(PDGFR, cytoplasmic domain) = 17.6 µM, IC50(c-Src) = 19.8 µM;
Selectivity Source Knowledge
Compound image 
PD173074
Protein Kinase
FGFR2
IC50 = 25.1
Kinase set
100 nM
Compound EUbOPEN ID
EUB0000699a
SMILES
O=C(NC(C)(C)C)NC2=NC1=NC(NCCCCN(CC)CC)=NC=C1C=C2C3=CC(OC)=CC(OC)=C3
InChIKey
DXCUKNQANPLTEJ-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
CEK3, TK14, TK25, ECT1, K-SAM, CD332
Mode of action
Inhibitor
Affinity on-target cellular assay type
NanoBRET assay (in HEK293T cells)
Affinity on-target cellular source knowledge
Selectivity platform
KinomeScan (DiscoverX)
Selectivity platform number of targets
317
Selectivity remarks
Screened at 10 μM, closest targets at % of contr.: DDR1 (1.1%), FLT4 (6.0%), CSF1R (6.6%), MST3 (7.0%), VEGFR1 (8.0%), YSK1 (9.4%); In-vitro potency of other targets: IC50(PDGFR, cytoplasmic domain) = 17.6 µM, IC50(c-Src) = 19.8 µM;
Selectivity Source Knowledge
Compound image 
PD173074
Protein Kinase
FGFR3
IC50 = 58.4
Kinase set
100 nM
Compound EUbOPEN ID
EUB0000699a
SMILES
O=C(NC(C)(C)C)NC2=NC1=NC(NCCCCN(CC)CC)=NC=C1C=C2C3=CC(OC)=CC(OC)=C3
InChIKey
DXCUKNQANPLTEJ-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
CEK2, JTK4, CD333
Mode of action
Inhibitor
Affinity on-target cellular assay type
NanoBRET assay (in HEK293T cells)
Affinity on-target cellular source knowledge
Selectivity platform
KinomeScan (DiscoverX)
Selectivity platform number of targets
317
Selectivity remarks
Screened at 10 μM, closest targets at % of contr.: DDR1 (1.1%), FLT4 (6.0%), CSF1R (6.6%), MST3 (7.0%), VEGFR1 (8.0%), YSK1 (9.4%); In-vitro potency of other targets: IC50(PDGFR, cytoplasmic domain) = 17.6 µM, IC50(c-Src) = 19.8 µM;
Selectivity Source Knowledge
Compound image 
ERKi-NC
Protein Kinase
MAPK3
Negative Control
Kinase set
1 µM
Compound EUbOPEN ID
EUB0000700a
SMILES
C[C@@H](C1=CC=CC=N1)NC(NC2=NC(CO)=C3C=NNC3=C2)=O
InChIKey
XACXTPQNHGFQOD-VIFPVBQESA-N
NCBI gene ID
UniProt ID
Synonyms
ERK1, p44mapk, p44erk1
Mode of action
Negative control for ERKi
Affinity Biochemical Source Knowledge
Compound image 
ERKi-NC
Protein Kinase
MAPK1
Negative Control
Kinase set
1 µM
Compound EUbOPEN ID
EUB0000700a
SMILES
C[C@@H](C1=CC=CC=N1)NC(NC2=NC(CO)=C3C=NNC3=C2)=O
InChIKey
XACXTPQNHGFQOD-VIFPVBQESA-N
NCBI gene ID
UniProt ID
Synonyms
ERK, ERK2, p41mapk, MAPK2
Mode of action
Negative control for ERKi
Affinity Biochemical Source Knowledge
Compound image 
BAY-440
Protein Kinase
TBK1
Negative Control
Kinase set
1 µM
Compound EUbOPEN ID
EUB0000701a
SMILES
CN(C1=NC=NC(C2=CC=C3N=C(NC3=C2)NC4=CC(CN5CCN(C(CC(F)(F)F)=O)CC5)=CC=N4)=C1Cl)C
InChIKey
FNGNFKLDKUCGLD-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
NAK
Mode of action
Negative control for BAY-985
Affinity Biochemical Source Knowledge
Compound image 
BAY-440
Protein Kinase
IKBKE
Negative Control
Kinase set
1 µM
Compound EUbOPEN ID
EUB0000701a
SMILES
CN(C1=NC=NC(C2=CC=C3N=C(NC3=C2)NC4=CC(CN5CCN(C(CC(F)(F)F)=O)CC5)=CC=N4)=C1Cl)C
InChIKey
FNGNFKLDKUCGLD-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
IKKE, IKK-i, KIAA0151
Mode of action
Negative control for BAY-985
Affinity Biochemical Source Knowledge
Compound image 
PF-00911705
Protein Kinase
PTK2
Negative Control
Kinase set
100 nM
Compound EUbOPEN ID
EUB0000702a
SMILES
CN(S(C)(=O)=O)C1=CC=NC(CNC2=C(C(F)(F)F)C=NC(NC3=CC(CC(N4)=O)=C4C=C3)=N2)=N1
InChIKey
BJRRXLJCIAUKMM-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
FAK, FADK, FAK1, PPP1R71
Mode of action
Negative control for PF-04554878
Affinity Biochemical Source Knowledge
Compound image 
PF-00911705
Protein Kinase
PTK2B
Negative Control
Kinase set
100 nM
Compound EUbOPEN ID
EUB0000702a
SMILES
CN(S(C)(=O)=O)C1=CC=NC(CNC2=C(C(F)(F)F)C=NC(NC3=CC(CC(N4)=O)=C4C=C3)=N2)=N1
InChIKey
BJRRXLJCIAUKMM-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
CAKB, PYK2, RAFTK, PTK, CADTK
Mode of action
Negative control for PF-04554878
Affinity Biochemical Source Knowledge
Compound image 
BAY-309
Protein Kinase
TIE1
Negative Control
Kinase set
100 nM
Compound EUbOPEN ID
EUB0000703a
SMILES
O=C(C1=CC=CC(S(F)(F)(F)(F)F)=C1)NC2=CC(C)=CC(N3C=CN(C3=C4)N=C4C5=CN=CC=C5)=C2
InChIKey
MOONEVNPHKFNGV-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
JTK14
Mode of action
Negative control for BAY-826
Affinity Biochemical Source Knowledge
Compound image 
BAY-309
Protein Kinase
TEK
Negative Control
Kinase set
100 nM
Compound EUbOPEN ID
EUB0000703a
SMILES
O=C(C1=CC=CC(S(F)(F)(F)(F)F)=C1)NC2=CC(C)=CC(N3C=CN(C3=C4)N=C4C5=CN=CC=C5)=C2
InChIKey
MOONEVNPHKFNGV-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
TIE2, TIE-2, VMCM1, CD202b
Mode of action
Negative control for BAY-826
Affinity Biochemical Source Knowledge
Compound image 
BAY-309
Protein Kinase
DDR1
Negative Control
Kinase set
100 nM
Compound EUbOPEN ID
EUB0000703a
SMILES
O=C(C1=CC=CC(S(F)(F)(F)(F)F)=C1)NC2=CC(C)=CC(N3C=CN(C3=C4)N=C4C5=CN=CC=C5)=C2
InChIKey
MOONEVNPHKFNGV-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
RTK6, CD167
Mode of action
Negative control for BAY-826
Affinity Biochemical Source Knowledge
Compound image 
BAY-309
Protein Kinase
DDR2
Negative Control
Kinase set
100 nM
Compound EUbOPEN ID
EUB0000703a
SMILES
O=C(C1=CC=CC(S(F)(F)(F)(F)F)=C1)NC2=CC(C)=CC(N3C=CN(C3=C4)N=C4C5=CN=CC=C5)=C2
InChIKey
MOONEVNPHKFNGV-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
TKT
Mode of action
Negative control for BAY-826
Affinity Biochemical Source Knowledge
Compound image 
MRL-SYKi-NC
Protein Kinase
SYK
Negative Control
Kinase set
100 nM
Compound EUbOPEN ID
EUB0000704a
SMILES
OC([C@H](C(C)(C)C1)CC[C@]1(O)C2=NC=C(S2)C3=CC(NC4=NC=CC(C)=N4)=CC(C)=C3)=O
InChIKey
OYKPWSZSBLRRPL-HOYKHHGWSA-N
NCBI gene ID
UniProt ID
Mode of action
Negative control for MRL-SYKi
Affinity Biochemical Source Knowledge
Compound image 
T3-CLK-N
Protein Kinase
CLK1
Negative Control
Kinase set
100 nM
Compound EUbOPEN ID
EUB0000705a
SMILES
CN1CCN(C(C(C)(C2=CC=C(C(NC3=CN4C=C(C5=CC(C(C)(C)C)=CC(C(C)(C)C)=C5)C=CC4=N3)=O)C=C2)C)=O)CC1
InChIKey
BNTGVINQADRYBE-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Mode of action
Negative control for T3-CLK
Affinity Biochemical Source Knowledge
Compound image 
T3-CLK-N
Protein Kinase
CLK2
Negative Control
Kinase set
100 nM
Compound EUbOPEN ID
EUB0000705a
SMILES
CN1CCN(C(C(C)(C2=CC=C(C(NC3=CN4C=C(C5=CC(C(C)(C)C)=CC(C(C)(C)C)=C5)C=CC4=N3)=O)C=C2)C)=O)CC1
InChIKey
BNTGVINQADRYBE-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Mode of action
Negative control for T3-CLK
Affinity Biochemical Source Knowledge
Compound image 
T3-CLK-N
Protein Kinase
CLK3
Negative Control
Kinase set
100 nM
Compound EUbOPEN ID
EUB0000705a
SMILES
CN1CCN(C(C(C)(C2=CC=C(C(NC3=CN4C=C(C5=CC(C(C)(C)C)=CC(C(C)(C)C)=C5)C=CC4=N3)=O)C=C2)C)=O)CC1
InChIKey
BNTGVINQADRYBE-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Mode of action
Negative control for T3-CLK
Affinity Biochemical Source Knowledge
Compound image 
T3-CLK-N
Protein Kinase
CLK4
Negative Control
Kinase set
100 nM
Compound EUbOPEN ID
EUB0000705a
SMILES
CN1CCN(C(C(C)(C2=CC=C(C(NC3=CN4C=C(C5=CC(C(C)(C)C)=CC(C(C)(C)C)=C5)C=CC4=N3)=O)C=C2)C)=O)CC1
InChIKey
BNTGVINQADRYBE-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Mode of action
Negative control for T3-CLK
Affinity Biochemical Source Knowledge
Compound image 
MLi-2-NC
Protein Kinase
LRRK2
Negative Control
Kinase set
100 nM
Compound EUbOPEN ID
EUB0000706a
SMILES
C[C@H]1CN(C[C@@H](C)O1)C2=NC=NC(C3=NN(C4=C3C=C(C=C4)OC5(C)CC5)C)=C2
InChIKey
YGCZGTCXWBPTDC-GASCZTMLSA-N
NCBI gene ID
UniProt ID
Synonyms
ROCO2, DKFZp434H2111, FLJ45829, RIPK7
Mode of action
Negative control for MLi-2
Affinity Biochemical Source Knowledge
Compound image 
BAY-974
Protein Kinase
PRKAA1
Negative Control
Kinase set
100 nM
Compound EUbOPEN ID
EUB0000707a
SMILES
CC1=C(C=CC=C1)C(NC2=NN(C3=CC=C(C=C23)C4C(C#N)=C(C)NC(C)=C4C#N)C)=O
InChIKey
YJJMPAOJOSVSDB-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
AMPKa1
Mode of action
Negative control for BAY-3827
Affinity Biochemical Source Knowledge
Compound image 
BAY-974
Protein Kinase
RPS6KA1@kinase 1
Negative Control
Kinase set
100 nM
Compound EUbOPEN ID
EUB0000707a
SMILES
CC1=C(C=CC=C1)C(NC2=NN(C3=CC=C(C=C23)C4C(C#N)=C(C)NC(C)=C4C#N)C)=O
InChIKey
YJJMPAOJOSVSDB-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
RSK3, HU-2
Mode of action
Negative control for BAY-3827
Affinity Biochemical Source Knowledge
Compound image 
BAY-693
Protein Kinase
MAPK7
Negative Control
Kinase set
1 µM
Compound EUbOPEN ID
EUB0000708a
SMILES
CC1=NC(C=C(N2CCN(CC2)C)C=N3)=C3C(C4CCN(C(C5=CC=C(OC(F)(F)F)C=C5N)=O)CC4)=N1
InChIKey
AROOGPVJRFLMEV-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
BMK1, ERK5
Mode of action
Negative control for BAY-885
Affinity Biochemical Source Knowledge
Compound image 
BAY-4900
Protein Kinase
ROCK1
Negative Control
Kinase set
100 nM
Compound EUbOPEN ID
EUB0000709a
SMILES
CN1C=C(Cl)C2=C1N=CC=C2OC3=C(F)C=C(NC4=NC(N)=NC(Cl)=C4)C=C3F
InChIKey
LQNZFNWBROGUOM-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
p160ROCK
Mode of action
Negative control for BAY-549
Affinity Biochemical Source Knowledge
Compound image 
BAY-4900
Protein Kinase
ROCK2
Negative Control
Kinase set
100 nM
Compound EUbOPEN ID
EUB0000709a
SMILES
CN1C=C(Cl)C2=C1N=CC=C2OC3=C(F)C=C(NC4=NC(N)=NC(Cl)=C4)C=C3F
InChIKey
LQNZFNWBROGUOM-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Mode of action
Negative control for BAY-549
Affinity Biochemical Source Knowledge
Compound image 
Al11
Protein Kinase
ACVR1B
Negative Control
Kinase set
1 µM
Compound EUbOPEN ID
EUB0000710a
SMILES
O=C1N(C2=CC=CC=C2N1CC(N)=O)C3=CC(C4=C(C=CC(Cl)=C4)F)=CN=C3C
InChIKey
XNDYHEXTXJNCNG-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
ALK4, SKR2, ActRIB
Mode of action
Negative control for TP-008
Affinity Biochemical Source Knowledge
Compound image 
Al11
Protein Kinase
TGFBR1
Negative Control
Kinase set
1 µM
Compound EUbOPEN ID
EUB0000710a
SMILES
O=C1N(C2=CC=CC=C2N1CC(N)=O)C3=CC(C4=C(C=CC(Cl)=C4)F)=CN=C3C
InChIKey
XNDYHEXTXJNCNG-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
ALK-5, ACVRLK4, ALK5, TBRI, TBR-i
Mode of action
Negative control for TP-008
Affinity Biochemical Source Knowledge
Compound image 
SR321
Protein Kinase
MAPK11
Negative Control
Kinase set
1 µM
Compound EUbOPEN ID
EUB0000711a
SMILES
FC(F)(F)C1=C(C=NN1C2=CC=CC=C2)C(NCC3=CC=C(C=C3)C(NCCCC4CCCCC4)=O)=O
InChIKey
HMPXSYOFBMBHDF-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
p38-2, p38Beta, SAPK2
Mode of action
Negative control for SR318
Affinity Biochemical Source Knowledge
Compound image 
SR321
Protein Kinase
MAPK14
Negative Control
Kinase set
1 µM
Compound EUbOPEN ID
EUB0000711a
SMILES
FC(F)(F)C1=C(C=NN1C2=CC=CC=C2)C(NCC3=CC=C(C=C3)C(NCCCC4CCCCC4)=O)=O
InChIKey
HMPXSYOFBMBHDF-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
PRKM14, p38, Mxi2, PRKM15
Mode of action
Negative control for SR318
Affinity Biochemical Source Knowledge
Compound image 
SR-302
Protein Kinase
DDR1
IC50 = 53.3
IC50 = 23
Kinase set
100 nM
Compound EUbOPEN ID
EUB0000712a
SMILES
CS(N1CCCC(NC([C@@H](NC(C2=CC=C(C=C2)CNC(C3=CN=C4C=CC=CN34)=O)=O)CCC5CCCCC5)=O)C1)(=O)=O
InChIKey
WGMNFJAFXXXRLZ-GEVKEYJPSA-N
NCBI gene ID
UniProt ID
Synonyms
RTK6, CD167
Mode of action
Inhibitor
Negative control
SR301
Affinity biochemical assay type
Enzyme kinetic assay (Reaction Biology)
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
NanoBRET assay (HEK293T cells)
Selectivity platform
KinomeScan (DiscoverX)
Selectivity platform number of targets
468
Selectivity remarks
Screened at 1 µM, closest targets as % of contr.: ABL1-nonphosphorylated (14%), RIPK2 (30%), RPS6KA5RPS6KA5(Kin.Dom.2-C-terminal) (35%), CHEK2 (37%), PIK3CA (37%), STK38L (40%); Follow-up IC50s in cellular NanoBRET assays: all targets IC50 >25 µM (>125-fold selective);
Selectivity Source Knowledge
Compound image 
SR-302
Protein Kinase
DDR2
IC50 = 0.75
IC50 = 18
Kinase set
100 nM
Compound EUbOPEN ID
EUB0000712a
SMILES
CS(N1CCCC(NC([C@@H](NC(C2=CC=C(C=C2)CNC(C3=CN=C4C=CC=CN34)=O)=O)CCC5CCCCC5)=O)C1)(=O)=O
InChIKey
WGMNFJAFXXXRLZ-GEVKEYJPSA-N
NCBI gene ID
UniProt ID
Synonyms
TKT
Mode of action
Inhibitor
Negative control
SR301
Affinity biochemical assay type
Enzyme kinetic assay (Reaction Biology)
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
NanoBRET assay (HEK293T cells)
Selectivity platform
KinomeScan (DiscoverX)
Selectivity platform number of targets
468
Selectivity remarks
Screened at 1 µM, closest targets as % of contr.: ABL1-nonphosphorylated (14%), RIPK2 (30%), RPS6KA5RPS6KA5(Kin.Dom.2-C-terminal) (35%), CHEK2 (37%), PIK3CA (37%), STK38L (40%); Follow-up IC50s in cellular NanoBRET assays: all targets IC50 >25 µM (>125-fold selective);
Selectivity Source Knowledge
Compound image 
SR-302
Protein Kinase
MAPK11
IC50 = 45.1
IC50 = 196
Kinase set
100 nM
Compound EUbOPEN ID
EUB0000712a
SMILES
CS(N1CCCC(NC([C@@H](NC(C2=CC=C(C=C2)CNC(C3=CN=C4C=CC=CN34)=O)=O)CCC5CCCCC5)=O)C1)(=O)=O
InChIKey
WGMNFJAFXXXRLZ-GEVKEYJPSA-N
NCBI gene ID
UniProt ID
Synonyms
p38-2, p38Beta, SAPK2
Mode of action
Inhibitor
Negative control
SR301
Affinity biochemical assay type
Enzyme kinetic assay (Reaction Biology)
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
NanoBRET assay (HEK293T cells)
Selectivity platform
KinomeScan (DiscoverX)
Selectivity platform number of targets
468
Selectivity remarks
Screened at 1 µM, closest targets as % of contr.: ABL1-nonphosphorylated (14%), RIPK2 (30%), RPS6KA5RPS6KA5(Kin.Dom.2-C-terminal) (35%), CHEK2 (37%), PIK3CA (37%), STK38L (40%); Follow-up IC50s in cellular NanoBRET assays: all targets IC50 >25 µM (>125-fold selective);
Selectivity Source Knowledge
Compound image 
SR-302
Protein Kinase
MAPK14
IC50 = 6.2
IC50 = 125
Kinase set
100 nM
Compound EUbOPEN ID
EUB0000712a
SMILES
CS(N1CCCC(NC([C@@H](NC(C2=CC=C(C=C2)CNC(C3=CN=C4C=CC=CN34)=O)=O)CCC5CCCCC5)=O)C1)(=O)=O
InChIKey
WGMNFJAFXXXRLZ-GEVKEYJPSA-N
NCBI gene ID
UniProt ID
Synonyms
PRKM14, p38, Mxi2, PRKM15
Mode of action
Inhibitor
Negative control
SR301
Affinity biochemical assay type
Enzyme kinetic assay (Reaction Biology)
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
NanoBRET assay (HEK293T cells)
Selectivity platform
KinomeScan (DiscoverX)
Selectivity platform number of targets
468
Selectivity remarks
Screened at 1 µM, closest targets as % of contr.: ABL1-nonphosphorylated (14%), RIPK2 (30%), RPS6KA5RPS6KA5(Kin.Dom.2-C-terminal) (35%), CHEK2 (37%), PIK3CA (37%), STK38L (40%); Follow-up IC50s in cellular NanoBRET assays: all targets IC50 >25 µM (>125-fold selective);
Selectivity Source Knowledge
Compound image 
BAY-826
Protein Kinase
TEK
Kd = 1.6
IC50 = 0.7
Kinase set
100 nM
Compound EUbOPEN ID
EUB0000713a
SMILES
N#CC1=CC(S(F)(F)(F)(F)F)=CC(C(NC2=C(C)C=C(C)C(N3C=CN(C3=C4)N=C4C5=CN=CC=C5)=C2)=O)=C1
InChIKey
MPASHPJAIUOWCK-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
TIE2, TIE-2, VMCM1, CD202b
Mode of action
Inhibitor
Negative control
BAY-309
Affinity biochemical assay type
KdELECT (DiscoverX)
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
NanoBRET assay (HEK293T cells)
Selectivity platform
Kinome Scan (DiscoverX)
Selectivity platform number of targets
453
Selectivity remarks
Screened at 100 nM, closest targets: Kd(STK10) = 5.9 nM, Ki(EPHB6) = 25 nM, Ki(ABL-1, non-phosphorylated) = 38 nM, Ki(LYN) = 40 nM; Cellular selectivity, of closest targets in HEK293T cells (NanoBRET assay): IC50(STK10) = 210 ± 97 nM (n= 2), IC50(EPHB6) = 3.9 ± 0.3 µM (n= 2), IC50(LYN) = 8.2 ± 0.86 µM (n= 2); Screened against 45 GPCR targets (PDSP screen) at 10 µM, closest targets: Ki(OPRK1) = 124.61 nM, Ki(GABA/PBR) = 217.26 nM, Ki(TMEM97) = 983.68 nM, Ki(ADRB3) = 7099.67 nM
Selectivity Source Knowledge
Compound image 
BAY-826
Protein Kinase
DDR1
Kd = 0.4
IC50 = 0.9
Kinase set
100 nM
Compound EUbOPEN ID
EUB0000713a
SMILES
N#CC1=CC(S(F)(F)(F)(F)F)=CC(C(NC2=C(C)C=C(C)C(N3C=CN(C3=C4)N=C4C5=CN=CC=C5)=C2)=O)=C1
InChIKey
MPASHPJAIUOWCK-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
RTK6, CD167
Mode of action
Inhibitor
Negative control
BAY-309
Affinity biochemical assay type
KdELECT (DiscoverX)
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
NanoBRET assay (HEK293T cells)
Selectivity platform
Kinome Scan (DiscoverX)
Selectivity platform number of targets
453
Selectivity remarks
Screened at 100 nM, closest targets: Kd(STK10) = 5.9 nM, Ki(EPHB6) = 25 nM, Ki(ABL-1, non-phosphorylated) = 38 nM, Ki(LYN) = 40 nM; Cellular selectivity, of closest targets in HEK293T cells (NanoBRET assay): IC50(STK10) = 210 ± 97 nM (n= 2), IC50(EPHB6) = 3.9 ± 0.3 µM (n= 2), IC50(LYN) = 8.2 ± 0.86 µM (n= 2); Screened against 45 GPCR targets (PDSP screen) at 10 µM, closest targets: Ki(OPRK1) = 124.61 nM, Ki(GABA/PBR) = 217.26 nM, Ki(TMEM97) = 983.68 nM, Ki(ADRB3) = 7099.67 nM
Selectivity Source Knowledge
Compound image 
BAY-826
Protein Kinase
DDR2
Kd = 1.3
IC50 = 3
Kinase set
100 nM
Compound EUbOPEN ID
EUB0000713a
SMILES
N#CC1=CC(S(F)(F)(F)(F)F)=CC(C(NC2=C(C)C=C(C)C(N3C=CN(C3=C4)N=C4C5=CN=CC=C5)=C2)=O)=C1
InChIKey
MPASHPJAIUOWCK-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
TKT
Mode of action
Inhibitor
Negative control
BAY-309
Affinity biochemical assay type
KdELECT (DiscoverX)
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
NanoBRET assay (HEK293T cells)
Selectivity platform
Kinome Scan (DiscoverX)
Selectivity platform number of targets
453
Selectivity remarks
Screened at 100 nM, closest targets: Kd(STK10) = 5.9 nM, Ki(EPHB6) = 25 nM, Ki(ABL-1, non-phosphorylated) = 38 nM, Ki(LYN) = 40 nM; Cellular selectivity, of closest targets in HEK293T cells (NanoBRET assay): IC50(STK10) = 210 ± 97 nM (n= 2), IC50(EPHB6) = 3.9 ± 0.3 µM (n= 2), IC50(LYN) = 8.2 ± 0.86 µM (n= 2); Screened against 45 GPCR targets (PDSP screen) at 10 µM, closest targets: Ki(OPRK1) = 124.61 nM, Ki(GABA/PBR) = 217.26 nM, Ki(TMEM97) = 983.68 nM, Ki(ADRB3) = 7099.67 nM
Selectivity Source Knowledge
Compound image 
BAY-826
Protein Kinase
TIE1
Kd = 0.9
IC50 = 5.4
Kinase set
100 nM
Compound EUbOPEN ID
EUB0000713a
SMILES
N#CC1=CC(S(F)(F)(F)(F)F)=CC(C(NC2=C(C)C=C(C)C(N3C=CN(C3=C4)N=C4C5=CN=CC=C5)=C2)=O)=C1
InChIKey
MPASHPJAIUOWCK-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
JTK14
Mode of action
Inhibitor
Negative control
BAY-309
Affinity biochemical assay type
KdELECT (DiscoverX)
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
NanoBRET assay (HEK293T cells)
Selectivity platform
Kinome Scan (DiscoverX)
Selectivity platform number of targets
453
Selectivity remarks
Screened at 100 nM, closest targets: Kd(STK10) = 5.9 nM, Ki(EPHB6) = 25 nM, Ki(ABL-1, non-phosphorylated) = 38 nM, Ki(LYN) = 40 nM; Cellular selectivity, of closest targets in HEK293T cells (NanoBRET assay): IC50(STK10) = 210 ± 97 nM (n= 2), IC50(EPHB6) = 3.9 ± 0.3 µM (n= 2), IC50(LYN) = 8.2 ± 0.86 µM (n= 2); Screened against 45 GPCR targets (PDSP screen) at 10 µM, closest targets: Ki(OPRK1) = 124.61 nM, Ki(GABA/PBR) = 217.26 nM, Ki(TMEM97) = 983.68 nM, Ki(ADRB3) = 7099.67 nM
Selectivity Source Knowledge
Compound image 
MRL-SYKi
Protein Kinase
SYK
IC50 = 0.9
IC50 = 38
Kinase set
100 nM
Compound EUbOPEN ID
EUB0000714a
SMILES
OC([C@H](C(C)(C)C1)CC[C@]1(O)C2=NC=C(S2)C3=CC(NC4=CC=CC(C(F)(F)F)=N4)=C(C)C=C3)=O
InChIKey
HUOXIXBCBFNFKF-VOIUYBSRSA-N
NCBI gene ID
UniProt ID
Mode of action
Inhibitor
Negative control
MRL-SYKi-NC
Affinity biochemical assay type
Enzymatic inhibition assay
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
Cellular human mast cell degranulation assay
Selectivity platform
KinomeScan (Invitrogen)
Selectivity platform number of targets
265
Selectivity remarks
Screened at 1 µM, no targets within 10-fold, closest kinases IC50 >100-fold
Selectivity Source Knowledge
Compound image 
MLi-2
Protein Kinase
LRRK2
IC50 = 0.76
IC50 = 1.2
Kinase set
100 nM
Compound EUbOPEN ID
EUB0000715a
SMILES
[H][C@@]1(CN(C2=NC=NC(C3=NNC4=C3C=C(OC5(CC5)C)C=C4)=C2)C[C@@](C)(O1)[H])C
InChIKey
ATUUNJCZCOMUKD-OKILXGFUSA-N
NCBI gene ID
UniProt ID
Synonyms
ROCO2, DKFZp434H2111, FLJ45829, RIPK7
Mode of action
Inhibitor
Negative control
MLi-2-NC
Affinity biochemical assay type
LanthaScreen
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
NanoBRET assay (HEK293T cells)
Selectivity platform
SelectScreen (Invitrogen)
Selectivity platform number of targets
308
Selectivity remarks
Screened at 1 µM, >100-fold selective, closest targets: IC50(CLK4) = 225 nM, IC50(MAP3K14) = 244 nM, IC50(MAP3K5) = 428 nM, IC50(CLK2) = 605 nM, IC50(TTK) = 935 nM); PanLabs Profile showed 5 hits > 50% inhibition at 10 µM: IC50 (HTR2B) = 1.2 µM, IC50(SLC6A2) = 3.8 µM, IC50(CHRM2) = 6.4 µM, IC50(PPARG) = 6.5 µM, IC50(adenosine transporter) = 9.7 µM; Screened against 45 GPCR targets (PDSP screen) at 10 µM, closest target: Ki(TMEM97) = 4600.45 nM
Selectivity Source Knowledge
Compound image 
BAY-549
Protein Kinase
ROCK1
IC50 = 0.6
Kinase set
100 nM
Compound EUbOPEN ID
EUB0000716a
SMILES
Cc1c[nH]c2c1c(ccn2)Oc1c(cc(cc1F)Nc1cc(nc(N)n1)[Cl])F
InChIKey
NRSGWEVTVGZDFC-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
p160ROCK
Mode of action
Inhibitor
Negative control
BAY-4900
Affinity biochemical assay type
Enzyme activity assay
Affinity Biochemical Source Knowledge
Selectivity platform
KinomeScan (DiscoverX)
Selectivity platform number of targets
468
Selectivity remarks
Screened at 100 nM, closest targets as % of contr.: LATS2 (0.7%), PRKACA (28%), PRKACB (36%), LATS1 (42%), PRKG1 (49%); Screened in Upstate kinase panel against 114 kinases at 10 µM, >250 fold selective, closest targets: IC50(NTRK1) = 252 nM, IC50(FLT3) = 303 nM, IC50(PKA) = 734 nM; Screened against 45 GPCR targets (PDSP screen), closest targets: Ki(OPRK1) = 187.33 nM, Ki(SIGMAR1) = 6765.5 nM; Screened in Eurofins-Panlabs radioligand binding assay against 63 targets at 10 µM, closest targets: Ki(SLC6A3) = 0.039 µM, Ki(DAT2) = 0.027 µM;
Selectivity Source Knowledge
Compound image 
BAY-549
Protein Kinase
ROCK2
IC50 = 1.1
Kinase set
100 nM
Compound EUbOPEN ID
EUB0000716a
SMILES
Cc1c[nH]c2c1c(ccn2)Oc1c(cc(cc1F)Nc1cc(nc(N)n1)[Cl])F
InChIKey
NRSGWEVTVGZDFC-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Mode of action
Inhibitor
Negative control
BAY-4900
Affinity biochemical assay type
Enzyme activity assay
Affinity Biochemical Source Knowledge
Selectivity platform
KinomeScan (DiscoverX)
Selectivity platform number of targets
468
Selectivity remarks
Screened at 100 nM, closest targets as % of contr.: LATS2 (0.7%), PRKACA (28%), PRKACB (36%), LATS1 (42%), PRKG1 (49%); Screened in Upstate kinase panel against 114 kinases at 10 µM, >250 fold selective, closest targets: IC50(NTRK1) = 252 nM, IC50(FLT3) = 303 nM, IC50(PKA) = 734 nM; Screened against 45 GPCR targets (PDSP screen), closest targets: Ki(OPRK1) = 187.33 nM, Ki(SIGMAR1) = 6765.5 nM; Screened in Eurofins-Panlabs radioligand binding assay against 63 targets at 10 µM, closest targets: Ki(SLC6A3) = 0.039 µM, Ki(DAT2) = 0.027 µM;
Selectivity Source Knowledge
Compound image 
L-Skepinone
Protein Kinase
MAPK14
IC50 = 5
IC50 = 13.6
Kinase set
1 µM
Compound EUbOPEN ID
EUB0000717a
SMILES
C1Cc2cc(ccc2C(c2cc(ccc12)OC[C@@H](CO)O)=O)Nc1ccc(cc1F)F
InChIKey
HXMGCTFLLWPVFM-GOSISDBHSA-N
NCBI gene ID
UniProt ID
Synonyms
PRKM14, p38, Mxi2, PRKM15
Mode of action
Inhibitor
Affinity biochemical assay type
ELISA (cell free)
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
NanoBRET assay (HEK293T cells)
Selectivity platform
KINOMEscan (DiscoverX)
Selectivity platform number of targets
403
Selectivity remarks
Screened at 1 µM, >1000-fold selective, off-targets with PoC <50%
Selectivity Source Knowledge
Compound image 
L-Skepinone
Protein Kinase
MAPK11
IC50 = 40.2
Kinase set
1 µM
Compound EUbOPEN ID
EUB0000717a
SMILES
C1Cc2cc(ccc2C(c2cc(ccc12)OC[C@@H](CO)O)=O)Nc1ccc(cc1F)F
InChIKey
HXMGCTFLLWPVFM-GOSISDBHSA-N
NCBI gene ID
UniProt ID
Synonyms
p38-2, p38Beta, SAPK2
Mode of action
Inhibitor
Affinity on-target cellular assay type
NanoBRET assay (HEK293T cells)
Selectivity platform
KINOMEscan (DiscoverX)
Selectivity platform number of targets
403
Selectivity remarks
Screened at 1 µM, >1000-fold selective, off-targets with PoC <50%
Selectivity Source Knowledge
Compound image 
FS-694
Protein Kinase
MAPK14
IC50 = 0.2
IC50 = 14.9
Kinase set
1 µM
Compound EUbOPEN ID
EUB0000718a
SMILES
C1Cc2cc(ccc2C(c2cc(ccc12)C(NCCN1CCOCC1)=O)=O)Nc1ccc(c(c1)NC(c1ccccc1)=O)F
InChIKey
JWZSSEWMVYKYKW-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
PRKM14, p38, Mxi2, PRKM15
Mode of action
Inhibitor
Negative control
FM-743
Affinity biochemical assay type
ELISA (cell free)
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
NanoBRET assay (HEK293T cells)
Selectivity platform
KinomeScan (DiscoverX)
Selectivity platform number of targets
441
Selectivity remarks
Screened at 1 µM off-targets with PoC <35%
Selectivity Source Knowledge
Compound image 
FS-694
Protein Kinase
MAPK11
IC50 = 16.9
Kinase set
1 µM
Compound EUbOPEN ID
EUB0000718a
SMILES
C1Cc2cc(ccc2C(c2cc(ccc12)C(NCCN1CCOCC1)=O)=O)Nc1ccc(c(c1)NC(c1ccccc1)=O)F
InChIKey
JWZSSEWMVYKYKW-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
p38-2, p38Beta, SAPK2
Mode of action
Inhibitor
Negative control
FM-743
Affinity on-target cellular assay type
NanoBRET assay (HEK293T cells)
Selectivity platform
KinomeScan (DiscoverX)
Selectivity platform number of targets
441
Selectivity remarks
Screened at 1 µM off-targets with PoC <35%
Selectivity Source Knowledge
Compound image 
TP_030_1
Protein Kinase
RIPK1
Ki = 3.9
Kinase set
100 nM
Compound EUbOPEN ID
EUB0000719a
SMILES
CN1C([C@@H](N2CCC3=CN(N=C3C2=O)CC4=CC=CC=C4)COC5=C1C=CC=C5)=O
InChIKey
MAHFVAHPQSLLJF-IBGZPJMESA-N
NCBI gene ID
UniProt ID
Synonyms
RIP
Mode of action
Allosteric inhibitor
Negative control
TP_030_n
Affinity biochemical assay type
TR-FRET binding assay (Invitrogen)
Affinity Biochemical Source Knowledge
Selectivity platform
Takeda global kinase panel
Selectivity platform number of targets
303
Selectivity remarks
Highly selective; screen against 45 GPCR targets, closest target: Ki(GABA/PBR) = 374.92 nM; clean in Eurofins-Panlabs radioligand binding assay, screen against 68 targets, at 10 µM
Selectivity Source Knowledge
Compound image 
TP_030_2
Protein Kinase
RIPK1
Ki = 0.43
Kinase set
100 nM
Compound EUbOPEN ID
EUB0000720a
SMILES
CN1C([C@@H](N2CCC3=C(Br)N(CC4=CC=CC=C4)N=C3C2=O)COC5=C1C=CC=C5)=O
InChIKey
KHVVJKLNKLQLJZ-SFHVURJKSA-N
NCBI gene ID
UniProt ID
Synonyms
RIP
Mode of action
Allosteric inhibitor
Negative control
TP_030_n
Affinity biochemical assay type
TR-FRET binding assay (Invitrogen)
Affinity Biochemical Source Knowledge
Selectivity platform
Takeda global kinase panel
Selectivity platform number of targets
303
Selectivity remarks
Highly selective; Screened against 45 GPCR targets (PDSP screen) at 10 µM, closest targets: Ki(GABA/PBR) = 346.58 nM, Ki(HTR2A) = 2071.02 nM, Ki(ADRA2A) = 2355.74 nM; Screened in Eurofins-Panlabs radioligand binding assay against 68 targets at 10 µM: closest target: HTR2B (63 % of contr.)
Selectivity Source Knowledge
Compound image 
RL2841
Protein Kinase
AKT1
Negative Control
Kinase set
1 µM
Compound EUbOPEN ID
EUB0000721a
SMILES
C=CC(=O)Nc1ccc2[nH]c(=O)n(C3CCN(C(=O)c4ccc(-c5nc6cc[nH]c(=O)c6cc5-c5ccccc5)cc4)CC3)c2c1
InChIKey
DOWXJKCQWFHDRU-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
RAC, PKB, PRKBA, AKT, RAC-alpha
Mode of action
Negative control for Borussertib
Affinity Biochemical Source Knowledge
Compound image 
RL2841
Protein Kinase
AKT2
Negative Control
Kinase set
1 µM
Compound EUbOPEN ID
EUB0000721a
SMILES
C=CC(=O)Nc1ccc2[nH]c(=O)n(C3CCN(C(=O)c4ccc(-c5nc6cc[nH]c(=O)c6cc5-c5ccccc5)cc4)CC3)c2c1
InChIKey
DOWXJKCQWFHDRU-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
PKBb
Mode of action
Negative control for Borussertib
Affinity Biochemical Source Knowledge
Compound image 
RL2841
Protein Kinase
AKT3
Negative Control
Kinase set
1 µM
Compound EUbOPEN ID
EUB0000721a
SMILES
C=CC(=O)Nc1ccc2[nH]c(=O)n(C3CCN(C(=O)c4ccc(-c5nc6cc[nH]c(=O)c6cc5-c5ccccc5)cc4)CC3)c2c1
InChIKey
DOWXJKCQWFHDRU-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
PKBG, RAC-gamma, PRKBG
Mode of action
Negative control for Borussertib
Affinity Biochemical Source Knowledge
Compound image 
NR187
Protein Kinase
CASK
Negative Control
Kinase set
1 µM
Compound EUbOPEN ID
EUB0000722a
SMILES
O=C(NCCCN1CCCC1=O)C2=CN=C(N(CC)CC3=CC=C(Cl)C=C3)N=C2NC4CCCC4
InChIKey
AYRUNBYNKCLGFI-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
LIN2, CAGH39, FGS4
Mode of action
Negative control for NR162
Affinity Biochemical Source Knowledge
Compound image 
NR162
Protein Kinase
CASK
Kd = 22
IC50 = 80
Kinase set
1 µM
Compound EUbOPEN ID
EUB0000723a
SMILES
O=C(NCCCN1CCOC1=O)C2=CN=C(NCC3=CC(Br)=CC=C3Br)N=C2NC4CCCC4
InChIKey
HOYFKJXFPMNFPM-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
LIN2, CAGH39, FGS4
Mode of action
Inhibitor
Negative control
NR187
Affinity biochemical assay type
ITC
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
NanoBRET assay (HEK293T cells)
Selectivity platform
KinomeScan (DiscoverX)
Selectivity platform number of targets
448
Selectivity remarks
Screened at 1 µM; 8 additional targets: AURKC, ABL1, RPS6KA6, PIKFYVE, ERBB3, RPS6KA5, LRRK2 and STK38L, initially identified, but confirmed as false positive by NanoBRET: closest targets: IC50(TYRO3) = 3.8 µM (47-fold selective), IC50(ERBB3) = 18.2 µM (227-fold selective), other targets >20 µM in NanoBRET assays.
Selectivity Source Knowledge
Compound image 
SGC-CLK-1 (UNC-CAF-170 )
Protein Kinase
CLK1
IC50 = 41
IC50 = 165
Kinase set
1 µM
Compound EUbOPEN ID
EUB0000724a
SMILES
COC1=NN2N=CC(C3=NC(NC4=CC(C(F)(F)F)=CC(OC)=C4)=NC=C3)=C2C=C1
InChIKey
GJYVLTPTDBQQCY-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Mode of action
Inhibitor
Negative control
SGC-CLK-1N (UNC-CAF-225 )
Affinity biochemical assay type
Binding assays (Luceome Biotechniology)
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
NanoBRET assay (HEK293T cells)
Selectivity platform
KinomeScan (DiscoverX)
Selectivity platform number of targets
468
Selectivity remarks
Screened at 1 µM, closest targets as % of contr.: MAPK15 (21%), HIPK1 (31%), HIPK2 (34%), NEK7 (40%), PIP5K2B (50%), STK16 (53%), S(35) = 0.02; Follow-up IC50s in cellular NanoBRET assays: IC50(HIPK1/2) >10 µM, IC50(STK16) = 167 nM (partial inhibition), others NA;
Selectivity Source Knowledge
Compound image 
SGC-CLK-1 (UNC-CAF-170 )
Protein Kinase
CLK2
IC50 = 36
IC50 = 70
Kinase set
1 µM
Compound EUbOPEN ID
EUB0000724a
SMILES
COC1=NN2N=CC(C3=NC(NC4=CC(C(F)(F)F)=CC(OC)=C4)=NC=C3)=C2C=C1
InChIKey
GJYVLTPTDBQQCY-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Mode of action
Inhibitor
Negative control
SGC-CLK-1N (UNC-CAF-225 )
Affinity biochemical assay type
Binding assays (Luceome Biotechniology)
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
NanoBRET assay (HEK293T cells)
Selectivity platform
KinomeScan (DiscoverX)
Selectivity platform number of targets
468
Selectivity remarks
Screened at 1 µM, closest targets as % of contr.: MAPK15 (21%), HIPK1 (31%), HIPK2 (34%), NEK7 (40%), PIP5K2B (50%), STK16 (53%), S(35) = 0.02; Follow-up IC50s in cellular NanoBRET assays: IC50(HIPK1/2) >10 µM, IC50(STK16) = 167 nM (partial inhibition), others NA;
Selectivity Source Knowledge
Compound image 
SGC-CLK-1 (UNC-CAF-170 )
Protein Kinase
CLK4
IC50 = 100
Kinase set
1 µM
Compound EUbOPEN ID
EUB0000724a
SMILES
COC1=NN2N=CC(C3=NC(NC4=CC(C(F)(F)F)=CC(OC)=C4)=NC=C3)=C2C=C1
InChIKey
GJYVLTPTDBQQCY-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Mode of action
Inhibitor
Negative control
SGC-CLK-1N (UNC-CAF-225 )
Affinity on-target cellular assay type
NanoBRET assay (HEK293T cells)
Selectivity platform
KinomeScan (DiscoverX)
Selectivity platform number of targets
468
Selectivity remarks
Screened at 1 µM, closest targets as % of contr.: MAPK15 (21%), HIPK1 (31%), HIPK2 (34%), NEK7 (40%), PIP5K2B (50%), STK16 (53%), S(35) = 0.02; Follow-up IC50s in cellular NanoBRET assays: IC50(HIPK1/2) >10 µM, IC50(STK16) = 167 nM (partial inhibition), others NA;
Selectivity Source Knowledge
Compound image 
BAY-694
MMP
MMP12
Negative Control
Protease set
100 nM
Compound EUbOPEN ID
EUB0000725a
SMILES
O=C(C1=C(N=N2)C=CC=C1)N2C[C@H]([C@H]3C(O)=O)CC[C@H]3C(C(C=C4)=CC=C4OCCC5CCOCC5)=O
InChIKey
ZGBAPSHWPBXEKN-QFZRFWILSA-N
NCBI gene ID
UniProt ID
Synonyms
MMP12, HME
Mode of action
Negative control for BAY-7598
Affinity Biochemical Source Knowledge
Compound image 
T-26f
MMP
MMP13
Negative Control
Protease set
100 nM
Compound EUbOPEN ID
EUB0000726a
SMILES
CN(Cc1ccccc1)Cc1csc2c1C(NC(C(NCc1cccc(c1)OC)=O)=N2)=O
InChIKey
FITQSJBSXMDHOS-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
MMP13
Mode of action
Negative control for T-26c
Affinity Biochemical Source Knowledge
Compound image 
BI-4395
MMP
MMP13
Negative Control
Protease set
100 nM
Compound EUbOPEN ID
EUB0000727a
SMILES
CN1C(C2=CC3=C(C=C2)NC=C3)=CC(C(NCC4=CC=C(C=C4)C(O)=O)=O)=N1
InChIKey
FOIUQQUDMFDDDC-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
MMP13
Mode of action
Negative control for BI-4394
Affinity Biochemical Source Knowledge
Compound image 
BAY-7598
MMP
MMP12
IC50 = 0.085
Protease set
100 nM
Compound EUbOPEN ID
EUB0000728a
SMILES
O=C(C1=C(N=N2)C=CC=C1)N2C[C@@H]([C@@H]3C(O)=O)CC[C@@H]3C(C(C=C4)=CC=C4OCCC5CCOCC5)=O
InChIKey
ZGBAPSHWPBXEKN-OPHFCASCSA-N
NCBI gene ID
UniProt ID
Synonyms
MMP12, HME
Mode of action
Inhibitor
Negative control
BAY-694
Affinity biochemical assay type
Biochemical assay (inhibition of human macrophage elastase (HME/hMMP-12), addition of 2% BSA)
Affinity Biochemical Source Knowledge
Selectivity platform
Lead profiling screen (Eurofins)
Selectivity platform number of targets
68
Selectivity remarks
Screened at 10 µM against 68 enzymes, transporters, GPCRs, ion chanels, closest targets: IC50(MMP2) = 44 nM, IC50(MMP10) = 13 nM, IC50(MMP8) = 15 nM, IC50(MMP13) = 67 nM, IC50(MMP14) = 250 nM, IC50(MMP3) = 360 nM, IC50(MMP9) = 460 nM, IC50(MMP7) = 600 nM, IC50(MMP16) = 940 nM; Screened against 468 kinases (KinomeScan DiscoverX) at 1 µM, closest targets as % of contr.: EGFR(S752-I759del) (40%), TYK2 (41%), PNCK (46%); Screened against 45 GPCR targets (PDSP screen) at 10 µM, closest target as % inhibition: DRD2 (30%)
Selectivity Source Knowledge
Compound image 
T-26c
MMP
MMP13
IC50 = 0.0069
Protease set
100 nM
Compound EUbOPEN ID
EUB0000729a
SMILES
COc1cccc(CNC(C2NC(c3c(COCc4ccc(cc4)C(O)=O)csc3N=2)=O)=O)c1
InChIKey
CDQRIIUMNLMHRH-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
MMP13
Mode of action
Inhibitor
Negative control
T-26f
Affinity biochemical assay type
Enzyme inhibition assay
Affinity Biochemical Source Knowledge
Selectivity platform
MMPs panel, literature
Selectivity platform number of targets
10
Selectivity remarks
>2600-fold selective over other MMPs: IC50(MMP1) >10 µM, IC50(MMP2) = 18 nM, IC50(MMP3) = 600 nM, IC50(MMP7) >10 µM, IC50(MMP8) = 780 nM, IC50(MMP9) >10 µM, IC50(MMP10) = 160 nM, IC50(MMP14) >10 mM, IC50(ADAM17) >10 µM; Screened against 468 kinases (KinomeScan DiscoverX) at 1 µM, closest targets as % of contr.: LRRK2 (43%), CDK4 (43.5%), FLT3(D835V) (44.2%), NTRK1 (46.7%); Screended against 45 GPCR targets (PDSP screen) at 10 µM, closest targets: Ki(HRH1) = 98 nM, Ki(TMEM97) = 4553 nM; Clean profile in MSD Pharma/Taiwan screen against 118 enzymes and receptors
Selectivity Source Knowledge
Compound image 
BI-4394
MMP
MMP13
IC50 = 1
Protease set
100 nM
Compound EUbOPEN ID
EUB0000730a
SMILES
CCOC(c1cc2cc(ccc2[nH]1)c1cc(C(NCc2ccc(cc2)C(O)=O)=O)nn1C)=O
InChIKey
MMJPVSDTLGFIQW-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
MMP13
Mode of action
Inhibitor
Negative control
BI-4395
Affinity biochemical assay type
FRET assay
Affinity Biochemical Source Knowledge
Selectivity platform
MMPs panel, literature
Selectivity platform number of targets
10
Selectivity remarks
Highly selective (> 1000-fold) against other matrix metalloproteinases (FRET assays): IC50(MMP1) >22 µM, IC50(MMP2) = 18 µM, IC50(MMP3) >22 µM, IC50(MMP7) >22 µM, IC50(MMP8) >22 µM, IC50(MMP9) = 8.9 µM, IC50(MMP10) = 16 µM, IC50(MMP12) >22 µM, IC50(MMP14) = 8.3 µM; Screened against 468 kinases (KinomeScan DiscoverX) at 100 nM, closest targets as % of contr.: CDK19 (0%), CDKL3 (0%), CDK3 (43%); Screened against 45 GPCR targets (PDSP screen) at 10 µM, closest targets: DRD5 (60% inhibition, Ki >10 µM); Screened against 56 targets (Invitrogen Panel) at 10 µM, closest targets: IC50(AURKA) = 1.3 µM, IC50(MAPKAPK2) = 1.1 µM, IC50(PRKAA1) = 1.9 µM, IC50(PRKACA) = 1.6 µM;
Selectivity Source Knowledge
Compound image 
PFI-6
YEATS
MLLT1
IC50 = 140
Epigenetic set
1 µM
Compound EUbOPEN ID
EUB0000731a
SMILES
O=C(N(C)C)C1=C(O)C=C(C2=CC(C(N[C@@H]3CCC4=C3C=CC=C4)=O)=NO2)C=C1
InChIKey
IXWUILRSNIQHDM-QGZVFWFLSA-N
NCBI gene ID
UniProt ID
Synonyms
ENL, LTG19, YEATS1
Mode of action
Inhibitor
Negative control
PFI-6N
Affinity biochemical assay type
HTRF-based inhibition assay
Affinity Biochemical Source Knowledge
Selectivity remarks
Selective in SGC bromodomain panel; Screened in Invitrogen kinase panel against 40 kinases at 10 µM, clean profile; No activity in a panel of 25 PDEs, ion channels and GPCRS, IC50 >50 µM; IC50(YEATS2/4) > 40 µM (HTRF assay);
Selectivity Source Knowledge
Compound image 
PFI-6
YEATS
MLLT3
IC50 = 160
IC50 = 760
Epigenetic set
1 µM
Compound EUbOPEN ID
EUB0000731a
SMILES
O=C(N(C)C)C1=C(O)C=C(C2=CC(C(N[C@@H]3CCC4=C3C=CC=C4)=O)=NO2)C=C1
InChIKey
IXWUILRSNIQHDM-QGZVFWFLSA-N
NCBI gene ID
UniProt ID
Synonyms
AF-9 AF9 YEATS3
Mode of action
Inhibitor
Negative control
PFI-6N
Affinity biochemical assay type
HTRF-based inhibition assay
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
NanoBRET assay (HEK293T cells)
Selectivity remarks
Selective in SGC bromodomain panel; Screened in Invitrogen kinase panel against 40 kinases at 10 µM, clean profile; No activity in a panel of 25 PDEs, ion channels and GPCRS, IC50 >50 µM; IC50(YEATS2/4) > 40 µM (HTRF assay);
Selectivity Source Knowledge
Compound image 
PFI-6N
YEATS
MLLT1
Negative Control
Epigenetic set
1 µM
Compound EUbOPEN ID
EUB0000732a
SMILES
O=C(N(C)C)C1=C(O)C=C(C2=CC(C(N(C)C3CCCC3)=O)=NO2)C=C1
InChIKey
CKEICVFLYGXFOP-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
ENL, LTG19, YEATS1
Mode of action
Negative control for PFI-6
Affinity Biochemical Source Knowledge
Compound image 
PFI-6N
YEATS
MLLT3
Negative Control
Epigenetic set
1 µM
Compound EUbOPEN ID
EUB0000732a
SMILES
O=C(N(C)C)C1=C(O)C=C(C2=CC(C(N(C)C3CCCC3)=O)=NO2)C=C1
InChIKey
CKEICVFLYGXFOP-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
AF-9 AF9 YEATS3
Mode of action
Negative control for PFI-6
Affinity Biochemical Source Knowledge
Compound image 
MSD-CYP11B2 negative control
P450
CYP11B2
Negative Control
Other targets
100 nM
Compound EUbOPEN ID
EUB0000733a
SMILES
FC(F)(F)C1=CC(N=C2C3=CN=CC=C3)=C(C=C1)N2C4CC4
InChIKey
RNBRMUYDOIRYOA-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
CYP11BL, CPN2, P-450C18, P450aldo, ALDOS
Mode of action
Negative control for MSD-CYP11B2
Affinity Biochemical Source Knowledge
Compound image 
GSK923295
Kinesin
CENPE
Ki = 2.2
Other targets
100 nM
Compound EUbOPEN ID
EUB0000734a
SMILES
O=C(C1=CC=C(OC(C)C)C(Cl)=C1)N[C@H](CNC(CN(C)C)=O)CC2=CC=C(C3=CN(C=CC=C4[C@H](C)O)C4=N3)C=C2
InChIKey
WHMXDBPHBVLYRC-OFVILXPXSA-N
NCBI gene ID
UniProt ID
Synonyms
CENP-E, KIF10, MCPH13, PPP1R61
Mode of action
Allosteric inhibitor
Affinity biochemical assay type
Enzyme inhibition assay
Affinity Biochemical Source Knowledge
Compound image 
BAY-678
Protease
ELANE
IC50 = 20
Protease set
1 µM
Compound EUbOPEN ID
EUB0000735a
SMILES
CC1=C(C(C)=O)[C@@H](c2ccc(C#N)nc2)NC(N1c1cccc(c1)C(F)(F)F)=O
InChIKey
PGIVGIFOWOVINL-GOSISDBHSA-N
NCBI gene ID
UniProt ID
Synonyms
ELANE, ELA2
Mode of action
Inhibitor
Negative control
BAY-677
Affinity biochemical assay type
Microtiter-based biochemical assay
Affinity Biochemical Source Knowledge
Selectivity platform
Serine protease panel, literature
Selectivity platform number of targets
21
Selectivity remarks
> 30-fold selective over 21 serine proteases (for all IC50 > 30 µM); Screened against 468 kinases (KinomeScan DiscoverX) at 1 µM, closest targets as % of contr.: RPS6KA4 (33.5%), PRKG1 (45.5%), PRKACB (48.7%); Screened against 45 GPCR targets (PSDP screen) at 10 µM, closest target: Ki(HRH3) = 3.07 µM, Ki(DTR1A) = 4.98 µM, Ki(ADRB1) = 5.45 µM; Radioligand binding assays (Lead Profiling Screen, Eurofins) against 64 receptors and transporters at 10 µM: > 30-fold selective
Selectivity Source Knowledge
Compound image 
A-108
Transferase
FNTB
Negative Control
Other targets
1 µM
Compound EUbOPEN ID
EUB0000736a
SMILES
CN1C=NC=C1[C@@](COC2=C(C3=CC=C(OC(F)(F)F)C=C3)C=C(C#N)C=C2)(C4=CC=C(C#N)C=C4)O
InChIKey
HEUVRFNVTLGKMZ-AREMUKBSSA-N
NCBI gene ID
UniProt ID
Synonyms
FNTB
Mode of action
Negative control for ABT-100
Affinity Biochemical Source Knowledge
Compound image 
BAY-677
Protease
ELANE
Negative Control
Protease set
1 µM
Compound EUbOPEN ID
EUB0000737a
SMILES
CC(=O)C1=C(C)N(C(=O)N[C@H]1c2ccc(nc2)C#N)c3cccc(c3)C(F)(F)F
InChIKey
PGIVGIFOWOVINL-SFHVURJKSA-N
NCBI gene ID
UniProt ID
Synonyms
ELANE, ELA2
Mode of action
Negative control for BAY-678
Affinity Biochemical Source Knowledge
Compound image 
BI 99990
Synthase
FASN
Negative Control
Other targets
1 µM
Compound EUbOPEN ID
EUB0000738a
SMILES
CCC(=O)N[C@@H]1CC[C@@H](C1)C(=O)N(C)c2ccc(cc2)c3oc4ccccc4n3
InChIKey
YNFDIGJKJPNFFD-DLBZAZTESA-N
NCBI gene ID
UniProt ID
Synonyms
FAS, OA-519, SDR27X1
Mode of action
Negative control for BI 99179
Affinity Biochemical Source Knowledge
Compound image 
GSM-NC
Protease
PSEN1@Protease
Negative Control
Protease set
1 µM
Compound EUbOPEN ID
EUB0000739a
SMILES
Cc1ccn(c2ccc(cc2OC)c2cn([C@H]3CCc4ccccc4N(CC(F)(F)F)C3=O)nn2)n1
InChIKey
LMWVEVSLAFDIRE-QFIPXVFZSA-N
NCBI gene ID
UniProt ID
Synonyms
ACNINV3, AD3, FAD, PS-1, PS1, S182
Mode of action
Negative control for GSM1
Affinity Biochemical Source Knowledge
Compound image 
BI-0153
PPi transporter
ALOX5AP
Negative Control
Other targets
100 nM
Compound EUbOPEN ID
EUB0000740a
SMILES
CN(C)C(Cn1cc(cn1)c1nc(C2(CC2)c2ccc(cc2)c2cnc(N)nc2)no1)=O
InChIKey
VAAPYECJHQQRAS-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
ALOX5AP, FLAP
Mode of action
Negative control for BI 665915
Affinity Biochemical Source Knowledge
Compound image 
GSI-NC
Protease
PSEN1@Protease
Negative Control
Protease set
100 nM
Compound EUbOPEN ID
EUB0000741a
SMILES
CC(C)(OC(N1CCCC1CN[C@@H]2CC[C@](c3c(F)ccc(F)c3)(S(c4ccc(Cl)cc4)(=O)=O)CC2)=O)C
InChIKey
TTWGDSSADVBNQY-LMGRWQENSA-N
NCBI gene ID
UniProt ID
Synonyms
ACNINV3, AD3, FAD, PS-1, PS1, S182
Mode of action
Negative control for MRK-560
Affinity Biochemical Source Knowledge
Compound image 
TP-021n
Apoptosis regulator
BCL6
Negative Control
Epigenetic set
1 µM
Compound EUbOPEN ID
EUB0000742a
SMILES
C(c1ccc(c(c1)[Cl])Nc1ccc2c(c1)NC(N2)=O)#N
InChIKey
BZXKWTWZOMZUEU-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
BCL6, BCL5, LAZ3, ZBTB27, ZNF51
Mode of action
Negative control for TP-021
Affinity Biochemical Source Knowledge
Compound image 
BAY-294
Guanine-nucleotide releasing factor
SOS1
Negative Control
Other targets
1 µM
Compound EUbOPEN ID
EUB0000743a
SMILES
CC1=NC(N[C@H](C2=CC(C3=CC=CC=C3CNC)=CS2)C)=C4C=C(OC)C(OC)=CC4=N1
InChIKey
WEGLOYDTDILXDA-HNNXBMFYSA-N
NCBI gene ID
UniProt ID
Synonyms
SOS1
Mode of action
Negative control for BAY-293
Affinity Biochemical Source Knowledge
Compound image 
THPP-1-NC
PDE
PDE10A
Negative Control
Other targets
100 nM
Compound EUbOPEN ID
EUB0000744a
SMILES
CC(CC(N1CCC2=C(C(N(CC3=CC=CC=C3)C)=NC(C4=CC=C(Br)C=C4)=N2)C1)=O)C
InChIKey
HVYWAAXJQNGKRV-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
PDE10A
Mode of action
Negative control for THPP-1
Affinity Biochemical Source Knowledge
Compound image 
IPP/CNRS-A019
Dehydrogenase
DHODH
Negative Control
Other targets
100 nM
Compound EUbOPEN ID
EUB0000745a
SMILES
CC(OC1=NN(C2=NC=C(C3CC3)C=C2)C(C)=C1OC4=CC=C(F)C=C4)C
InChIKey
RDNHAVKDNYIJLE-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
DHODH
Mode of action
Negative control for IPP/CNRS-A017
Affinity Biochemical Source Knowledge
Compound image 
A-1210227
Apoptosis regulator
BCL2
Negative Control
Other targets
1 µM
Compound EUbOPEN ID
EUB0000746a
SMILES
C1COCCC1CNc1ccc(cc1[N+]([O-])=O)S(NC(c1ccc(cc1Oc1cc2cc[nH]c2nc1)N1CCN(CC1)Cc1ccc(cc1c1ccc(cc1)[Cl])C(F)(F)F)=O)(=O)=O
InChIKey
MIVWTBCJCNWAEJ-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
BCL2
Mode of action
Negative control for A-1211212
Affinity Biochemical Source Knowledge
Compound image 
NVS-MALT1-C
Protease
MALT1
Negative Control
Other targets
1 µM
Compound EUbOPEN ID
EUB0000747a
SMILES
C[C@H](OC)C1=C(NC2=CC=C([C@@H](N(C(C3CCS(CC3)(=O)=O)=O)C)C(F)(F)F)C=C2)C=NC4=CC(Cl)=NN14
InChIKey
NVGROBHDOYRPAN-RCDICMHDSA-N
NCBI gene ID
UniProt ID
Synonyms
MALT1, MLT
Mode of action
Negative control for NVS-MALT1
Affinity Biochemical Source Knowledge
Compound image 
BAY-070
Dehydrogenase
NDUFS2
Negative Control
Other targets
1 µM
Compound EUbOPEN ID
EUB0000748a
SMILES
CN1C2=C(C=CC=C2)N=C1C3=CSC(C4CCN(CC4)CC5=NC6N=CC=CC6N5)=N3
InChIKey
NSXFCOAQTRXPAW-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
CI-49, MC1DN6
Mode of action
Negative control for BAY-179
Affinity Biochemical Source Knowledge
Compound image 
BI-665915
PPi transporter
ALOX5AP
IC50 = 1.7
Other targets
100 nM
Compound EUbOPEN ID
EUB0000749a
SMILES
C[C@@](C1CC1)(c1ccc(cc1)c1cnc(N)nc1)c1nc(c2cnn(CC(N(C)C)=O)c2)on1
InChIKey
QGPXEIMWTKWHMH-DEOSSOPVSA-N
NCBI gene ID
UniProt ID
Synonyms
ALOX5AP, FLAP
Mode of action
Inhibitor
Negative control
BI-0153
Affinity biochemical assay type
Binding assay (measuring radio-labeled ligand [125I]-L-691831(PE NEX084) displacement)
Affinity Biochemical Source Knowledge
Selectivity remarks
No closely related mammalian protein known; Screened against 468 kinases (KinomeScan DiscoverX) at 1 µM, closest targets as % of contr.: ABL1(Q252H)-nonphosphorylated (0%), GRK7 (0%), CHUK (0%), PK5 (0%), JAK1 (33%), PRKCE (44%); Screened against 546 targets (Invitrogen kinase panel) at 3 µM: all kinases showed < 30% inhibition; Screened against 68 targets (Eurofins-Panlabs panel) at 10 µM: clean profile; Screened against 137 targets in CEREP screen at 20 µM, closest targets as % inhibition: FLT1 (64%), ABL1 (67%); Screened against 45 GPCR targets (PDSP screen) at 10 µM, closest target as % of inhibition: SLC6A3 (61%);
Selectivity Source Knowledge
Compound image 
MRK-560
Protease
PSEN1@Protease
IC50 = 0.65
Protease set
100 nM
Compound EUbOPEN ID
EUB0000750a
SMILES
O=S([C@]1(C2=C(C=CC(F)=C2)F)CC[C@H](NS(C(F)(F)F)(=O)=O)CC1)(C3=CC=C(Cl)C=C3)=O
InChIKey
WDZVWDXOIGQJIO-UJKQEGAGSA-N
NCBI gene ID
UniProt ID
Synonyms
ACNINV3, AD3, FAD, PS-1, PS1, S182
Mode of action
Inhibitor
Negative control
GSI-NC
Affinity biochemical assay type
Radioligand binding assay for APP as target
Affinity Biochemical Source Knowledge
Selectivity platform
Enzyme and Receptor panel (MSD Pharma/Taiwan)
Selectivity platform number of targets
171
Selectivity remarks
No near family aspartyl proteases detected, closest target: IC50(SLC18A2) = 213 nM, 6 additional targets between 2-10 µM; Screened against 468 kinases (KinomeScan DiscoverX) at 1 µM, closest targets as % of contr.: CIT (0%), EGFR (0%), IKBKE (0%), LATS2 (0%), AKT1 (5%), PIK3CA(C420R) (36%); Screened against 45 GPCR targets (PDSP screen) at 10 µM, closest target: Ki(SLC6A3) = 3137 nM;
Selectivity Source Knowledge
Compound image 
THPP-1
PDE
PDE10A
Ki = 0.99
IC50 = 49
Other targets
100 nM
Compound EUbOPEN ID
EUB0000751a
SMILES
COCCOC1=NC(C2=CC=C(Cl)N=C2)=NC3=C1CN(C(C4=C5C=CC=CN5C=N4)=O)CC3
InChIKey
JBHLOPKIPKTRSU-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
PDE10A
Mode of action
Inhibitor
Negative control
THPP-1-NC
Affinity biochemical assay type
Fluorescence polarization assay
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
Cell-based assay
Selectivity platform
PDE panel, literature
Selectivity platform number of targets
11
Selectivity remarks
Targets tested in PDE activity assays, closest targets: Ki(PDE6) = 44 nM (44-fold selective), Ki(PDE5A) = 116 nM (116-fold selective), Ki(PDE298) = 298 nM (300-fold selective), others >1000-fold selective
Selectivity Source Knowledge
Compound image 
BAY-179
Dehydrogenase
NDUFS2
IC50 = 79
Other targets
1 µM
Compound EUbOPEN ID
EUB0000752a
SMILES
N1(CC2=NC3=C(C=CC=N3)N2)CCC(c4scc(c(c5)oc6c5cccc6)n4)CC1
InChIKey
JOCPQSJABURDDD-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
CI-49, MC1DN6
Mode of action
Inhibitor
Negative control
BAY-070
Affinity on-target cellular assay type
Cellular activity assay (measurement of ATP levels in presence of complex II substrate succinate in H1299 cells)
Selectivity remarks
Biochemical bovine OxPhos activity assay: >30 µM for Complex 2, 3, 4 and 5; Screened against 45 GPCR targets (PDSP screen) at 10 µM, closest targets:Ki(HTR2B) = 558.19 nM, Ki(TMEM97) = 1118.32 nM, Ki(SIGMAR1) = 1179.84 nM, Ki(ADRA2C) = 3499.92 nM; Screened in Eurofins-CEREP, GPCR panel at 10 µM, closest target as % inhibition: HTR2B (73.5%); Selectivity > 500 fold against numerous kinases tested;
Selectivity Source Knowledge
Compound image 
GSM1
Protease
PSEN1@Protease
Protease set
1 µM
Compound EUbOPEN ID
EUB0000753a
SMILES
Cc1ncn(c2ccc(c3cn([C@@H]4C(N(c5cccc(F)c5CC4)CC(F)(F)F)=O)nn3)cc2OC)c1
InChIKey
AAHNBILIYONQLX-QFIPXVFZSA-N
NCBI gene ID
UniProt ID
Synonyms
ACNINV3, AD3, FAD, PS-1, PS1, S182
Mode of action
Allosteric modulator
Negative control
GSM-NC
Selectivity platform
Enzyme and Receptor panel (MSD Pharma/Taiwan)
Selectivity platform number of targets
165
Selectivity remarks
No near family aspartyl proteases, closest targets: IC50(SLC6A4) = 13 nM, IC50(SLC6A3) = 536 nM, IC50(Na channel site 2) = 1000 nM; Screened against 468 kinases (KinomeScan DiscoverX) at 1 µM, closest targets as % of contr.: ACVR2A (0%), EGFR (0%), MAP4K4 (0%), MAP4K5 (5.8%); Screened against 45 GPCR targets (PDSP screen) at 10 µM, closest targets: Ki(SLC6A4) = 24 nM, Ki(SLC6A3) = 191 nM, Ki(SLC6A2) = 808 nM;
Selectivity Source Knowledge
Compound image 
Leniolisib
Protein Kinase
PIK3CD
IC50 = 11
Kinase set
1 µM
Compound EUbOPEN ID
EUB0000877a
SMILES
COC1=NC=C(N2CC(C(N[C@H]3CCN(C(CC)=O)C3)=NC=N4)=C4CC2)C=C1C(F)(F)F
InChIKey
MWKYMZXCGYXLPL-ZDUSSCGKSA-N
NCBI gene ID
UniProt ID
Synonyms
p110D
Mode of action
Inhibitor
Affinity biochemical assay type
Adapta™ TR-FRET assay
Affinity Biochemical Source Knowledge
Selectivity platform
KinomeScan (DiscoverX)
Selectivity platform number of targets
442
Selectivity remarks
Screened at 10 µM, closest targets as % of contr.: RPS6KA5 (76%); Screened against 50 related targets (GPCRs, ion channels, transporters): in-vitro potency of closest targets IC50(hPDE4D) = 4.7 µM, IC50(5HT2B) = 7.7 µM; No activity when tested against CYP isoforms (CYP3A3, CYP2D9, CYP2D6,CYP2C9)
Selectivity Source Knowledge
Compound image 
640
Protein Kinase
PNCK
IC50 = 3
IC50 = 8.2
Kinase set
100 nM
Compound EUbOPEN ID
EUB0000878a
SMILES
CC(C)c1cc(Nc2nc(N3CCC[C@H](N)C3)ncc2C(N)=O)cc(C(C)C)n1
InChIKey
BWBUPDTUXQDHSX-AWEZNQCLSA-N
NCBI gene ID
UniProt ID
Synonyms
MGC45419, CaMK1b
Mode of action
Inhibitor
Negative control
CS640s
Affinity biochemical assay type
Enzymatic assay (Reaction Biology)
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
NanoBRET assay (in HEK293T cells)
Affinity on-target cellular source knowledge
Selectivity platform
KinomeScan (DiscoverX)
Selectivity platform number of targets
450
Selectivity remarks
Screened at 1 µM, closest targets as % of control: PIP5K1C (0%), MEK5 (0.95%), RIPK4 (4.5%), MLK3 (99%); In-vitro potency of closest targets (enzymatic assay, Reaction Biology): IC50(PIP5K1C) = 11 µM, IC50(MEK5) = 0.025 µM, IC50(RIPK4) = 5.69 µM, IC50(MLK3) = 2.75 µM, https://pubs.acs.org/doi/10.1021/acs.jmedchem.9b01803#; Screened at 10 µM in Eurofins Cerep-Panlabs Safety Screen 44 (GPCRS, Transporters, Ion Channels, Nuclear Receptors, other enzymes), closest targets as % of inhibition or stimulation: dopamine transporter (100%), hERG channel (89%), norepinephrine transporter (87%), M1 (84%), M2(70%), M3(74%), acetylcholinesterase (84%), https://www.thesgc.org/chemical-probes/cs-640;
Selectivity Source Knowledge
Compound image 
640
Protein Kinase
CAMK1D
IC50 = 8
IC50 = 29
Kinase set
100 nM
Compound EUbOPEN ID
EUB0000878a
SMILES
CC(C)c1cc(Nc2nc(N3CCC[C@H](N)C3)ncc2C(N)=O)cc(C(C)C)n1
InChIKey
BWBUPDTUXQDHSX-AWEZNQCLSA-N
NCBI gene ID
UniProt ID
Synonyms
CKLiK
Mode of action
Inhibitor
Negative control
CS640s
Affinity biochemical assay type
Enzymatic assay (Reaction Biology)
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
NanoBRET assay (in HEK293T cells)
Affinity on-target cellular source knowledge
Selectivity platform
KinomeScan (DiscoverX)
Selectivity platform number of targets
450
Selectivity remarks
Screened at 1 µM, closest targets as % of control: PIP5K1C (0%), MEK5 (0.95%), RIPK4 (4.5%), MLK3 (99%); In-vitro potency of closest targets (enzymatic assay, Reaction Biology): IC50(PIP5K1C) = 11 µM, IC50(MEK5) = 0.025 µM, IC50(RIPK4) = 5.69 µM, IC50(MLK3) = 2.75 µM, https://pubs.acs.org/doi/10.1021/acs.jmedchem.9b01803#; Screened at 10 µM in Eurofins Cerep-Panlabs Safety Screen 44 (GPCRS, Transporters, Ion Channels, Nuclear Receptors, other enzymes), closest targets as % of inhibition or stimulation: dopamine transporter (100%), hERG channel (89%), norepinephrine transporter (87%), M1 (84%), M2(70%), M3(74%), acetylcholinesterase (84%), https://www.thesgc.org/chemical-probes/cs-640;
Selectivity Source Knowledge
Compound image 
640
Protein Kinase
CAMK1G
IC50 = 1
IC50 = 55
Kinase set
100 nM
Compound EUbOPEN ID
EUB0000878a
SMILES
CC(C)c1cc(Nc2nc(N3CCC[C@H](N)C3)ncc2C(N)=O)cc(C(C)C)n1
InChIKey
BWBUPDTUXQDHSX-AWEZNQCLSA-N
NCBI gene ID
UniProt ID
Synonyms
VWS1, CLICKIII, dJ272L16.1
Mode of action
Inhibitor
Negative control
CS640s
Affinity biochemical assay type
Enzymatic assay (Reaction Biology)
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
NanoBRET assay (in HEK293T cells)
Affinity on-target cellular source knowledge
Selectivity platform
KinomeScan (DiscoverX)
Selectivity platform number of targets
450
Selectivity remarks
Screened at 1 µM, closest targets as % of control: PIP5K1C (0%), MEK5 (0.95%), RIPK4 (4.5%), MLK3 (99%); In-vitro potency of closest targets (enzymatic assay, Reaction Biology): IC50(PIP5K1C) = 11 µM, IC50(MEK5) = 0.025 µM, IC50(RIPK4) = 5.69 µM, IC50(MLK3) = 2.75 µM, https://pubs.acs.org/doi/10.1021/acs.jmedchem.9b01803#; Screened at 10 µM in Eurofins Cerep-Panlabs Safety Screen 44 (GPCRS, Transporters, Ion Channels, Nuclear Receptors, other enzymes), closest targets as % of inhibition or stimulation: dopamine transporter (100%), hERG channel (89%), norepinephrine transporter (87%), M1 (84%), M2(70%), M3(74%), acetylcholinesterase (84%), https://www.thesgc.org/chemical-probes/cs-640;
Selectivity Source Knowledge
Compound image 
640
Protein Kinase
CAMK1
IC50 = 1
IC50 = 23
Kinase set
100 nM
Compound EUbOPEN ID
EUB0000878a
SMILES
CC(C)c1cc(Nc2nc(N3CCC[C@H](N)C3)ncc2C(N)=O)cc(C(C)C)n1
InChIKey
BWBUPDTUXQDHSX-AWEZNQCLSA-N
NCBI gene ID
UniProt ID
Synonyms
CaMKI, CaMKI-alpha
Mode of action
Inhibitor
Negative control
CS640s
Affinity biochemical assay type
Enzymatic assay (Reaction Biology)
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
NanoBRET assay (in HEK293T cells)
Affinity on-target cellular source knowledge
Selectivity platform
KinomeScan (DiscoverX)
Selectivity platform number of targets
450
Selectivity remarks
Screened at 1 µM, closest targets as % of control: PIP5K1C (0%), MEK5 (0.95%), RIPK4 (4.5%), MLK3 (99%); In-vitro potency of closest targets (enzymatic assay, Reaction Biology): IC50(PIP5K1C) = 11 µM, IC50(MEK5) = 0.025 µM, IC50(RIPK4) = 5.69 µM, IC50(MLK3) = 2.75 µM, https://pubs.acs.org/doi/10.1021/acs.jmedchem.9b01803#; Screened at 10 µM in Eurofins Cerep-Panlabs Safety Screen 44 (GPCRS, Transporters, Ion Channels, Nuclear Receptors, other enzymes), closest targets as % of inhibition or stimulation: dopamine transporter (100%), hERG channel (89%), norepinephrine transporter (87%), M1 (84%), M2(70%), M3(74%), acetylcholinesterase (84%), https://www.thesgc.org/chemical-probes/cs-640;
Selectivity Source Knowledge
Compound image 
MSC2705360A
Protein Kinase
SRPK2
IC50 > 10000
IC50 > 50000
Kinase set
1 µM
Compound EUbOPEN ID
EUB0001046a
SMILES
Clc4cc1c([nH]c(c1)-c2nc(ccn2)NCc3c(nccc3)N(S(=O)(=O)C)C)cc4
InChIKey
MXAVRMOXZMBKGE-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
SFRSK2
Mode of action
Negative control for MSC2711186A
Affinity biochemical assay type
Biochemical activity assay (Reaction Biology)
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
NanoBRET assay (in HEK293T cells, lysed mode)
Affinity on-target cellular source knowledge
Compound image 
MSC2705360A
Protein Kinase
SRPK3
IC50 = 3500
IC50 = 9962
Kinase set
1 µM
Compound EUbOPEN ID
EUB0001046a
SMILES
Clc4cc1c([nH]c(c1)-c2nc(ccn2)NCc3c(nccc3)N(S(=O)(=O)C)C)cc4
InChIKey
MXAVRMOXZMBKGE-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
MSSK1
Mode of action
Negative control for MSC2711186A
Affinity biochemical assay type
Biochemical activity assay (Reaction Biology)
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
NanoBRET assay (in HEK293T cells, lysed mode)
Affinity on-target cellular source knowledge
Compound image 
MSC2705360A
Protein Kinase
SRPK1
IC50 > 10000
IC50 > 50000
Kinase set
1 µM
Compound EUbOPEN ID
EUB0001046a
SMILES
Clc4cc1c([nH]c(c1)-c2nc(ccn2)NCc3c(nccc3)N(S(=O)(=O)C)C)cc4
InChIKey
MXAVRMOXZMBKGE-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
SFRSK1
Mode of action
Negative control for MSC2711186A
Affinity biochemical assay type
Biochemical activity assay (Reaction Biology)
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
NanoBRET assay (in HEK293T cells, lysed mode)
Affinity on-target cellular source knowledge
Compound image 
MSC2711186A
Protein Kinase
SRPK1
IC50 = 2.7
IC50 = 44
Kinase set
1 µM
Compound EUbOPEN ID
EUB0001048a
SMILES
Fc2c1nc([nH]c1ccc2Cl)-c3nc(ccn3)NCc4c(nccc4)N(S(=O)(=O)C)C
InChIKey
WBFJDKLBAAHKIL-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
SFRSK1
Mode of action
Inhibitor
Negative control
MSC2705360A
Affinity biochemical assay type
Biochemical activity assay (Reaction Biology)
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
NanoBRET assay (in HEK293T cells, lysed mode)
Affinity on-target cellular source knowledge
Selectivity platform
Kinome Scan (Reaction Biology)
Selectivity platform number of targets
395
Selectivity remarks
Screened at 1 µM, closest targets as % of control: STK2 (3.83%), SRPK1 (8.76%), SRPK2 (13.94%), PIM1 (54.68%), PKCe(55.07%), PKN1(55.56%); In-vitro potency of closest targets (Radioactive assay, Reaction Biology): IC50(CLK1) >10 µM, IC50(CLK2) >10 µM, IC50(CLK3) >10 µM, IC50(CLK4) >10 µM, IC50(DYRK1A) >10 µM, IC50(DYRK1B) >10 µM, IC50(DYRK2) >10 µM, IC50(DYRK3) >10 µM, https://pubs.acs.org/doi/full/10.1021/acs.jmedchem.2c01705#;
Selectivity Source Knowledge
Compound image 
MSC2711186A
Protein Kinase
SRPK2
IC50 = 81
IC50 = 149
Kinase set
1 µM
Compound EUbOPEN ID
EUB0001048a
SMILES
Fc2c1nc([nH]c1ccc2Cl)-c3nc(ccn3)NCc4c(nccc4)N(S(=O)(=O)C)C
InChIKey
WBFJDKLBAAHKIL-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
SFRSK2
Mode of action
Inhibitor
Negative control
MSC2705360A
Affinity biochemical assay type
Biochemical activity assay (Reaction Biology)
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
NanoBRET assay (in HEK293T cells, lysed mode)
Affinity on-target cellular source knowledge
Selectivity platform
Kinome Scan (Reaction Biology)
Selectivity platform number of targets
395
Selectivity remarks
Screened at 1 µM, closest targets as % of control: STK2 (3.83%), SRPK1 (8.76%), SRPK2 (13.94%), PIM1 (54.68%), PKCe(55.07%), PKN1(55.56%); In-vitro potency of closest targets (Radioactive assay, Reaction Biology): IC50(CLK1) >10 µM, IC50(CLK2) >10 µM, IC50(CLK3) >10 µM, IC50(CLK4) >10 µM, IC50(DYRK1A) >10 µM, IC50(DYRK1B) >10 µM, IC50(DYRK2) >10 µM, IC50(DYRK3) >10 µM, https://pubs.acs.org/doi/full/10.1021/acs.jmedchem.2c01705#;
Selectivity Source Knowledge
Compound image 
MSC2711186A
Protein Kinase
SRPK3
IC50 = 0.59
IC50 = 20
Kinase set
1 µM
Compound EUbOPEN ID
EUB0001048a
SMILES
Fc2c1nc([nH]c1ccc2Cl)-c3nc(ccn3)NCc4c(nccc4)N(S(=O)(=O)C)C
InChIKey
WBFJDKLBAAHKIL-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
MSSK1
Mode of action
Inhibitor
Negative control
MSC2705360A
Affinity biochemical assay type
Biochemical activity assay (Reaction Biology)
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
NanoBRET assay (in HEK293T cells, lysed mode)
Affinity on-target cellular source knowledge
Selectivity platform
Kinome Scan (Reaction Biology)
Selectivity platform number of targets
395
Selectivity remarks
Screened at 1 µM, closest targets as % of control: STK2 (3.83%), SRPK1 (8.76%), SRPK2 (13.94%), PIM1 (54.68%), PKCe(55.07%), PKN1(55.56%); In-vitro potency of closest targets (Radioactive assay, Reaction Biology): IC50(CLK1) >10 µM, IC50(CLK2) >10 µM, IC50(CLK3) >10 µM, IC50(CLK4) >10 µM, IC50(DYRK1A) >10 µM, IC50(DYRK1B) >10 µM, IC50(DYRK2) >10 µM, IC50(DYRK3) >10 µM, https://pubs.acs.org/doi/full/10.1021/acs.jmedchem.2c01705#;
Selectivity Source Knowledge
Compound image 
SGC-CLK-1N
Protein Kinase
CLK1
IC50 > 10000
IC50 > 10000
Kinase set
1 µM
Compound EUbOPEN ID
EUB0001049a
SMILES
COC1=NN2N=CC(C3=NC(NC4=CC(C(F)(F)F)=CC(OC)=C4)=NC(C)=C3)=C2C=C1
InChIKey
BJVQXSHZMUFJBQ-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Mode of action
Negative control for SGC-CLK-1 (UNC-CAF-170 )
Affinity biochemical assay type
Enzymatic assay (Eurofins)
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
NanoBRET assay (in HEK293T cells)
Affinity on-target cellular source knowledge
Selectivity platform
KinomeScan (DiscoverX)
Selectivity platform number of targets
403
Selectivity remarks
Screened at 1 µM, no kinases with <45% of control; In-vitro potency (Eurofins Enzymatic assay): IC50(CLK3) >10 µM, IC50(DYRK1A) >10 µM, IC50(DYRK1B) >10 µM, IC50(DYRK2) >10 µM, IC50(DYRK3) >10 µM, IC50(HIPK1) >10 µM, IC50(HIPK2) >10 µM, IC50(HIPK3) >10µM, IC50(HIPK4) >10 µM, IC50(PIM2) >10 µM, https://www.thesgc.org/chemical-probes/SGC-CLK-1;
Selectivity Source Knowledge
Compound image 
SGC-CLK-1N
Protein Kinase
CLK2
IC50 > 10000
IC50 > 10000
Kinase set
1 µM
Compound EUbOPEN ID
EUB0001049a
SMILES
COC1=NN2N=CC(C3=NC(NC4=CC(C(F)(F)F)=CC(OC)=C4)=NC(C)=C3)=C2C=C1
InChIKey
BJVQXSHZMUFJBQ-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Mode of action
Negative control for SGC-CLK-1 (UNC-CAF-170 )
Affinity biochemical assay type
Enzymatic assay (Eurofins)
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
NanoBRET assay (in HEK293T cells)
Affinity on-target cellular source knowledge
Selectivity platform
KinomeScan (DiscoverX)
Selectivity platform number of targets
403
Selectivity remarks
Screened at 1 µM, no kinases with <45% of control; In-vitro potency (Eurofins Enzymatic assay): IC50(CLK3) >10 µM, IC50(DYRK1A) >10 µM, IC50(DYRK1B) >10 µM, IC50(DYRK2) >10 µM, IC50(DYRK3) >10 µM, IC50(HIPK1) >10 µM, IC50(HIPK2) >10 µM, IC50(HIPK3) >10µM, IC50(HIPK4) >10 µM, IC50(PIM2) >10 µM, https://www.thesgc.org/chemical-probes/SGC-CLK-1;
Selectivity Source Knowledge
Compound image 
SGC-CLK-1N
Protein Kinase
CLK4
IC50 > 10000
Kinase set
1 µM
Compound EUbOPEN ID
EUB0001049a
SMILES
COC1=NN2N=CC(C3=NC(NC4=CC(C(F)(F)F)=CC(OC)=C4)=NC(C)=C3)=C2C=C1
InChIKey
BJVQXSHZMUFJBQ-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Mode of action
Negative control for SGC-CLK-1 (UNC-CAF-170 )
Affinity biochemical assay type
Enzymatic assay (Eurofins)
Affinity Biochemical Source Knowledge
Selectivity platform
KinomeScan (DiscoverX)
Selectivity platform number of targets
403
Selectivity remarks
Screened at 1 µM, no kinases with <45% of control; In-vitro potency (Eurofins Enzymatic assay): IC50(CLK3) >10 µM, IC50(DYRK1A) >10 µM, IC50(DYRK1B) >10 µM, IC50(DYRK2) >10 µM, IC50(DYRK3) >10 µM, IC50(HIPK1) >10 µM, IC50(HIPK2) >10 µM, IC50(HIPK3) >10µM, IC50(HIPK4) >10 µM, IC50(PIM2) >10 µM, https://www.thesgc.org/chemical-probes/SGC-CLK-1;
Selectivity Source Knowledge
Compound image 
BI-3017
Hydrolase
ENPP2
IC50 = 8900
Other targets
1 µM
Compound EUbOPEN ID
EUB0001066a
SMILES
CC1=NC(COC(N2C[C@H]3[C@H](CNC(C4=CC5=C(C=C4)NN=N5)=O)[C@H]3C2)=O)=CC=N1
InChIKey
ZDITZGRCUFFQRS-PHZGNYQRSA-N
NCBI gene ID
UniProt ID
Synonyms
ENPP2, ATX, PDNP2
Mode of action
Negative control for BI-2545
Affinity biochemical assay type
Biochemical assay (LPA measurement)
Affinity Biochemical Source Knowledge
Selectivity platform
KinomeScan (DiscoverX)
Selectivity platform number of targets
468
Selectivity remarks
Screened at 1 µM, closest targets as % of contr.: PIM2 (0%), VRK2 (29%), KIT(V55D,V654A) (41%), NLK (41%); Screened at 10 µM against 45 GPCRs (PDPS screen), closest targets as % of inhibition: HTR1E (31.76%), HTR2C (31.08%), ADRA1B (30.19%);
Selectivity Source Knowledge
Compound image 
FM-743
Protein Kinase
MAPK11
IC50 = 16200
Kinase set
1 µM
Compound EUbOPEN ID
EUB0001068a
SMILES
O=C(C1=CC=CC=C1)N(C)C1=C(F)C=CC(N(C)C2C=CC(=C(C=2)CC2)C(C(=C23)C=C(C(NCCN2CCOCC2)=O)C=C3)=O)=C1
InChIKey
RHXKLUBQGQKHCH-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
p38-2, p38Beta, SAPK2
Mode of action
Negative control for FS-694 and L-Skepinone
Affinity on-target cellular assay type
NanoBRET assay (HEK293T cells)
Affinity on-target cellular source knowledge
Selectivity platform
KinomeScan (DiscoverX)
Selectivity platform number of targets
468
Selectivity remarks
Screened at 1 µM, closest targets as % of control: NEK1(45%), STK38L (47%), BMX(50%)
Selectivity Source Knowledge
Compound image 
FM-743
Protein Kinase
MAPK14
IC50 = 11300
Kinase set
1 µM
Compound EUbOPEN ID
EUB0001068a
SMILES
O=C(C1=CC=CC=C1)N(C)C1=C(F)C=CC(N(C)C2C=CC(=C(C=2)CC2)C(C(=C23)C=C(C(NCCN2CCOCC2)=O)C=C3)=O)=C1
InChIKey
RHXKLUBQGQKHCH-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
PRKM14, p38, Mxi2, PRKM15
Mode of action
Negative control for FS-694 and L-Skepinone
Affinity on-target cellular assay type
NanoBRET assay (HEK293T cells)
Affinity on-target cellular source knowledge
Selectivity platform
KinomeScan (DiscoverX)
Selectivity platform number of targets
468
Selectivity remarks
Screened at 1 µM, closest targets as % of control: NEK1(45%), STK38L (47%), BMX(50%)
Selectivity Source Knowledge
Compound image 
GSK106
Hydrolase
PADI4
IC50 > 100000
Other targets
1 µM
Compound EUbOPEN ID
EUB0001070aCl
SMILES
CCn1c(-c2nc3cc(C(=O)N4CC[C]C(N)C4)ccc3n2C)cc2ccccc21.[Cl]
InChIKey
PLCVQSIOQUTHPT-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
PAD, PAD4, PADI5, PDI4, PDI5
Mode of action
Negative control for GSK484
Affinity biochemical assay type
Fluorescence polarization binding assay (0 mM Ca)
Affinity Biochemical Source Knowledge
Compound image 
GSK484
Hydrolase
PADI4
IC50 = 50
Other targets
1 µM
Compound EUbOPEN ID
EUB0001071aCl
SMILES
COc1cc(C(=O)N2CC[C@@H](O)[C@@H](N)C2)cc2nc(-c3cc4ccccc4n3CC3CC3)n(C)c12.Cl
InChIKey
MULKOGJHUZTANI-ADMBKAPUSA-N
NCBI gene ID
UniProt ID
Synonyms
PAD, PAD4, PADI5, PDI4, PDI5
Mode of action
Inhibitor
Negative control
GSK106
Affinity biochemical assay type
Fluorescence polarization binding assay (0 mM Ca)
Affinity Biochemical Source Knowledge
Selectivity platform
Panel of kinases, GPCRs, ion channels and transporters (literature)
Selectivity platform number of targets
50
Selectivity remarks
Various assays types used, i.e. TR-FRET, Luminescence assay, FLINT, Electrophysiological assay, LEADseeker SPA; No activation across HDACs 1–11 at 100 μM; Selective for PADI4 over PADI1-3 (tested with recombinant enzymes and cell lysates).
Selectivity Source Knowledge
Compound image 
KISS1-543
GPCR
KISS1R
GPCR set
1 µM
Compound EUbOPEN ID
EUB0001072a
SMILES
CC(C[C@H](NC(NNC([C@@H](NC([C@@H](NC([C@@H](NC([C@H](NC([C@H](N)Cc1ccc(O)cc1)=O)CC2=CC=NC=C2)=O)CC(N)=O)=O)CO)=O)Cc3ccccc3)=O)=O)C(N[C@H](C(N[C@@H](CC4=CC=CC=C4)C(NCC)=O)=O)CCCNC(NC)=N)=O)C
InChIKey
KSPGBAVXLLOLOZ-FIWWHSBNSA-N
NCBI gene ID
UniProt ID
Synonyms
HOT7T175, AXOR12
Mode of action
Negative control for KISS1-305
Selectivity platform
GPCR panel (PDSP screen)
Selectivity platform number of targets
45
Selectivity remarks
Screened at 1 µM, closest target as % of inhibition: CHRM2 (40.7%)
Selectivity Source Knowledge
Compound image 
NI-198
Bromodomain
BRD1
IC50 > 100000
Epigenetic set
1 µM
Compound EUbOPEN ID
EUB0001074a
SMILES
O=S(NC1=CC=C2N(C(C(CC)=CC2=C1)=O)CC)(C3=CC=C(C=C3)C#N)=O
InChIKey
QTIVTZLLONAWRR-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
BRL, BRPF2
Mode of action
Negative control for NI-57
Affinity biochemical assay type
BROMOscan
Affinity Biochemical Source Knowledge
Compound image 
NI-198
Bromodomain
BRPF1
IC50 > 100000
Epigenetic set
1 µM
Compound EUbOPEN ID
EUB0001074a
SMILES
O=S(NC1=CC=C2N(C(C(CC)=CC2=C1)=O)CC)(C3=CC=C(C=C3)C#N)=O
InChIKey
QTIVTZLLONAWRR-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
BR140
Mode of action
Negative control for NI-57
Affinity biochemical assay type
BROMOscan
Affinity Biochemical Source Knowledge
Compound image 
NI-198
Bromodomain
BRPF3
IC50 > 100000
Epigenetic set
1 µM
Compound EUbOPEN ID
EUB0001074a
SMILES
O=S(NC1=CC=C2N(C(C(CC)=CC2=C1)=O)CC)(C3=CC=C(C=C3)C#N)=O
InChIKey
QTIVTZLLONAWRR-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
KIAA1286
Mode of action
BRPF3@BRD
Affinity biochemical assay type
BROMOscan
Affinity Biochemical Source Knowledge
Compound image 
NVS-PAK1-C
Protein Kinase
PAK1
IC50 = 1500
Kinase set
1 µM
Compound EUbOPEN ID
EUB0001075a
SMILES
O=C(N1CC[C@@H](C1)NC2=NC3=C(N(C4=C2C=C(Cl)C=C4)CC(F)F)C=CC(F)=C3)N(C)C
InChIKey
RVHZFZVJXGIAJF-HNNXBMFYSA-N
NCBI gene ID
UniProt ID
Mode of action
Negative control for NVS-PAK1-1
Affinity biochemical assay type
Caliper in-vitro dephosphorylation assay (PAK1 phos.)
Affinity Biochemical Source Knowledge
Compound image 
TP-020n
Transferase
MGAT2
IC50 = 3300
Other targets
1 µM
Compound EUbOPEN ID
EUB0001079a
SMILES
NC1=CN=C(N2CCC3=C2C(N4CCCC4=O)=CC(S(=O)(NC5=C(F)C=C(Cl)C=C5F)=O)=C3)N=C1
InChIKey
SBCFKMYFTAVDHK-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
MGAT2
Mode of action
Negative control for TP-020
Affinity biochemical assay type
RapidFire/MS assay (using full-length human protein)
Affinity Biochemical Source Knowledge
Compound image 
MRIA9
Protein Kinase
SIK1
IC50 = 55
IC50 = 516
Kinase set
1 µM
Compound EUbOPEN ID
EUB0001107a
SMILES
CNc1ncc2cc(-c3ccc(-c4ncccc4F)cc3Cl)c(=O)n(C[C@H]3OC[C@H](N)CO3)c2n1
InChIKey
QKNBRNSGPNCARD-SGNKCFNYSA-N
NCBI gene ID
UniProt ID
Synonyms
msk
Mode of action
Inhibitor
Negative control
MR7
Affinity biochemical assay type
Radiometric 33PanQinase Assay
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
NanoBRET assay (HEK293T cells)
Affinity on-target cellular source knowledge
Selectivity platform
33PanQinase Assay (Reaction Biology)
Selectivity platform number of targets
443
Selectivity remarks
Screened at 1 μM inhibition, closest targets as % of residual activity: MAP4K5 (8%), PAK3 (9%), PAK2 (10%), NLK (13%), PKN3 (35%), PAK1 (36%), MAP2K4 (37%), TIE2 (39%), MST4 (45%), MELK (48%); In-vitro follow-up of closest targets (33PanQinase assay, Reaction Biology): IC50(MAP4K5) = 210 nM, IC50(PAK3) = 140 nM, IC50(PAK2) = 41 nM, IC50(NLK) = 13 nM, IC50(PKN3) = 1400 nM, IC50(PAK1) = 580 nM, IC50(MAP2K4) = 830 nM, IC50(TIE2) = 3100 nM, IC50(MST4) = 1600 nM, IC50(MELK) = 2200 nM (https://pubs.acs.org/doi/10.1021/acs.jmedchem.0c02144); In-cellulo follow-up of closest targets (NanoBRET assay in HEK293T cells): IC50(MAP4K5) = 13 µM, IC50(NLK) = 0.25 µM, IC50(PKN3) = 6.7 µM, IC50(TIE2) = 6 µM, IC50(MST4) = 34 µM, https://pubs.acs.org/doi/10.1021/acs.jmedchem.0c02144;
Selectivity Source Knowledge
Compound image 
MRIA9
Protein Kinase
SIK2
IC50 = 48
IC50 = 180
Kinase set
1 µM
Compound EUbOPEN ID
EUB0001107a
SMILES
CNc1ncc2cc(-c3ccc(-c4ncccc4F)cc3Cl)c(=O)n(C[C@H]3OC[C@H](N)CO3)c2n1
InChIKey
QKNBRNSGPNCARD-SGNKCFNYSA-N
NCBI gene ID
UniProt ID
Synonyms
KIAA0781, QIK, DKFZp434K1115, LOH11CR1I
Mode of action
Inhibitor
Negative control
MR7
Affinity biochemical assay type
Radiometric 33PanQinase Assay
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
NanoBRET assay (HEK293T cells)
Affinity on-target cellular source knowledge
Selectivity platform
33PanQinase Assay (Reaction Biology)
Selectivity platform number of targets
443
Selectivity remarks
Screened at 1 μM inhibition, closest targets as % of residual activity: MAP4K5 (8%), PAK3 (9%), PAK2 (10%), NLK (13%), PKN3 (35%), PAK1 (36%), MAP2K4 (37%), TIE2 (39%), MST4 (45%), MELK (48%); In-vitro follow-up of closest targets (33PanQinase assay, Reaction Biology): IC50(MAP4K5) = 210 nM, IC50(PAK3) = 140 nM, IC50(PAK2) = 41 nM, IC50(NLK) = 13 nM, IC50(PKN3) = 1400 nM, IC50(PAK1) = 580 nM, IC50(MAP2K4) = 830 nM, IC50(TIE2) = 3100 nM, IC50(MST4) = 1600 nM, IC50(MELK) = 2200 nM (https://pubs.acs.org/doi/10.1021/acs.jmedchem.0c02144); In-cellulo follow-up of closest targets (NanoBRET assay in HEK293T cells): IC50(MAP4K5) = 13 µM, IC50(NLK) = 0.25 µM, IC50(PKN3) = 6.7 µM, IC50(TIE2) = 6 µM, IC50(MST4) = 34 µM, https://pubs.acs.org/doi/10.1021/acs.jmedchem.0c02144;
Selectivity Source Knowledge
Compound image 
MRIA9
Protein Kinase
SIK3
IC50 = 22
IC50 = 127
Kinase set
1 µM
Compound EUbOPEN ID
EUB0001107a
SMILES
CNc1ncc2cc(-c3ccc(-c4ncccc4F)cc3Cl)c(=O)n(C[C@H]3OC[C@H](N)CO3)c2n1
InChIKey
QKNBRNSGPNCARD-SGNKCFNYSA-N
NCBI gene ID
UniProt ID
Synonyms
FLJ12240, L19, KIAA0999, QSK
Mode of action
Inhibitor
Negative control
MR7
Affinity biochemical assay type
Radiometric 33PanQinase Assay
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
NanoBRET assay (HEK293T cells)
Affinity on-target cellular source knowledge
Selectivity platform
33PanQinase Assay (Reaction Biology)
Selectivity platform number of targets
443
Selectivity remarks
Screened at 1 μM inhibition, closest targets as % of residual activity: MAP4K5 (8%), PAK3 (9%), PAK2 (10%), NLK (13%), PKN3 (35%), PAK1 (36%), MAP2K4 (37%), TIE2 (39%), MST4 (45%), MELK (48%); In-vitro follow-up of closest targets (33PanQinase assay, Reaction Biology): IC50(MAP4K5) = 210 nM, IC50(PAK3) = 140 nM, IC50(PAK2) = 41 nM, IC50(NLK) = 13 nM, IC50(PKN3) = 1400 nM, IC50(PAK1) = 580 nM, IC50(MAP2K4) = 830 nM, IC50(TIE2) = 3100 nM, IC50(MST4) = 1600 nM, IC50(MELK) = 2200 nM (https://pubs.acs.org/doi/10.1021/acs.jmedchem.0c02144); In-cellulo follow-up of closest targets (NanoBRET assay in HEK293T cells): IC50(MAP4K5) = 13 µM, IC50(NLK) = 0.25 µM, IC50(PKN3) = 6.7 µM, IC50(TIE2) = 6 µM, IC50(MST4) = 34 µM, https://pubs.acs.org/doi/10.1021/acs.jmedchem.0c02144;
Selectivity Source Knowledge
Compound image 
BTZO-4
Tautomerase
MIF
Negative Control
Other targets
1 µM
Compound EUbOPEN ID
EUB0001135a
SMILES
c1ccc2c(c1)C(NC(c1ccccn1)S2)=O
InChIKey
VNQMNFPFGNMBPO-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
MIF, GLIF, MMIF
Mode of action
Negative control for BTZO-1
Affinity Biochemical Source Knowledge
Compound image 
SGC-CK2-1
Protein Kinase
CSNK2A2
IC50 = 2.3
IC50 = 16
Kinase set
100 nM
Compound EUbOPEN ID
EUB0001183a
SMILES
CC1=CC=C(NC2=NC3=C(C#N)C=NN3C(NC4CC4)=C2)C=C1NC(CC)=O
InChIKey
YKDZIFFKQUNVHH-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
CSNK2A1, CK2alpha'
Mode of action
Inhibitor
Negative control
SGC-CK2-1N
Affinity biochemical assay type
Enzymatic assay (Eurofins at 10 µM ATP)
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
NanoBRET assay (in HEK293T cells)
Affinity on-target cellular source knowledge
Selectivity platform
ScanMAX (DiscoverX)
Selectivity platform number of targets
468
Selectivity remarks
Screened at 1 µM, S-Score(10) = 0.007 at 1 µM, closest targets as % of inhibition: STK17A (100%), DYRK2 (86%), PLK4 (77%), HIPK2 (72%), MEK5 (72%), HIPK1 (68%), HIPK3 (66%); In-cellulo follow-up of closest targets (NanoBRET assay in HEK293T cells): IC50(STK17A) >10000 nM, IC50(DYRK2) = 440 nM, IC50(PLK4) >10000 nM, IC50(HIPK2) = 3400 nM, IC50(MEK5) n.d., IC50(HIPK1) = 3700 nM, IC50(HIPK3) = 8100 nM; In-vitro follow-up of MEK5 in enzymatic assay: 0% inhibition at 1 µM (https://www.sciencedirect.com/science/article/pii/S2451945620305225?via%3Dihub);
Selectivity Source Knowledge
Compound image 
SGC-CK2-1
Protein Kinase
CSNK2A1
IC50 = 4.2
IC50 = 36
Kinase set
100 nM
Compound EUbOPEN ID
EUB0001183a
SMILES
CC1=CC=C(NC2=NC3=C(C#N)C=NN3C(NC4CC4)=C2)C=C1NC(CC)=O
InChIKey
YKDZIFFKQUNVHH-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
Cka1, Cka2
Mode of action
Inhibitor
Negative control
SGC-CK2-1N
Affinity biochemical assay type
Enzymatic assay (Eurofins at 10 µM ATP)
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
NanoBRET assay (in HEK293T cells)
Affinity on-target cellular source knowledge
Selectivity platform
ScanMAX (DiscoverX)
Selectivity platform number of targets
468
Selectivity remarks
Screened at 1 µM, S-Score(10) = 0.007 at 1 µM, closest targets as % of inhibition: STK17A (100%), DYRK2 (86%), PLK4 (77%), HIPK2 (72%), MEK5 (72%), HIPK1 (68%), HIPK3 (66%); In-cellulo follow-up of closest targets (NanoBRET assay in HEK293T cells): IC50(STK17A) >10000 nM, IC50(DYRK2) = 440 nM, IC50(PLK4) >10000 nM, IC50(HIPK2) = 3400 nM, IC50(MEK5) n.d., IC50(HIPK1) = 3700 nM, IC50(HIPK3) = 8100 nM; In-vitro follow-up of MEK5 in enzymatic assay: 0% inhibition at 1 µM (https://www.sciencedirect.com/science/article/pii/S2451945620305225?via%3Dihub);
Selectivity Source Knowledge
Compound image 
M4K2234
Protein Kinase
ACVRL1
IC50 = 7
IC50 = 83
Kinase set
1 µM
Compound EUbOPEN ID
EUB0001184b
SMILES
COc1cc(-c2cncc(-c3ccc(N4CCN(C(C)C)CC4)cc3)c2C)cc(F)c1C(N)=O
InChIKey
RIWTUJFFSTVYPW-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
HHT2, ALK1, HHT
Mode of action
inhibitor
Negative control
M4K2234NC
Affinity biochemical assay type
Radiometric assay and ³³PanQinase™
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
NanoBRET assay (HEK293T cells)
Affinity on-target cellular source knowledge
Selectivity platform
Kinase panel (Reaction Biology)
Selectivity platform number of targets
375
Selectivity remarks
Screened at 1 µM, closest targets as % of inhibition: TNIK (4.92%), ALK6 (27%), MAP4K4 (30%); In-vitro follow-up of closest targets and ALK family (biochemical assays, Reaction Biology, 10 mM ATP): IC50(ALK3) = 168 nM, IC50(ALK4) = 1660 nM, IC50(ALK5) 1950 nM, IC50(ALK6) = 88 nM, IC50(TNIK) = 41 nM; In-cellulo potency (NanoBRET assay in HEK293T cells): IC50(ALK3) = 536 nM, IC50(ALK4) = 8424 nM, IC50(ALK5) = 7932 nM, IC560(ALK6) = 1628 nM, https://www.thesgc.org/chemical-probes/m4k2234;
Selectivity Source Knowledge
Compound image 
M4K2234
Protein Kinase
ACVR1
IC50 = 14
IC50 = 13
Kinase set
1 µM
Compound EUbOPEN ID
EUB0001184b
SMILES
COc1cc(-c2cncc(-c3ccc(N4CCN(C(C)C)CC4)cc3)c2C)cc(F)c1C(N)=O
InChIKey
RIWTUJFFSTVYPW-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
SKR1, ALK2, ACVR1A
Mode of action
inhibitor
Negative control
M4K2234NC
Affinity biochemical assay type
Radiometric assay and ³³PanQinase™
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
NanoBRET assay (HEK293T cells)
Affinity on-target cellular source knowledge
Selectivity platform
Kinase panel (Reaction Biology)
Selectivity platform number of targets
375
Selectivity remarks
Screened at 1 µM, closest targets as % of inhibition: TNIK (4.92%), ALK6 (27%), MAP4K4 (30%); In-vitro follow-up of closest targets and ALK family (biochemical assays, Reaction Biology, 10 mM ATP): IC50(ALK3) = 168 nM, IC50(ALK4) = 1660 nM, IC50(ALK5) 1950 nM, IC50(ALK6) = 88 nM, IC50(TNIK) = 41 nM; In-cellulo potency (NanoBRET assay in HEK293T cells): IC50(ALK3) = 536 nM, IC50(ALK4) = 8424 nM, IC50(ALK5) = 7932 nM, IC560(ALK6) = 1628 nM, https://www.thesgc.org/chemical-probes/m4k2234;
Selectivity Source Knowledge
Compound image 
PF-05236216
Protein Kinase
CSNK1D
IC50 = 8
EC50 = 58
Kinase set
1 µM
Compound EUbOPEN ID
EUB0001199aCl
SMILES
CN1C=C(C2=CC=NC(CN3C)=C2C3=O)C(C4=CC=C(F)C=C4)=N1.Cl
InChIKey
CLDJMFXSCFWXDI-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
HCKID, CKID, CKIdelta
Mode of action
Inhibitor
Affinity biochemical assay type
Kinase-Glo Plus Assay
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
Translocation Assay (CSNK1D mediated PER3 nuclear translocation in COS-7 cells)
Affinity on-target cellular source knowledge
Selectivity platform
Kinase panel (literature)
Selectivity platform number of targets
100
Selectivity remarks
Screened at 1 µM, closest targets as % of inhibition: MAP4K4 (65%), CSNK1A1 (51%), MINK1 (42%), MAPK14 (37%), in-vitro potencies of closest targets: IC50(MAP4K4) = 873 nM, IC50(CSNK1A1) = 630 nM, IC50(MINK1) = 1573 nM, IC50(MAPK14) = 861 nM (https://pubs.acs.org/doi/10.1021/acschemneuro.7b00155);
Selectivity Source Knowledge
Compound image 
PF-05236216
Protein Kinase
CSNK1E
IC50 = 36
EC50 = 318
Kinase set
1 µM
Compound EUbOPEN ID
EUB0001199aCl
SMILES
CN1C=C(C2=CC=NC(CN3C)=C2C3=O)C(C4=CC=C(F)C=C4)=N1.Cl
InChIKey
CLDJMFXSCFWXDI-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
HCKIE, CKIE, CKIepsilon
Mode of action
Inhibitor
Affinity biochemical assay type
Kinase-Glo Plus Assay
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
Translocation Assay (CSNK1E mediated PER3 nuclear translocation in COS-7 cells)
Affinity on-target cellular source knowledge
Selectivity platform
Kinase panel (literature)
Selectivity platform number of targets
100
Selectivity remarks
Screened at 1 µM, closest targets as % of inhibition: MAP4K4 (65%), CSNK1A1 (51%), MINK1 (42%), MAPK14 (37%), in-vitro potencies of closest targets: IC50(MAP4K4) = 873 nM, IC50(CSNK1A1) = 630 nM, IC50(MINK1) = 1573 nM, IC50(MAPK14) = 861 nM (https://pubs.acs.org/doi/10.1021/acschemneuro.7b00155);
Selectivity Source Knowledge
Compound image 
MU2027
Protein Kinase
CSNK1A1
IC50 > 3000
Kinase set
1 µM
Compound EUbOPEN ID
EUB0001201a
SMILES
CCc1ccc(-c2ncn(CC3(F)CCN(C)CC3)c2-c2ccnc3[nH]ccc23)nc1
InChIKey
SRSOVGVHVNSXTC-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
CK1, CK1a, CK1alpha, CKIa, CKIalpha
Mode of action
Negative control for MU1742
Affinity biochemical assay type
Tracer competition assays (Reaction Biology, 10 mM ATP)
Affinity Biochemical Source Knowledge
Compound image 
MU2027
Protein Kinase
CSNK1D
IC50 > 3000
IC50 > 50000
Kinase set
1 µM
Compound EUbOPEN ID
EUB0001201a
SMILES
CCc1ccc(-c2ncn(CC3(F)CCN(C)CC3)c2-c2ccnc3[nH]ccc23)nc1
InChIKey
SRSOVGVHVNSXTC-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
HCKID, CKID, CKIdelta
Mode of action
Negative control for MU1742
Affinity biochemical assay type
Tracer competition assays (Reaction Biology, 10 mM ATP)
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
NanoBRET asssay (HEK293T cells)
Affinity on-target cellular source knowledge
Compound image 
MU2027
Protein Kinase
CSNK1E
IC50 > 3000
IC50 > 50000
Kinase set
1 µM
Compound EUbOPEN ID
EUB0001201a
SMILES
CCc1ccc(-c2ncn(CC3(F)CCN(C)CC3)c2-c2ccnc3[nH]ccc23)nc1
InChIKey
SRSOVGVHVNSXTC-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
HCKIE, CKIE, CKIepsilon
Mode of action
Negative control for MU1742
Affinity biochemical assay type
Tracer competition assays (Reaction Biology, 10 mM ATP)
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
NanoBRET asssay (HEK293T cells)
Affinity on-target cellular source knowledge
Compound image 
MU1742
Protein Kinase
CSNK1A1
IC50 = 7.2
IC50 = 3500
Kinase set
1 µM
Compound EUbOPEN ID
EUB0001205a
SMILES
CN1CCC(F)(Cn2cnc(-c3ccc(F)cn3)c2-c2ccnc3[nH]ccc23)CC1
InChIKey
SWOIFXHMBKFCRM-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
CK1, CK1a, CK1alpha, CKIa, CKIalpha
Mode of action
Inhibitor
Negative control
MU2027
Affinity biochemical assay type
Eurofins radiometric assay
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
NanoBRET asssay (HEK293T cells)
Affinity on-target cellular source knowledge
Selectivity platform
Kinase panel (Reaction Biology)
Selectivity platform number of targets
415
Selectivity remarks
Screened at 1 µM, closest targets as % of inhibition: CSNK1A1 (6%), CSNK1D (-6%), CSNK1E (0%), TNIK (43%), ZAP-70 (71%);
Selectivity Source Knowledge
Compound image 
MU1742
Protein Kinase
CSNK1D
IC50 = 6.1
IC50 = 47
Kinase set
1 µM
Compound EUbOPEN ID
EUB0001205a
SMILES
CN1CCC(F)(Cn2cnc(-c3ccc(F)cn3)c2-c2ccnc3[nH]ccc23)CC1
InChIKey
SWOIFXHMBKFCRM-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
HCKID, CKID, CKIdelta
Mode of action
Inhibitor
Negative control
MU2027
Affinity biochemical assay type
Eurofins radiometric assay
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
NanoBRET asssay (HEK293T cells)
Affinity on-target cellular source knowledge
Selectivity platform
Kinase panel (Reaction Biology)
Selectivity platform number of targets
415
Selectivity remarks
Screened at 1 µM, closest targets as % of inhibition: CSNK1A1 (6%), CSNK1D (-6%), CSNK1E (0%), TNIK (43%), ZAP-70 (71%);
Selectivity Source Knowledge
Compound image 
MU1742
Protein Kinase
CSNK1E
IC50 = 27.7
IC50 = 220
Kinase set
1 µM
Compound EUbOPEN ID
EUB0001205a
SMILES
CN1CCC(F)(Cn2cnc(-c3ccc(F)cn3)c2-c2ccnc3[nH]ccc23)CC1
InChIKey
SWOIFXHMBKFCRM-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
HCKIE, CKIE, CKIepsilon
Mode of action
Inhibitor
Negative control
MU2027
Affinity biochemical assay type
Tracer competition assays (Reaction Biology, 10 mM ATP)
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
NanoBRET asssay (HEK293T cells)
Affinity on-target cellular source knowledge
Selectivity platform
Kinase panel (Reaction Biology)
Selectivity platform number of targets
415
Selectivity remarks
Screened at 1 µM, closest targets as % of inhibition: CSNK1A1 (6%), CSNK1D (-6%), CSNK1E (0%), TNIK (43%), ZAP-70 (71%);
Selectivity Source Knowledge
Compound image 
Palbociclib
Protein Kinase
CDK4
IC50 = 9
Kinase set
100 nM
Compound EUbOPEN ID
EUB0001326b
SMILES
CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O
InChIKey
AHJRHEGDXFFMBM-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
PSK-J3
Mode of action
inhibitor
Affinity biochemical assay type
Radiometric kinase assay (using CDK4/cyclinD3 and 25 µM ATP)
Affinity Biochemical Source Knowledge
Selectivity platform
CARNA Biosciences Kinase Panel (Caliper LabChip3000 mobility shift assay)
Selectivity platform number of targets
274
Selectivity remarks
Screened at 1 µM using Km =ATP, closest targets as % of inhibition: CDK4(cyclinD3, 102.4%), CDK6(cyclinD3, 101.7%), CLK1 (100.3%), HIPK2(88.9%), MAP2K5 (84.8%), FLT3(84.5%), ERK5(77.9%), NTRK1(72.7%), CLK2(72.5%), PKD3(72.1%), PKD2(71.9%), PKR(71.4%), DYRK1B(70.5%), PKD1(69.1%), PEK(68.8%), HIPK3(63.4%), HIPK4(62.5%), NUAK2(61.9%), CDK9(cyclinT1, 59.8%), HIPK1(57.4%), CAMK2D(54%), TSSK1(53.5%), DYRK3(52.3%), MER(52.2%); In-vitro potency of closest targets (biochemical dose-responce assay using ATP = Km, Carna Biosciences): Ki(CLK1) = 16 nM, Ki(FLT3) = 53 nM, Ki(HIPK2) = 70 nM, Ki(MAP2K5) = 90 nM, Ki(ERK5) = 129 nM, Ki(DYRK1B) = 162 nM, Ki(CLK2) = 176 nM, Ki(PKD3) = 204 nM, Ki(PKR) = 241 nM, Ki(PKD2) = 277 nM, https://pubmed.ncbi.nlm.nih.gov/27496135/; Screened against 17 non-kinase proteins (CEREP ligand displacement assays), in-vitro potency of closest targets: EC50(Adren Alpha 1a) >10 µM, EC50(Dopamine 1) >10 µM, EC50(Histamine 1) >10 µM, EC50(Muscarinic 1) >10 µM, EC50(5HT2b) >10 µM, EC50(Adren Beta 2) >10 µM, EC50(Cannabinoid 1) >10 µM, EC50(Mu Opioid) >10 µM, EC50(SERT) >10 µM, EC50(DAT) >10 µM, EC50(NET) >10 µM, EC50(PDE3A1) >180 µM, EC50(PDE4D3) = 3.4 µM, EC50(PDE5A1) = 2.9 µM, EC50(L-Type Calcium) >20 µM, EC50(Sodium, Nav1.5) >10 µM, EC50(BRD4) >25 µM, https://pubmed.ncbi.nlm.nih.gov/27496135/; Screened at 1 µM against 140 kinases (Dundee kinase profiling), closest targets as % of contr.: HIPK2 (2%), PKD1 (44%), ERK8 (47%), https://pubs.acs.org/doi/10.1021/acs.jmedchem.8b00049; Screened at 10 µM against 140 kinases (Dundee kinase profiling), closest targets as % of contr.: HIPK2 (8%), DYRK1A (9%), ERK8 (13%), CK2 (13%), MELK (14%), GCK(15%), DYRK3 (16%), PKD1 (18%), PLK1 (18%), NTRK1(18%), TAK1(21%), PHK (22%), https://pubs.acs.org/doi/10.1021/acs.jmedchem.8b00049; Screened against 520 kinases (competition-binding assay), closest targets: Kd(CDK6) = 76 nM, Kd(PIP4K2A) = 208 nM, Kd(CLK1) = 276 nM, Kd(CSNK2B) = 448 nM, Kd(CSNK2A2) = 488 nM, Kd(CDK4) = 572 nM, Kd(EIF3J) = 701 nM, Kd(CSNK2A1/A3) = 760 nM, Kd(MAP2K4) = 1251 nM, Kd(CDK17) = 1272 nM, Kd(CCNT2) = 1665 nM, Kd(PIP4K2C) = 1721 nM, Kd(CCNT1) = 2676 nM, Kd(CDK16) = 2778 nM, Kd(MAPK9) = 2856 nM, Kd(MED23) = 2998 nM, Kd(AAK1) = 4216 nM, Kd(PRKD2) = 5623 nM, Kd(CDK9) = 9492 nM, Kd(STK16) = 9969 nM, Kd(TAOK3) = 15852 nM, Kd(PRKD3) = 16296 nM, Kd(BMP2K) = 26466 nM, Kd(Q6ZSR9) = 27334 nM, Kd(TAOK2) = 27973 nM, https://pubmed.ncbi.nlm.nih.gov/29191878/;
Selectivity Source Knowledge
Compound image 
Palbociclib
Protein Kinase
CDK6
IC50 = 15
Kinase set
100 nM
Compound EUbOPEN ID
EUB0001326b
SMILES
CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O
InChIKey
AHJRHEGDXFFMBM-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
PLSTIRE
Mode of action
inhibitor
Affinity biochemical assay type
Radiometric kinase assay (using CDK6/cyclinD3 and 25 µM ATP)
Affinity Biochemical Source Knowledge
Selectivity platform
CARNA Biosciences Kinase Panel (Caliper LabChip3000 mobility shift assay)
Selectivity platform number of targets
274
Selectivity remarks
Screened at 1 µM using Km =ATP, closest targets as % of inhibition: CDK4(cyclinD3, 102.4%), CDK6(cyclinD3, 101.7%), CLK1 (100.3%), HIPK2(88.9%), MAP2K5 (84.8%), FLT3(84.5%), ERK5(77.9%), NTRK1(72.7%), CLK2(72.5%), PKD3(72.1%), PKD2(71.9%), PKR(71.4%), DYRK1B(70.5%), PKD1(69.1%), PEK(68.8%), HIPK3(63.4%), HIPK4(62.5%), NUAK2(61.9%), CDK9(cyclinT1, 59.8%), HIPK1(57.4%), CAMK2D(54%), TSSK1(53.5%), DYRK3(52.3%), MER(52.2%); In-vitro potency of closest targets (biochemical dose-responce assay using ATP = Km, Carna Biosciences): Ki(CLK1) = 16 nM, Ki(FLT3) = 53 nM, Ki(HIPK2) = 70 nM, Ki(MAP2K5) = 90 nM, Ki(ERK5) = 129 nM, Ki(DYRK1B) = 162 nM, Ki(CLK2) = 176 nM, Ki(PKD3) = 204 nM, Ki(PKR) = 241 nM, Ki(PKD2) = 277 nM, https://pubmed.ncbi.nlm.nih.gov/27496135/; Screened against 17 non-kinase proteins (CEREP ligand displacement assays), in-vitro potency of closest targets: EC50(Adren Alpha 1a) >10 µM, EC50(Dopamine 1) >10 µM, EC50(Histamine 1) >10 µM, EC50(Muscarinic 1) >10 µM, EC50(5HT2b) >10 µM, EC50(Adren Beta 2) >10 µM, EC50(Cannabinoid 1) >10 µM, EC50(Mu Opioid) >10 µM, EC50(SERT) >10 µM, EC50(DAT) >10 µM, EC50(NET) >10 µM, EC50(PDE3A1) >180 µM, EC50(PDE4D3) = 3.4 µM, EC50(PDE5A1) = 2.9 µM, EC50(L-Type Calcium) >20 µM, EC50(Sodium, Nav1.5) >10 µM, EC50(BRD4) >25 µM, https://pubmed.ncbi.nlm.nih.gov/27496135/; Screened at 1 µM against 140 kinases (Dundee kinase profiling), closest targets as % of contr.: HIPK2 (2%), PKD1 (44%), ERK8 (47%), https://pubs.acs.org/doi/10.1021/acs.jmedchem.8b00049; Screened at 10 µM against 140 kinases (Dundee kinase profiling), closest targets as % of contr.: HIPK2 (8%), DYRK1A (9%), ERK8 (13%), CK2 (13%), MELK (14%), GCK(15%), DYRK3 (16%), PKD1 (18%), PLK1 (18%), NTRK1(18%), TAK1(21%), PHK (22%), https://pubs.acs.org/doi/10.1021/acs.jmedchem.8b00049; Screened against 520 kinases (competition-binding assay), closest targets: Kd(CDK6) = 76 nM, Kd(PIP4K2A) = 208 nM, Kd(CLK1) = 276 nM, Kd(CSNK2B) = 448 nM, Kd(CSNK2A2) = 488 nM, Kd(CDK4) = 572 nM, Kd(EIF3J) = 701 nM, Kd(CSNK2A1/A3) = 760 nM, Kd(MAP2K4) = 1251 nM, Kd(CDK17) = 1272 nM, Kd(CCNT2) = 1665 nM, Kd(PIP4K2C) = 1721 nM, Kd(CCNT1) = 2676 nM, Kd(CDK16) = 2778 nM, Kd(MAPK9) = 2856 nM, Kd(MED23) = 2998 nM, Kd(AAK1) = 4216 nM, Kd(PRKD2) = 5623 nM, Kd(CDK9) = 9492 nM, Kd(STK16) = 9969 nM, Kd(TAOK3) = 15852 nM, Kd(PRKD3) = 16296 nM, Kd(BMP2K) = 26466 nM, Kd(Q6ZSR9) = 27334 nM, Kd(TAOK2) = 27973 nM, https://pubmed.ncbi.nlm.nih.gov/29191878/;
Selectivity Source Knowledge
Compound image 
M4K2234NC
Protein Kinase
ACVR1
IC50 = 5686
Kinase set
1 µM
Compound EUbOPEN ID
EUB0001465a
SMILES
COc1cc(-c2cncc(-c3ccc(N4CCN(C(C)C)CC4)cc3)c2C)cc(F)c1C(=O)N1CCCC1
InChIKey
WFJOMSKCDAOJBT-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
SKR1, ALK2, ACVR1A
Mode of action
negative control
Affinity on-target cellular assay type
NanoBRET assay (HEK293T cells)
Affinity on-target cellular source knowledge
Selectivity platform
ALK family panel (NanoBRET assay in HEK293T cells , in-house data SGC-Frankfurt)
Selectivity platform number of targets
6
Selectivity remarks
In-cellulo follow-up (NanoBRET assays in HEK293T cells): IC50(ALK3) >10 µM, IC50(ALK4) >10 µM, IC50(ALK5) >10 µM, IC560(ALK6) = >10 µM; https://www.thesgc.org/chemical-probes/m4k2234
Selectivity Source Knowledge
Compound image 
M4K2234NC
Protein Kinase
ACVRL1
IC50 > 10000
Kinase set
1 µM
Compound EUbOPEN ID
EUB0001465a
SMILES
COc1cc(-c2cncc(-c3ccc(N4CCN(C(C)C)CC4)cc3)c2C)cc(F)c1C(=O)N1CCCC1
InChIKey
WFJOMSKCDAOJBT-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
HHT2, ALK1, HHT
Mode of action
negative control
Affinity on-target cellular assay type
NanoBRET assay (HEK293T cells)
Affinity on-target cellular source knowledge
Selectivity platform
ALK family panel (NanoBRET assay in HEK293T cells , in-house data SGC-Frankfurt)
Selectivity platform number of targets
6
Selectivity remarks
In-cellulo follow-up (NanoBRET assays in HEK293T cells): IC50(ALK3) >10 µM, IC50(ALK4) >10 µM, IC50(ALK5) >10 µM, IC560(ALK6) = >10 µM; https://www.thesgc.org/chemical-probes/m4k2234
Selectivity Source Knowledge
Compound image 
MR7
Protein Kinase
SIK1
Kinase set
1 µM
Compound EUbOPEN ID
EUB0001479a
SMILES
CN(C)c1ncc2cc(-c3ccc(-c4ncccc4F)cc3Cl)c(=O)n(C[C@H]3OC[C@H](N)CO3)c2n1
InChIKey
RRFFBKGCCWPMLK-OQIWPSSASA-N
NCBI gene ID
UniProt ID
Synonyms
msk
Mode of action
Negative control for MRIA9
Selectivity platform
Kinase panel (DSF assay, SGC-Frankfurt)
Selectivity platform number of targets
100
Selectivity remarks
Screened at 20 µM, clean selectivity profile, dTm(MST3) = 0.2 K, dTm(MST4) = 0.8 K, dTM(PAK1) = 0.9 K
Selectivity Source Knowledge
Compound image 
MR7
Protein Kinase
SIK2
IC50 = 14000
Kinase set
1 µM
Compound EUbOPEN ID
EUB0001479a
SMILES
CN(C)c1ncc2cc(-c3ccc(-c4ncccc4F)cc3Cl)c(=O)n(C[C@H]3OC[C@H](N)CO3)c2n1
InChIKey
RRFFBKGCCWPMLK-OQIWPSSASA-N
NCBI gene ID
UniProt ID
Synonyms
KIAA0781, QIK, DKFZp434K1115, LOH11CR1I
Mode of action
Negative control for MRIA9
Affinity on-target cellular assay type
NanoBRET assay (HEK293T cells)
Affinity on-target cellular source knowledge
Selectivity platform
Kinase panel (DSF assay, SGC-Frankfurt)
Selectivity platform number of targets
100
Selectivity remarks
Screened at 20 µM, clean selectivity profile, dTm(MST3) = 0.2 K, dTm(MST4) = 0.8 K, dTM(PAK1) = 0.9 K
Selectivity Source Knowledge
Compound image 
MR7
Protein Kinase
SIK3
Kinase set
1 µM
Compound EUbOPEN ID
EUB0001479a
SMILES
CN(C)c1ncc2cc(-c3ccc(-c4ncccc4F)cc3Cl)c(=O)n(C[C@H]3OC[C@H](N)CO3)c2n1
InChIKey
RRFFBKGCCWPMLK-OQIWPSSASA-N
NCBI gene ID
UniProt ID
Synonyms
FLJ12240, L19, KIAA0999, QSK
Mode of action
Negative control for MRIA9
Selectivity platform
Kinase panel (DSF assay, SGC-Frankfurt)
Selectivity platform number of targets
100
Selectivity remarks
Screened at 20 µM, clean selectivity profile, dTm(MST3) = 0.2 K, dTm(MST4) = 0.8 K, dTM(PAK1) = 0.9 K
Selectivity Source Knowledge
Compound image 
JNJ-47117096
Protein Kinase
FLT3
IC50 = 18
Kinase set
1 µM
Compound EUbOPEN ID
EUB0001485a
SMILES
COc1cc(-c2cn[nH]c2)ccc1C(=O)Nc1ccc2c(c1)CCNCC2.Cl
InChIKey
OXRWZUUCCUDKJJ-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
STK1, FLK2, CD135
Mode of action
inhibitor
Affinity biochemical assay type
Radioactive filter binding assay (10 µM ATP)
Affinity Biochemical Source Knowledge
Selectivity platform
KinaseProfile service (Milipore)
Selectivity platform number of targets
235
Selectivity remarks
Screened at 1 µM, closest targets as % of contr.: CAMK2D (60%), CAMK2G (59%), MKNK2 (55%), MYLK (54%); In-vitro follow-up (enzymatic assays, Milipore): IC50(CAMK2D) = 810 nM, IC50(MKNK2) = 760 nM, IC50(CAMK2G) = 1000 nM, IC50(MYLK) = 1000 nM;
Selectivity Source Knowledge
Compound image 
JNJ-47117096
Protein Kinase
MELK
IC50 = 23
Kinase set
1 µM
Compound EUbOPEN ID
EUB0001485a
SMILES
COc1cc(-c2cn[nH]c2)ccc1C(=O)Nc1ccc2c(c1)CCNCC2.Cl
InChIKey
OXRWZUUCCUDKJJ-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
KIAA0175
Mode of action
inhibitor
Affinity biochemical assay type
Radioactive filter binding assay (10 µM ATP)
Affinity Biochemical Source Knowledge
Selectivity platform
KinaseProfile service (Milipore)
Selectivity platform number of targets
235
Selectivity remarks
Screened at 1 µM, closest targets as % of contr.: CAMK2D (60%), CAMK2G (59%), MKNK2 (55%), MYLK (54%); In-vitro follow-up (enzymatic assays, Milipore): IC50(CAMK2D) = 810 nM, IC50(MKNK2) = 760 nM, IC50(CAMK2G) = 1000 nM, IC50(MYLK) = 1000 nM;
Selectivity Source Knowledge
Compound image 
Lapatinib
Protein Kinase
EGFR
IC50 = 10.8
IC50 = 80170
Kinase set
1 µM
Compound EUbOPEN ID
EUB0001487a
SMILES
CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1
InChIKey
BCFGMOOMADDAQU-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
ERBB1
Mode of action
inhibitor
Affinity biochemical assay type
Radiometric kinase assay (10 µM ATP)
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
Western Blot (phosphorylation of EGFR in BT474 cells)
Affinity on-target cellular source knowledge
Selectivity platform
Kinase panel (literature)
Selectivity platform number of targets
317
Selectivity remarks
In-vitro potency of closest targets: Kd(EGFR) = 2.4 nM, Kd(EGFR, E746-A750del) = 8.6 nM, Kd(EGFR, G719C) = 0.92 nM, Kd(EGFR, G719S) = 2.1 nM, Kd(EGFR, L747-E749del, A750P) = 2.2 nM, Kd(EGFR, L747-T751del, Sins) = 3.5 nM, Kd(EGFR, L747-S752del, P753S) = 3.9 nM, Kd(EGFR, L858R) = 2.8 nM, Kd(EGFR, L861Q) = 1.2 nM, Kd(EGFR, S752-I759del) = 4.2 nM, Kd(ERBB2) = 7 nM, Kd(ERBB4) = 54 nM, Kd(RIPK2) = 3600 nM, Kd(STK10) = 4400 nM; In-vitro potencies of closest targets (Radiometric kinase assay (10 µM ATP)): IC50(ERBB4) = 367 nM, IC50(SRC) = 3500 nM, IC50(RAF1) >10000 nM, IC50(MAP2K1) >10000 nM, IC50(MAPK1) >10000 nM, IC50(CSF1R) >10000 nM, IC50(CDK1) >10000 nM, IC50(CDK2) >10000 nM, IC50(MAPK14) >10000 nM, IC50(TEK) >10000 nM, IC50(KDR) >10000 nM (https://aacrjournals.org/mct/article/1/2/85/233686/The-Effects-of-the-Novel-Reversible-Epidermal)
Selectivity Source Knowledge
Compound image 
Lapatinib
Protein Kinase
ERBB2
IC50 = 9.2
IC50 = 80170
Kinase set
1 µM
Compound EUbOPEN ID
EUB0001487a
SMILES
CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1
InChIKey
BCFGMOOMADDAQU-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
NEU, HER-2, CD340, HER2
Mode of action
inhibitor
Affinity biochemical assay type
Radiometric kinase assay (10 µM ATP)
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
Western Blot (phosphorylation of ERBB2 in BT474 cells)
Affinity on-target cellular source knowledge
Selectivity platform
Kinase panel (literature)
Selectivity platform number of targets
317
Selectivity remarks
In-vitro potency of closest targets: Kd(EGFR) = 2.4 nM, Kd(EGFR, E746-A750del) = 8.6 nM, Kd(EGFR, G719C) = 0.92 nM, Kd(EGFR, G719S) = 2.1 nM, Kd(EGFR, L747-E749del, A750P) = 2.2 nM, Kd(EGFR, L747-T751del, Sins) = 3.5 nM, Kd(EGFR, L747-S752del, P753S) = 3.9 nM, Kd(EGFR, L858R) = 2.8 nM, Kd(EGFR, L861Q) = 1.2 nM, Kd(EGFR, S752-I759del) = 4.2 nM, Kd(ERBB2) = 7 nM, Kd(ERBB4) = 54 nM, Kd(RIPK2) = 3600 nM, Kd(STK10) = 4400 nM; In-vitro potencies of closest targets (Radiometric kinase assay (10 µM ATP)): IC50(ERBB4) = 367 nM, IC50(SRC) = 3500 nM, IC50(RAF1) >10000 nM, IC50(MAP2K1) >10000 nM, IC50(MAPK1) >10000 nM, IC50(CSF1R) >10000 nM, IC50(CDK1) >10000 nM, IC50(CDK2) >10000 nM, IC50(MAPK14) >10000 nM, IC50(TEK) >10000 nM, IC50(KDR) >10000 nM (https://aacrjournals.org/mct/article/1/2/85/233686/The-Effects-of-the-Novel-Reversible-Epidermal)
Selectivity Source Knowledge
Compound image 
CKJB71
Protein Kinase
STK17A
IC50 > 45000
Kinase set
1 µM
Compound EUbOPEN ID
EUB0001489b
SMILES
CN1CCN(C(=O)c2ccc3cc2OCCOCCNc2ccn4ncc-3c4n2)CC1
InChIKey
DDXOMWWURGFLKK-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
DRAK1
Mode of action
Negative control for CK156
Affinity on-target cellular assay type
Nano BRET assay (intact HEK293T cells)
Affinity on-target cellular source knowledge
Selectivity platform
Kinase panel (DSF assay, in-house data SGC Frankfurt)
Selectivity platform number of targets
90
Selectivity remarks
Screened at 20 µM, dTm values of closest targets: dTm(BMP2K) = 6.8 K, dTm(AAK1) = 4.2 K, dTm(STK6) = 4.2 K, dTm(PLK4) = 4.0 K, dTm(STK3) = 3.4 K, dTm(MAP3K5) = 3.32 K, dTm(FLT1) = 2.9 K, dTm(CLK1) = 2.9 K, dTm(STK10) = 2.3 K, dTm(PIM3) = 2.1 K, dTm(STK17A) = 1.5K;
Selectivity Source Knowledge
Compound image 
BI 605906
Protein Kinase
IKBKB
IC50 = 49
EC50 = 900
Kinase set
1 µM
Compound EUbOPEN ID
EUB0001492b
SMILES
CCC(F)(F)c1cc(N2CCC(S(C)(=O)=O)CC2)nc2sc(C(N)=O)c(N)c12
InChIKey
IYHHRZBKXXKDDY-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
IKK2, NFKBIKB, IKK-beta, IKKB
Mode of action
inhibitor
Negative control
BI-5026
Affinity biochemical assay type
Enzymatic inhibition assay
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
Cellular assay (inhibition of phospho-IKBKB in HeLa cells)
Affinity on-target cellular source knowledge
Selectivity platform
Kinase panel (Boehringer Ingelheim)
Selectivity platform number of targets
397
Selectivity remarks
Screened at 10 µM, in-vitro potencies of closest targets (enzymatic assays): IC50(AAK1) = 188 nM, IC50(GAK) = 272 nM, IC50(IRAK3) = 921 nM; In-cellulo follow-up of closest targets (NanoBRET assay in HEK293T cells): IC50(AAK1) = 7 µM, IC50(GAK) = 6.5 µM, IC50(IRAK3) >20 µM (https://www.sgc-ffm.uni-frankfurt.de/chemProbes#!specificprobeoverview/BI%20605906); Screened at 10 µM in Panlabs panel, closest targets as % of contr.: PDE3A (31%), all other targets >50% (https://www.sgc-ffm.uni-frankfurt.de/chemProbes#!specificprobeoverview/BI%20605906); Screened at 10 µM against 45 GPCRs (PDSP screen), in-vitro potencies of closest targets: Ki(DRD3) = 428.07 nM, Ki(DRD2) = 341.44 nM, Ki(GABA/PBR) = 2622.51 nM (https://www.sgc-ffm.uni-frankfurt.de/chemProbes#!specificprobeoverview/BI%20605906);
Selectivity Source Knowledge
Compound image 
PF-06700841
Protein Kinase
TYK2
IC50 = 23
Kinase set
1 µM
Compound EUbOPEN ID
EUB0001542aTs
SMILES
Cc1ccc(S(=O)(=O)O)cc1.Cn1cc(Nc2nccc(N3CC4CCC(C3)N4C(=O)[C@@H]3CC3(F)F)n2)cn1
InChIKey
FAKGOYNHHHOTEN-WTMFEIAXSA-N
NCBI gene ID
UniProt ID
Synonyms
JTK1
Mode of action
inhibitor
Affinity biochemical assay type
Microfluidic assay (phosphorylation of synthetic peptide by recombinant human TYK2, at 1 mM ATP, Caliper Life Science)
Affinity Biochemical Source Knowledge
Selectivity platform
Kinase panel (Carna Biosciences)
Selectivity platform number of targets
306
Selectivity remarks
Screened at 1 µM, conc. ATP = Km, closest targets >90% of inhibition: AURKA/TPX2 (97%), TNK1 (94%), JAK3(92%), QIK(91%); Screened at 10 µM against a broad panel of receptors, ion channels, and transporters (CEREP Wide Ligand Profile screen), in-vitro potency of closest target: IC50(KDR) = 1600 nM, others <50% inhibition, IC50 follow-up in cell-based assay (NovaScreen): IC50(KDR) >30 µM (https://pubs.acs.org/doi/10.1021/acs.jmedchem.8b00917);
Selectivity Source Knowledge
Compound image 
PF-06700841
Protein Kinase
JAK1
IC50 = 17
Kinase set
1 µM
Compound EUbOPEN ID
EUB0001542aTs
SMILES
Cc1ccc(S(=O)(=O)O)cc1.Cn1cc(Nc2nccc(N3CC4CCC(C3)N4C(=O)[C@@H]3CC3(F)F)n2)cn1
InChIKey
FAKGOYNHHHOTEN-WTMFEIAXSA-N
NCBI gene ID
UniProt ID
Synonyms
JAK1A, JTK3
Mode of action
inhibitor
Affinity biochemical assay type
Microfluidic assay (phosphorylation of synthetic peptide by recombinant human JAK1, at 1 mM ATP, Caliper Life Science)
Affinity Biochemical Source Knowledge
Selectivity platform
Kinase panel (Carna Biosciences)
Selectivity platform number of targets
306
Selectivity remarks
Screened at 1 µM, conc. ATP = Km, closest targets >90% of inhibition: AURKA/TPX2 (97%), TNK1 (94%), JAK3(92%), QIK(91%); Screened at 10 µM against a broad panel of receptors, ion channels, and transporters (CEREP Wide Ligand Profile screen), in-vitro potency of closest target: IC50(KDR) = 1600 nM, others <50% inhibition, IC50 follow-up in cell-based assay (NovaScreen): IC50(KDR) >30 µM (https://pubs.acs.org/doi/10.1021/acs.jmedchem.8b00917);
Selectivity Source Knowledge
Compound image 
PF-06700841
Protein Kinase
JAK2
IC50 = 77
Kinase set
1 µM
Compound EUbOPEN ID
EUB0001542aTs
SMILES
Cc1ccc(S(=O)(=O)O)cc1.Cn1cc(Nc2nccc(N3CC4CCC(C3)N4C(=O)[C@@H]3CC3(F)F)n2)cn1
InChIKey
FAKGOYNHHHOTEN-WTMFEIAXSA-N
NCBI gene ID
UniProt ID
Synonyms
JTK10
Mode of action
inhibitor
Affinity biochemical assay type
Microfluidic assay (phosphorylation of synthetic peptide by recombinant human JAK2, at 1 mM ATP, Caliper Life Science)
Affinity Biochemical Source Knowledge
Selectivity platform
Kinase panel (Carna Biosciences)
Selectivity platform number of targets
306
Selectivity remarks
Screened at 1 µM, conc. ATP = Km, closest targets >90% of inhibition: AURKA/TPX2 (97%), TNK1 (94%), JAK3(92%), QIK(91%); Screened at 10 µM against a broad panel of receptors, ion channels, and transporters (CEREP Wide Ligand Profile screen), in-vitro potency of closest target: IC50(KDR) = 1600 nM, others <50% inhibition, IC50 follow-up in cell-based assay (NovaScreen): IC50(KDR) >30 µM (https://pubs.acs.org/doi/10.1021/acs.jmedchem.8b00917);
Selectivity Source Knowledge
Compound image 
BMS 986165
Protein Kinase
TYK2
IC50 = 0.2
IC50 = 2
Kinase set
100 nM
Compound EUbOPEN ID
EUB0001543a
SMILES
[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
InChIKey
BZZKEPGENYLQSC-FIBGUPNXSA-N
NCBI gene ID
UniProt ID
Synonyms
JTK1
Mode of action
Allosteric inhibitor
Affinity biochemical assay type
HTRF assay (TYK2, JH2 domain with 1 mM ATP)
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
STAT-dependent luciferase reporter assay in PBMCs (IFNα-stimulation, measuring STAT5 phosphorylation in CD3+ T-cells as end point, TYK2/JAK1 dependent signaling)
Affinity on-target cellular source knowledge
Selectivity platform
Kinase panel (literature)
Selectivity platform number of targets
249
Selectivity remarks
All >1000-fold selective except BMPR2 (IC50 = 193 nM, ~960-fold selective); Selective within JAK family (HTRF assay, 1 mM ATP): IC50(JAK1) >10 µM, IC50(JAK2) >10 µM, IC50(JAK3) >10 µM, IC50(TYK2, JH1 domain) >10 µM, IC50(TYK2, JH2 domain) = 0.2 nM (https://pubs.acs.org/doi/10.1021/acs.jmedchem.9b00444);
Selectivity Source Knowledge
Compound image 
AZD1208
Protein Kinase
PIM1
IC50 = 0.4
IC50 = 10
Kinase set
100 nM
Compound EUbOPEN ID
EUB0001547a
SMILES
N[C@@H]1CCCN(c2c(/C=C3\SC(=O)NC3=O)cccc2-c2ccccc2)C1
InChIKey
MCUJKPPARUPFJM-MRXNPFEDSA-N
NCBI gene ID
UniProt ID
Mode of action
inhibitor
Affinity biochemical assay type
Mobility shift assay (Caliper Life Sciences, conc. ATP = Km)
Affinity Biochemical Source Knowledge
https://ashpublications.org/blood/article/123/6/905/32601/AZD1208-a-potent-and-selective-pan-Pim-kinase, https://ashpublications.org/blood/article/123/6/905/32601/AZD1208-a-potent-and-selective-pan-Pim-kinase, https://ashpublications.org/blood/article/123/6/905/32601/AZD1208-a-potent-and-selective-pan-Pim-kinase
Affinity on-target cellular assay type
Enzyme-linked immunosorbent assay (phosphorylation of BAD in U2OS cells)
Affinity on-target cellular source knowledge
Selectivity platform
KinomeScan (DiscoverX)
Selectivity platform number of targets
442
Selectivity remarks
Screened at 1 µM, 16 kinases with >50% inhibition, in-vitro follow-up of closest targets: Kd(CDK7) = 38 nM, Kd(MAPK15) = 53 nM, others Kd(CAMK4) = 360 nM, Kd(DAPK1) = 420 nM, Kd(HIPK3) = 480 nM, Kd(STK17B) = 930 nM;
Selectivity Source Knowledge
Compound image 
AZD1208
Protein Kinase
PIM2
IC50 = 5
IC50 = 151
Kinase set
100 nM
Compound EUbOPEN ID
EUB0001547a
SMILES
N[C@@H]1CCCN(c2c(/C=C3\SC(=O)NC3=O)cccc2-c2ccccc2)C1
InChIKey
MCUJKPPARUPFJM-MRXNPFEDSA-N
NCBI gene ID
UniProt ID
Mode of action
inhibitor
Affinity biochemical assay type
Mobility shift assay (Caliper Life Sciences, conc. ATP = Km)
Affinity Biochemical Source Knowledge
https://ashpublications.org/blood/article/123/6/905/32601/AZD1208-a-potent-and-selective-pan-Pim-kinase, https://ashpublications.org/blood/article/123/6/905/32601/AZD1208-a-potent-and-selective-pan-Pim-kinase, https://ashpublications.org/blood/article/123/6/905/32601/AZD1208-a-potent-and-selective-pan-Pim-kinase
Affinity on-target cellular assay type
Enzyme-linked immunosorbent assay (phosphorylation of BAD in U2OS cells)
Affinity on-target cellular source knowledge
Selectivity platform
KinomeScan (DiscoverX)
Selectivity platform number of targets
442
Selectivity remarks
Screened at 1 µM, 16 kinases with >50% inhibition, in-vitro follow-up of closest targets: Kd(CDK7) = 38 nM, Kd(MAPK15) = 53 nM, others Kd(CAMK4) = 360 nM, Kd(DAPK1) = 420 nM, Kd(HIPK3) = 480 nM, Kd(STK17B) = 930 nM;
Selectivity Source Knowledge
Compound image 
AZD1208
Protein Kinase
PIM3
IC50 = 1.9
IC50 = 102
Kinase set
100 nM
Compound EUbOPEN ID
EUB0001547a
SMILES
N[C@@H]1CCCN(c2c(/C=C3\SC(=O)NC3=O)cccc2-c2ccccc2)C1
InChIKey
MCUJKPPARUPFJM-MRXNPFEDSA-N
NCBI gene ID
UniProt ID
Mode of action
inhibitor
Affinity biochemical assay type
Mobility shift assay (Caliper Life Sciences, conc. ATP = Km)
Affinity Biochemical Source Knowledge
https://ashpublications.org/blood/article/123/6/905/32601/AZD1208-a-potent-and-selective-pan-Pim-kinase, https://ashpublications.org/blood/article/123/6/905/32601/AZD1208-a-potent-and-selective-pan-Pim-kinase, https://ashpublications.org/blood/article/123/6/905/32601/AZD1208-a-potent-and-selective-pan-Pim-kinase
Affinity on-target cellular assay type
Enzyme-linked immunosorbent assay (phosphorylation of BAD in U2OS cells)
Affinity on-target cellular source knowledge
Selectivity platform
KinomeScan (DiscoverX)
Selectivity platform number of targets
442
Selectivity remarks
Screened at 1 µM, 16 kinases with >50% inhibition, in-vitro follow-up of closest targets: Kd(CDK7) = 38 nM, Kd(MAPK15) = 53 nM, others Kd(CAMK4) = 360 nM, Kd(DAPK1) = 420 nM, Kd(HIPK3) = 480 nM, Kd(STK17B) = 930 nM;
Selectivity Source Knowledge
Compound image 
BAY 1816032
Protein Kinase
BUB1
IC50 = 6.5
IC50 = 29
Kinase set
100 nM
Compound EUbOPEN ID
EUB0001548a
SMILES
COc1cnccc1Nc1nc(-c2nn(Cc3c(F)cc(OCCO)cc3F)c3ccccc23)ncc1OC
InChIKey
QVOGVAVHOLLLAZ-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
hBUB1, BUB1A
Mode of action
Inhibitor
Negative control
BAY-283
Affinity biochemical assay type
TR-FRET kinase assay (at 10 µM ATP)
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
Phospho-histone assay (inhibition of histone H2A-Thr120 phosphorylation in nocodazole-arrested HeLa cells after 1 h)
Affinity on-target cellular source knowledge
Selectivity platform
KinomeScan (DiscoverX)
Selectivity platform number of targets
403
Selectivity remarks
Screened at 1 µM, closest targets as % of control: STK10 (0.6%), DYRK1B (6.7%); In-vitro potency of closest targets (Competition-binding assay, DiscoverX): Kd(STK10) = 57 nM, Kd(DYRK1B) >30 µM; Screened at 10 µM against 89 targets (Eurofins-Panlabs Screen), closest targets as % of inhibition: human Adenosine transporter (71%), ADORA2A (67%), GABAA chloride channel TBOB receptor (60%), PTGS1 (54%), sodium channel site 2 (53%), PDE4 (52%); In-vitro potency of closest target: IC50(human Adenosin transporter) = 370 nM (https://www.sgc-ffm.uni-frankfurt.de/#!specificprobeoverview/BAY%201816032);
Selectivity Source Knowledge
Compound image 
BAY-283
Protein Kinase
BUB1
IC50 = 1700
Kinase set
100 nM
Compound EUbOPEN ID
EUB0001549a
SMILES
COc1ccccc1Nc1nc(-c2nn(Cc3c(F)cc(OCCCO)cc3F)c3ccccc23)ncc1OC
InChIKey
PYAFWWXPXHSNDM-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
hBUB1, BUB1A
Mode of action
Negative control for BAY 1816032
Affinity biochemical assay type
TR-FRET kinase assay (at 10 µM ATP)
Affinity Biochemical Source Knowledge
Selectivity platform
Kinase panel (Bayer)
Selectivity platform number of targets
25
Selectivity remarks
IC50 >20 µM for all targets tested
Selectivity Source Knowledge
Compound image 
SGC-PIKFYVE-1
Protein Kinase
PIKFYVE
IC50 = 6.9
IC50 = 4
Kinase set
100 nM
Compound EUbOPEN ID
EUB0001550a
SMILES
CN(C)CC#Cc1ccc2[nH]c3c(c2c1)-c1nc(N)ncc1CCC3
InChIKey
DORZPJWJOBMQKC-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
CFD, FAB1, HEL37, PIP5K, PIP5K3, ZFYVE29
Mode of action
Inhibitor
Negative control
SGC-PIKFYVE-1N
Affinity biochemical assay type
Enzymatic assay (SignalChem)
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
NanoBRET assay (HEK293T cells)
Affinity on-target cellular source knowledge
Selectivity platform
Kinome Scan (DiscoverX)
Selectivity platform number of targets
403
Selectivity remarks
Screened at 1 µM, closest targets as % of contr.: MYLK4 (1.8%), MEK1 (4.5%), RIPK5 (5.2%), IRAK3 (9.2%), MEK2 (9.6%), DYRK1A (9.9%), YSK4 (9.9%), ULK3(11%), MEK4 (12%), HASPIN (13%), STK16 (14%), CLK2 (20%), CDK7 (20%), IRAK4 (21%), AURKB (23%), DYRK1B (26%), CLK1 (30%), RIOK2 (32%), CLK4 (34%), PIP4K2C (53%), MAP4K5 (96%); In-vitro follow-up of closest targets: IC50(MYLK4) = 66 nM, IC50(MEK1) >10000 nM, IC50(RIPK5) >10000 nM, IC50(MEK2) >10000 nM, IC50(DYRK1A) = 2040 nM, IC50(YSK4) = 4020 nM, IC50(ULK3) >10000 nM, IC50(MEK4) >10000 nM, IC50(HASPIN) = 1400 nM, IC50(STK16) = 560 nM, IC50(CLK2) = 290 nM, IC50(CDK7) >10000 nM, IC50(IRAK4) = 4500 nM, IC50(AURKB) = 1400 nM, IC50(DYRK1B) = 380 nM, IC50(CLK1) = 420 nM, IC50(CLK4) = 440 nM, IC50(PIP4K2C) = 1900 nM, IC50(MAP4K5) = 89 nM; In-cellulo follow-up of closest targets (NanoBRET assay in HEK293T cells): IC50(MYLK4) = 270 nM, IC50(PIP4K2C) >10000 nM, IC50(MAP4K5) >10000 nM (https://www.thesgc.org/chemical-probes/sgc-pikfyve-1)
Selectivity Source Knowledge
Compound image 
GNE-2256
Protein Kinase
IRAK4
Ki = 1.4
EC50 = 3
Kinase set
1 µM
Compound EUbOPEN ID
EUB0001558a
SMILES
CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(N3CCOCC3)cc2C1=O
InChIKey
AUYCSWFYKYVCLD-HXUWFJFHSA-N
NCBI gene ID
UniProt ID
Synonyms
NY-REN-64
Mode of action
Inhibitor
Negative control
GNE-6689
Affinity biochemical assay type
Biochemical assay
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
NanoBRET assay (HEK293T cells)
Affinity on-target cellular source knowledge
Selectivity platform
SelectScreen Kinase Profiling (Thermo Fisher Scientific)
Selectivity platform number of targets
221
Selectivity remarks
Screened at 1 µM, closest targets as % of inhibition: FLT3 (90.8%), MAP4K4 (86.3%), MINK1 (80.5%), NTRK1 (71%), NTRK2 (86%), JAK1 (83.5%), JAK2 (80.5%), LRRK2 (91.4%), TAK-TAB (74.5%); In-vitro potency of closest targets (Z'-Lyte kinase biochemical assay, conc. ATP = Km(app), Thermo Fisher Scientific): IC50(FLT3) = 177 nM, IC50(MAP4K4) = 680 nM, IC50(MINK1) = 879 nM, IC50(NTRK1) = 313 nM, IC50(NTRK2) = 259 nM, IC50(JAK1) = 282 nM, IC50(JAK2) = 486 nM, IC50(LRRK2) = 198 nM, IC50(TAK-TAB) = 966 nM (https://pubs.acs.org/doi/10.1021/acsmedchemlett.9b00380); In-cellulo follow-up of closest targets (NanoBRET assay, HEK293T cells): EC50(LRRK2) = 5.2 µM, EC50(NTRK2) = 5.6 µM, EC50(NTRK1) = 11 µM, EC50(FLT3) >50 µM, EC50(JAK1) >50 µM, EC50(JAK2) >50 µM (https://www.sgc-ffm.uni-frankfurt.de/chemProbes#!specificprobeoverview/GNE-2256);
Selectivity Source Knowledge
Compound image 
GNE-6689
Protein Kinase
IRAK4
EC50 = 9500
Kinase set
1 µM
Compound EUbOPEN ID
EUB0001559a
SMILES
CN(C(=O)c1cnn2cccnc12)c1cc2c(cc1N1CCOCC1)C(=O)N(C[C@@H](F)C(C)(C)O)C2
InChIKey
JREVKKCSBRLATM-OAQYLSRUSA-N
NCBI gene ID
UniProt ID
Synonyms
NY-REN-64
Mode of action
Negative control for GNE-2256
Affinity on-target cellular assay type
NanoBRET assay (HEK293T cells)
Affinity on-target cellular source knowledge
Compound image 
BAY-940
Protein Kinase
AKT1
IC50 = 3740
IC50 = 6000
Kinase set
1 µM
Compound EUbOPEN ID
EUB0001560a
SMILES
NC1(c2ccc(-c3nc4c(O)ccnn4c3-c3ccccc3)cc2)CCC1
InChIKey
DSWFCCRSSVVRIR-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
RAC, PKB, PRKBA, AKT, RAC-alpha
Mode of action
Negative control for BAY-1125976
Affinity biochemical assay type
Enzymatic inhibition assay
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
NanoBRET assay (in HEK293T cells)
Affinity on-target cellular source knowledge
Compound image 
BAY-940
Protein Kinase
AKT2
IC50 = 3840
IC50 = 10400
Kinase set
1 µM
Compound EUbOPEN ID
EUB0001560a
SMILES
NC1(c2ccc(-c3nc4c(O)ccnn4c3-c3ccccc3)cc2)CCC1
InChIKey
DSWFCCRSSVVRIR-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
PKBb
Mode of action
Negative control for BAY-1125976
Affinity biochemical assay type
Enzymatic inhibition assay
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
NanoBRET assay (in HEK293T cells)
Affinity on-target cellular source knowledge
Compound image 
RL2578
Protein Kinase
AKT1
IC50 = 920
IC50 = 1900
Kinase set
1 µM
Compound EUbOPEN ID
EUB0001563a
SMILES
C=CC(=O)Nc1ccc2[nH]c(=O)n(C3CCN(Cc4ccc(-c5ccc6c(c5)NC(=O)CO6)cc4)CC3)c2c1
InChIKey
DHRJWFCFMBINAK-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
RAC, PKB, PRKBA, AKT, RAC-alpha
Mode of action
Negative control for Borussertib
Affinity biochemical assay type
HTFR assay
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
NanoBRET assay (in HEK293T cells)
Affinity on-target cellular source knowledge
Compound image 
RL2578
Protein Kinase
AKT2
IC50 = 8300
Kinase set
1 µM
Compound EUbOPEN ID
EUB0001563a
SMILES
C=CC(=O)Nc1ccc2[nH]c(=O)n(C3CCN(Cc4ccc(-c5ccc6c(c5)NC(=O)CO6)cc4)CC3)c2c1
InChIKey
DHRJWFCFMBINAK-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
PKBb
Mode of action
Negative control for Borussertib
Affinity on-target cellular assay type
NanoBRET assay (in HEK293T cells)
Affinity on-target cellular source knowledge
Compound image 
BAY-091
Protein Kinase
PIP4K2A
IC50 = 21
EC50 = 1100
Kinase set
1 µM
Compound EUbOPEN ID
EUB0001564a
SMILES
CC[C@H](Nc1c(C#N)c(-c2ccc(-c3cccc(C)c3F)cc2)nc2cnccc12)C(=O)O
InChIKey
DVIVLYHDLNAXAT-NRFANRHFSA-N
NCBI gene ID
UniProt ID
Synonyms
PIP5KIIA, PIP5KIIalpha
Mode of action
Inhibitor
Negative control
BAY-0361
Affinity biochemical assay type
Enzymatic assay (Eurofins)
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
CETSA (intact K-562 cells)
Affinity on-target cellular source knowledge
Selectivity platform
Kinase panel (Eurofins)
Selectivity platform number of targets
373
Selectivity remarks
Screened at 1 µM, clean selectivity profile with no kinase inhibited >60%; Screened at 10 µM against 77 targets outside the target family (Eurofins safety panel), closest targets as % of inhibition: TBXAS1 (98%), HTR2B (98%), MAOB (81%), PDE3 (74%), PDE5A (62%);
Selectivity Source Knowledge
Compound image 
BAY-0361
Protein Kinase
PIP4K2A
IC50 = 271
EC50 > 30000
Kinase set
1 µM
Compound EUbOPEN ID
EUB0001565a
SMILES
CC[C@@H](Nc1c(C#N)c(-c2ccc(-c3cccc(C)c3F)cc2)nc2cnccc12)C(=O)O
InChIKey
DVIVLYHDLNAXAT-OAQYLSRUSA-N
NCBI gene ID
UniProt ID
Synonyms
PIP5KIIA, PIP5KIIalpha
Mode of action
Negative control for BAY-091
Affinity biochemical assay type
Enzymatic assay (Eurofins)
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
CETSA (intact K-562 cells)
Affinity on-target cellular source knowledge
Compound image 
BI-5026
Protein Kinase
IKBKB
IC50 > 10000
IC50 > 20000
Kinase set
1 µM
Compound EUbOPEN ID
EUB0001576a
SMILES
CN(C)C(=O)c1sc2nc(N3CCC(S(C)(=O)=O)CC3)cc(C(F)(F)F)c2c1N
InChIKey
HHYGVXHXNNIDJF-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
IKK2, NFKBIKB, IKK-beta, IKKB
Mode of action
Negative control for BI 605906
Affinity biochemical assay type
Enzymatic inhibition assay
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
NanoBRET assay (HEK293T cells)
Affinity on-target cellular source knowledge
Selectivity platform
GPCR panel (PDSP screen)
Selectivity platform number of targets
45
Selectivity remarks
Screened at 10 µM, in-vitro potencies of closest targets: Ki(SLC6A3) = 4270.11 nM, Ki(TMEM97) = 7307.71 nM
Selectivity Source Knowledge
Compound image 
PIM447
Protein Kinase
PIM1
Ki = 0.006
Kinase set
1 µM
Compound EUbOPEN ID
EUB0001581a
SMILES
C[C@@H]1C[C@H](N)C[C@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)C1
InChIKey
VRQXRVAKPDCRCI-ZNMIVQPWSA-N
NCBI gene ID
UniProt ID
Mode of action
inhibitor
Affinity biochemical assay type
AlphaScreen assay (2800 μM ATP)
Affinity Biochemical Source Knowledge
Selectivity platform
KinomeScan (DiscoverX)
Selectivity platform number of targets
442
Selectivity remarks
Screened at 1 µM, closest targets as % of control: MAPK15 (2.5%), others >20%;
Selectivity Source Knowledge
Compound image 
PIM447
Protein Kinase
PIM2
Ki = 0.018
Kinase set
1 µM
Compound EUbOPEN ID
EUB0001581a
SMILES
C[C@@H]1C[C@H](N)C[C@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)C1
InChIKey
VRQXRVAKPDCRCI-ZNMIVQPWSA-N
NCBI gene ID
UniProt ID
Mode of action
inhibitor
Affinity biochemical assay type
AlphaScreen assay (500 µM ATP)
Affinity Biochemical Source Knowledge
Selectivity platform
KinomeScan (DiscoverX)
Selectivity platform number of targets
442
Selectivity remarks
Screened at 1 µM, closest targets as % of control: MAPK15 (2.5%), others >20%;
Selectivity Source Knowledge
Compound image 
PIM447
Protein Kinase
PIM3
Ki = 0.009
Kinase set
1 µM
Compound EUbOPEN ID
EUB0001581a
SMILES
C[C@@H]1C[C@H](N)C[C@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)C1
InChIKey
VRQXRVAKPDCRCI-ZNMIVQPWSA-N
NCBI gene ID
UniProt ID
Mode of action
inhibitor
Affinity biochemical assay type
AlphaScreen assay (2800 μM ATP)
Affinity Biochemical Source Knowledge
Selectivity platform
KinomeScan (DiscoverX)
Selectivity platform number of targets
442
Selectivity remarks
Screened at 1 µM, closest targets as % of control: MAPK15 (2.5%), others >20%;
Selectivity Source Knowledge
Compound image 
PF-06447475
Protein Kinase
LRRK2
IC50 = 3
IC50 = 84
Kinase set
100 nM
Compound EUbOPEN ID
EUB0001619a
SMILES
N#Cc1cccc(-c2c[nH]c3ncnc(N4CCOCC4)c23)c1
InChIKey
BHTWDJBVZQBRKP-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
ROCO2, DKFZp434H2111, FLJ45829, RIPK7
Mode of action
Inhibitor
Affinity biochemical assay type
Lanthascreen assay (Invitrogen, using 117 µM ATP)
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
NanoBRET assay (in HEK293T cells)
Affinity on-target cellular source knowledge
Selectivity platform
KinomeScan (DiscoverX)
Selectivity platform number of targets
360
Selectivity remarks
Screened at 1 µM, closest targets as % of contr: MAP3K3(8.2%), MAP4K2(3.4%), JAK3(2.7%), MST2(1.8%), MAP4K3(4.8%), RIOK3(4.8%), RSK4(9.8%), MST4(7%), PRKCE(12%), MEK1(13%), EGFR(L747-E749del, 14%), EGFR(L747-S752del,14%), MEK5(14%), MEST1(18%), MEK2(19%), PIP5K1A(20%); In-vitro potency of closest targets (Z-Lyte assay assay, Invitrogen, using 7.75 µM ATP): IC50(MST4) = 178 nM, https://pubs.acs.org/doi/10.1021/jm5014055;
Selectivity Source Knowledge
Compound image 
PF-06447475
Protein Kinase
STK3
IC50 = 22
IC50 = 197
Kinase set
100 nM
Compound EUbOPEN ID
EUB0001619a
SMILES
N#Cc1cccc(-c2c[nH]c3ncnc(N4CCOCC4)c23)c1
InChIKey
BHTWDJBVZQBRKP-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
MST2, KRS1
Mode of action
Inhibitor
Affinity biochemical assay type
Z-Lyte assay assay (Invitrogen, using 7.75 µM ATP)
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
NanoBRET assay (in HEK293T cells)
Affinity on-target cellular source knowledge
Selectivity platform
KinomeScan (DiscoverX)
Selectivity platform number of targets
360
Selectivity remarks
Screened at 1 µM, closest targets as % of contr: MAP3K3(8.2%), MAP4K2(3.4%), JAK3(2.7%), MST2(1.8%), MAP4K3(4.8%), RIOK3(4.8%), RSK4(9.8%), MST4(7%), PRKCE(12%), MEK1(13%), EGFR(L747-E749del, 14%), EGFR(L747-S752del,14%), MEK5(14%), MEST1(18%), MEK2(19%), PIP5K1A(20%); In-vitro potency of closest targets (Z-Lyte assay assay, Invitrogen, using 7.75 µM ATP): IC50(MST4) = 178 nM, https://pubs.acs.org/doi/10.1021/jm5014055;
Selectivity Source Knowledge
Compound image 
MSC2530818
Protein Kinase
CDK8
IC50 = 2.6
IC50 = 6.5
Kinase set
100 nM
Compound EUbOPEN ID
EUB0001623a
SMILES
Cc1n[nH]c2ncc(C(=O)N3CCC[C@H]3c3ccc(Cl)cc3)cc12
InChIKey
ODRITQGYYWHQGM-INIZCTEOSA-N
NCBI gene ID
UniProt ID
Synonyms
K35
Mode of action
Inhibitor
Affinity biochemical assay type
FRET-based Lanthascreen binding competition assay
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
7dF3 WNT-specific reporter gene assay
Affinity on-target cellular source knowledge
Selectivity platform
Kinase panel (literature)
Selectivity platform number of targets
264
Selectivity remarks
Screened at 1 µM, closest targets as % of inhibition: P70S6K (47%), SGK (39%), CDK1 (cyclinB, 2%), CDK2 (cyclinA, -7%), CDK2 (cyclinE, 18%), CDK3 (cyclinE, 2%), CDK5(p25, -1%), CDK5 (p35, -1%), CDK6 (cyclinD3, 12%), CDK7 (cyclinH/MAT1, 7%), CDK9 (cyclinT1, 13%); In-vitro potency of closest targets (enzymatic assays): IC50(GSK3A) = 691 nM, IC50(FLT3) >30 µM, IC50(NTRK3) >30 µM; Screened at 10 µM against 59 receptors and ion channels (CEREP panel, binding assay), closest targets as % of inhibition: A1 (48%), D2 (54%); In-vitro potency of closest targets (CEREP binding assay): IC50(D2) = 8.5 µM, https://pubs.acs.org/doi/10.1021/acs.jmedchem.6b00597#;
Selectivity Source Knowledge
Compound image 
Atuveciclib
Protein Kinase
CDK9
IC50 = 13
Kinase set
1 µM
Compound EUbOPEN ID
EUB0001631a
SMILES
COc1cc(F)ccc1-c1ncnc(Nc2cccc(CS(C)(=N)=O)c2)n1
InChIKey
ACWKGTGIJRCOOM-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
PITALRE, C-2k, TAK
Mode of action
inhibitor
Affinity biochemical assay type
TR-FRET assay (inhibition of CDK9/cyclinT1 phosphorylation using 10 µM ATP)
Affinity Biochemical Source Knowledge
Selectivity platform
KinaseProfilerTM (Merck Millipore)
Selectivity platform number of targets
230
Selectivity remarks
Screened at 10 µM, closest targets as % of contr.: GSK3B (3%), GSK3A (4%), KIT (6%), CDK3 (cyclinE, 10%), EPHB1 (11%), CAMK2B (13%), CDK2 (cyclinE, 13%), CDK1 (cyclinE, 14%), YES (14%), ARG (16%), CDK5(p35, 20%), EPHA1 (20%), NTRK1(20%), CAMK2G (21%), CAMK2D (22%), LYN(23%), FYN(24%), MLK1(24%), IRAK1(27%), SRC(28%), FGR(29%), FLT4(30%); In-vitro potency of closest targets (Merck Millipore kinase assay using 10 µM ATP): IC50(ARG) = 2843 nM, IC50(CAMK2B) = 1650 nM, IC50(CAMK2G) = 2081 nM, IC50(CAMK2D) = 3340 nM, IC50(SRC) = 5293 nM, IC50(EPHA1) = 1737 nM, IC50(EPHB1) = 2032 nM, IC50(FGR) = 7754 nM, IC50(GSK3A) = 45 nM, IC50(GSK3B) = 87 nM, IC50(IRAK1) = 5454 nM, IC50(LYN) = 3514 nM, IC50(MLK1) = 3010 nM, IC50(YES) = 1495 nM;
Selectivity Source Knowledge
Compound image 
SR-4835
Protein Kinase
CDK12
Kd = 98
Kinase set
1 µM
Compound EUbOPEN ID
EUB0001632a
SMILES
Cn1cc(-n2cnc3c(NCc4nc5cc(Cl)c(Cl)cc5[nH]4)nc(N4CCOCC4)nc32)cn1
InChIKey
FSELUFUYNUNZKD-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
CRK7, CRKR, KIAA0904
Mode of action
inhibitor
Affinity biochemical assay type
Competition- binding assay (DiscoverX)
Affinity Biochemical Source Knowledge
Selectivity platform
Kinase panel (Z′-LYTE Assay)
Selectivity platform number of targets
272
Selectivity remarks
Screened at 10 µM, closest targets as % of inhibition (using ATP = Km app): GSK3B (89%), GSK3A (82.2%), CSNK1E(48.9%); Screened at 10 µM against 31 kinases (Adapta Assay using ATP = Km app), closest targets as % of inhibition: LRRK2(I2020T, 100%), LRRK2 (100%), LRRK2(R1441C, 96.1%), LRRK2 (G2019S, 95%), SPHK2(67.7%), PIK3CD/PIK3R1 (p110 delta/p85 alpha, 66%), PIK3C2B (PI3K-C2 beta, 64.1%), CDK9/cyclin T1 (63.9%), SPHK1 (53.7%), GSG2 (45%), https://pubmed.ncbi.nlm.nih.gov/31668947/; In-vitro potency (enzymatic assay on full-lenght LRRK2): IC50(LRRK2) >10 µM, https://pubmed.ncbi.nlm.nih.gov/31668947/; Screened at 10 µM against 162 kinases (LanthaScreen Eu Kinase Binding Assay), closest targets as % of inhibition: TAOK1 (31.8%), CDK8/cyclinC (17%), CDK16(PCTK1)/cyclinY (15%), NLK(13.4%), CLK4(12.3%), SIK3(12.2%), https://pubmed.ncbi.nlm.nih.gov/31668947/; Screened at 10 µM against 20 kinases (Rxn Biology kinase assay using 10 µM ATP), targets as % of inhibition: GSK3B (96.5%), GSK3A (90.6%), CDK6/cyclin D1 (83.4%), CDK6/cyclin D3 (52.7%), CDK4/cyclin D1(46.7%), CDK4/cyclin D3(46.3%), MEK2(8.7%), AKT3(6.7%), MAPK1(5.8%), MEK1(4.5%), AXL(4.1%), EGFR(3.4%), ERBB2(2.6%), AKT2(1.6%), AKT1(0.2%), ERK1(-5.8%), MAPK15 (-25.6%), MAPK7(-29.8%), MET(-31.5%), MAPK7(-42.4%), https://pubmed.ncbi.nlm.nih.gov/31668947/;
Selectivity Source Knowledge
Compound image 
SR-4835
Protein Kinase
CDK13
Kd = 4.9
Kinase set
1 µM
Compound EUbOPEN ID
EUB0001632a
SMILES
Cn1cc(-n2cnc3c(NCc4nc5cc(Cl)c(Cl)cc5[nH]4)nc(N4CCOCC4)nc32)cn1
InChIKey
FSELUFUYNUNZKD-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
CHED, CDC2L, KIAA1791
Mode of action
inhibitor
Affinity biochemical assay type
Competition- binding assay (DiscoverX)
Affinity Biochemical Source Knowledge
Selectivity platform
Kinase panel (Z′-LYTE Assay)
Selectivity platform number of targets
272
Selectivity remarks
Screened at 10 µM, closest targets as % of inhibition (using ATP = Km app): GSK3B (89%), GSK3A (82.2%), CSNK1E(48.9%); Screened at 10 µM against 31 kinases (Adapta Assay using ATP = Km app), closest targets as % of inhibition: LRRK2(I2020T, 100%), LRRK2 (100%), LRRK2(R1441C, 96.1%), LRRK2 (G2019S, 95%), SPHK2(67.7%), PIK3CD/PIK3R1 (p110 delta/p85 alpha, 66%), PIK3C2B (PI3K-C2 beta, 64.1%), CDK9/cyclin T1 (63.9%), SPHK1 (53.7%), GSG2 (45%), https://pubmed.ncbi.nlm.nih.gov/31668947/; In-vitro potency (enzymatic assay on full-lenght LRRK2): IC50(LRRK2) >10 µM, https://pubmed.ncbi.nlm.nih.gov/31668947/; Screened at 10 µM against 162 kinases (LanthaScreen Eu Kinase Binding Assay), closest targets as % of inhibition: TAOK1 (31.8%), CDK8/cyclinC (17%), CDK16(PCTK1)/cyclinY (15%), NLK(13.4%), CLK4(12.3%), SIK3(12.2%), https://pubmed.ncbi.nlm.nih.gov/31668947/; Screened at 10 µM against 20 kinases (Rxn Biology kinase assay using 10 µM ATP), targets as % of inhibition: GSK3B (96.5%), GSK3A (90.6%), CDK6/cyclin D1 (83.4%), CDK6/cyclin D3 (52.7%), CDK4/cyclin D1(46.7%), CDK4/cyclin D3(46.3%), MEK2(8.7%), AKT3(6.7%), MAPK1(5.8%), MEK1(4.5%), AXL(4.1%), EGFR(3.4%), ERBB2(2.6%), AKT2(1.6%), AKT1(0.2%), ERK1(-5.8%), MAPK15 (-25.6%), MAPK7(-29.8%), MET(-31.5%), MAPK7(-42.4%), https://pubmed.ncbi.nlm.nih.gov/31668947/;
Selectivity Source Knowledge
Compound image 
YKL 5-124
Protein Kinase
CDK7
IC50 = 9.7
IC50 = 62.5
Kinase set
1 µM
Compound EUbOPEN ID
EUB0001635a
SMILES
C=CC(=O)Nc1ccc(C(=O)Nc2n[nH]c3c2CN(C(=O)N[C@H](CN(C)C)c2ccccc2)C3(C)C)cc1
InChIKey
KPABJHHKKJIDGX-JOCHJYFZSA-N
NCBI gene ID
UniProt ID
Synonyms
CAK1, CDKN7, MO15, STK1, CAK
Mode of action
Covalent inhibitor
Affinity biochemical assay type
Adapta Eu kinase assay (for CDK7/CycH/MNAT1 using ATP = Km)
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
Radioactive in vitro kinase assays (from cellular wild-type CDK7 immunoprecipitated in HeLa cells)
Affinity on-target cellular source knowledge
Selectivity platform
Kinase panel (KiNativ target engagement assay in Jurkat cells)
Selectivity platform number of targets
233
Selectivity remarks
Screened at 1 µM, closest targets as % of engagement: CDK7 (95.5%), MARK4(93.3%), AMPK1 (54.4%), AMPK2(53.5%), MST3(41.8%), CAMK2G (35.8%), CAMK2D(34.1%), TBK1(32.4%), SNRK(30.4%)
Selectivity Source Knowledge
Compound image 
BIIB068
Protein Kinase
BTK
Kd = 0.3
Kinase set
1 µM
Compound EUbOPEN ID
EUB0001868a
SMILES
Cc1cc(-c2ccnc(Nc3cnn(C)c3)n2)ccc1CNC(=O)N1CC(OC(C)C)C1
InChIKey
BMWMKGNVAMXXCH-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
ATK, XLA, PSCTK1
Mode of action
inhibitor
Affinity biochemical assay type
Competition-binding assay (DiscoverX)
Affinity Biochemical Source Knowledge
Selectivity platform
KINOMEscan (DiscoverX)
Selectivity platform number of targets
395
Selectivity remarks
Screened at 1 µM, closest targets as % of contr.: MAP3K19 (9%), AAK1 (22%), ABL1(21%), BMP2K (18%), BTK (2.9%), CDKL2 (15%), JAK1 (29%), MST4 (42%), NLK(46%), PIP5K1A (28%), RIOK1 (17%), RIOK3 (19%), RPS6KA5 (42%), SRC (31%), STK16 (23%), TEC (46%), TIE1 (46%), TYK2 (47%); In-vitro potency of closest targets (Competition-binding assay, DiscoverX): Kd(AAK1) = 430 nM, Kd(BMP2K) = 1100 nM, Kd(BTK) = 0.3 nM, Kd(CDKL2) = 420 nM, Kd(JAK2) = 460 nM, Kd(PIP5K1A) >10000 nM, Kd(RIOK1) = 1200 nM, Kd(RIOK2) = 2400 nM, Kd(CDK7) = 880 nM, Kd(MAP3K19) = 130 nM, https://pubmed.ncbi.nlm.nih.gov/32696648/; Screened at 10 µM against 68 non-kinase targets, in-vitro potency of closest targets: IC50(A3) = 4.2 µM, IC50(H2) = 26.5 µM, https://pubmed.ncbi.nlm.nih.gov/32696648/;
Selectivity Source Knowledge
Compound image 
SGC-PIKFYVE-1N
Protein Kinase
PIKFYVE
IC50 = 715
IC50 > 10000
Kinase set
100 nM
Compound EUbOPEN ID
EUB0001877a
SMILES
NC1=NC2=C(CCCCC3=C2C4=C(C=CC(C5CC5)=C4)N3)C=N1
InChIKey
XIVFOAKTTGQHLJ-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Synonyms
CFD, FAB1, HEL37, PIP5K, PIP5K3, ZFYVE29
Mode of action
Negative control for SGC-PIKFYVE
Affinity biochemical assay type
Enzymatic assay
Affinity Biochemical Source Knowledge
Affinity on-target cellular assay type
NanoBRET assay (HEK293T cells)
Affinity on-target cellular source knowledge
Selectivity platform
Kinome Scan (DiscoverX)
Selectivity platform number of targets
403
Selectivity remarks
Screened at 1 µM, closest target as % of contr.: MAST1 (32%), S-score(35) = 0.002 at 1 µM;
Selectivity Source Knowledge
Compound image 