1. Chemogenomics
  2. Chemogenomic set

Chemogenomic set

The CSV file with compounds approved for a chemogenomic set can be downloaded from here.

The CSV file also including compounds not included in the final 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
Valerenic acid
Nuclear Receptors
NR2B2
EC50 0 5200
Nuclear Receptor set
10 µM
Compound EUbOPEN ID
EUB0003324a
SMILES
CC1=C2[C@@H](CC[C@H]([C@]2(CC1)[H])C)/C=C(C)/C(O)=O
InChIKey
FEBNTWHYQKGEIQ-SUKRRCERSA-N
NCBI gene ID
UniProt ID
Mode of action
Agonist
Affinity on-target cellular assay type
Gal4 reporter gene assay
Affinity on-target cellular source knowledge
https://doi.org/10.1021/acs.jmedchem.8b00494
Selectivity remarks
Screened at 10 µM against NR1A1, NR1B1, NR1C1, NR1C2, NR1C3, NR1D1, NR1F3, NR1H3, NR1H4, NR1I1, NR1I3, NR2A1, NR2B1, NR2C1, NR2C2, NR2E1, NR2E3, NR4A1, NR5A1 and VP16 in a Gal4 hybrid reporter gene assay (HEK293T cells were cotransfected with pFR-Luc reporter, pRL-SV40 control reporter and pFA-CMV
Selectivity Source Knowledge
https://doi.org/10.1021/acsptsci.4c00719
Compound image
Chemical structure of compound EUB0003324a
Parecoxib
Nuclear Receptors
NR4A1
Kd 1600
IC50 0 23700
Nuclear Receptor set
50 µM
Compound EUbOPEN ID
EUB0003325a
SMILES
CC1=C(C2=CC=C(S(NC(CC)=O)(=O)=O)C=C2)C(C3=CC=CC=C3)=NO1
InChIKey
TZRHLKRLEZJVIJ-UHFFFAOYSA-N
NCBI gene ID
3164
UniProt ID
P22736
Synonyms
TR3, N10, NAK-1, NGFIB, NUR77
Mode of action
Inverse Agonist
Affinity biochemical assay type
ITC (NR4A2)
Affinity on-target cellular assay type
Gal4 hybrid reporter gene assay (HEK293T cells were cotransfected with pFR-Luc reporter, pRL-SV40 control reporter and pFA-CMV-hNur77-LBD or pFA-CMV-hNurr1-LBD, or pFA-CMV-hNOR1-LBD expression plasmid)
Affinity on-target cellular source knowledge
https://doi.org/10.1038/s42004-020-0331-0
Selectivity remarks
Screened at 50 µM against NR1A1, NR1B1, NR1C3, NR1F3, NR1H3, NR1H4, NR1I3, NR2A1, NR2B1, NR5A2 and VP16 in a Gal4 hybrid reporter gene assay (HEK293T cells were cotransfected with pFR-Luc reporter, pRL-SV40 control reporter and pFA-CMV containing the Gal4-DBD fused with human NR-LBD of interest or pECE-SV40-Gal4-VP16)
Compound image
Chemical structure of compound EUB0003325a
Parecoxib
Nuclear Receptors
NR4A2
Kd 1600
IC50 0 13400
Nuclear Receptor set
50 µM
Compound EUbOPEN ID
EUB0003325a
SMILES
CC1=C(C2=CC=C(S(NC(CC)=O)(=O)=O)C=C2)C(C3=CC=CC=C3)=NO1
InChIKey
TZRHLKRLEZJVIJ-UHFFFAOYSA-N
NCBI gene ID
4929
UniProt ID
P43354
Synonyms
TINUR, NOT, RNR1, HZF-3
Mode of action
Inverse Agonist
Affinity biochemical assay type
ITC (NR4A2)
Affinity on-target cellular assay type
Gal4 hybrid reporter gene assay (HEK293T cells were cotransfected with pFR-Luc reporter, pRL-SV40 control reporter and pFA-CMV-hNur77-LBD or pFA-CMV-hNurr1-LBD, or pFA-CMV-hNOR1-LBD expression plasmid)
Affinity on-target cellular source knowledge
https://doi.org/10.1038/s42004-020-0331-0
Selectivity remarks
Screened at 50 µM against NR1A1, NR1B1, NR1C3, NR1F3, NR1H3, NR1H4, NR1I3, NR2A1, NR2B1, NR5A2 and VP16 in a Gal4 hybrid reporter gene assay (HEK293T cells were cotransfected with pFR-Luc reporter, pRL-SV40 control reporter and pFA-CMV containing the Gal4-DBD fused with human NR-LBD of interest or pECE-SV40-Gal4-VP16)
Compound image
Chemical structure of compound EUB0003325a
Parecoxib
Nuclear Receptors
NR4A3
Kd 1600
IC50 0 25000
Nuclear Receptor set
50 µM
Compound EUbOPEN ID
EUB0003325a
SMILES
CC1=C(C2=CC=C(S(NC(CC)=O)(=O)=O)C=C2)C(C3=CC=CC=C3)=NO1
InChIKey
TZRHLKRLEZJVIJ-UHFFFAOYSA-N
NCBI gene ID
8013
UniProt ID
Q92570
Synonyms
CSMF, CHN, NOR1, MINOR
Mode of action
Inverse Agonist
Affinity biochemical assay type
ITC (NR4A2)
Affinity on-target cellular assay type
Gal4 hybrid reporter gene assay (HEK293T cells were cotransfected with pFR-Luc reporter, pRL-SV40 control reporter and pFA-CMV-hNur77-LBD or pFA-CMV-hNurr1-LBD, or pFA-CMV-hNOR1-LBD expression plasmid)
Affinity on-target cellular source knowledge
https://doi.org/10.1038/s42004-020-0331-0
Selectivity remarks
Screened at 50 µM against NR1A1, NR1B1, NR1C3, NR1F3, NR1H3, NR1H4, NR1I3, NR2A1, NR2B1, NR5A2 and VP16 in a Gal4 hybrid reporter gene assay (HEK293T cells were cotransfected with pFR-Luc reporter, pRL-SV40 control reporter and pFA-CMV containing the Gal4-DBD fused with human NR-LBD of interest or pECE-SV40-Gal4-VP16)
Compound image
Chemical structure of compound EUB0003325a
GFS105
Nuclear Receptors
NR2E1
IC50 0 1000
Nuclear Receptor set
3 µM
Compound EUbOPEN ID
EUB0003328a
SMILES
CC1=CN(C=N1)C2=CC(C(F)(F)F)=CC(NC(C3=CC(OCCCC)=NC4=C3C=CC=C4)=O)=C2
InChIKey
RTKBIHCZDFXHLC-UHFFFAOYSA-N
NCBI gene ID
7101
UniProt ID
Q9Y466
Synonyms
TLL, XTLL
Mode of action
Agonist
Affinity on-target cellular assay type
Gal4 reporter gene assay
Affinity on-target cellular source knowledge
https://doi.org/10.1021/acs.jmedchem.1c01757
Selectivity remarks
Screened at 3 µM against NR1A1, NR1B1, NR1C1, NR1C2, NR1C3, NR1D1, NR1F3, NR1H3, NR1H4, NR1I1, NR1I3, NR2A1, NR2B1, NR2C1, NR2C2, NR2E1, NR2E3, NR4A1, NR5A1 and VP16 in a Gal4 hybrid reporter gene assay (HEK293T cells were cotransfected with pFR-Luc reporter, pRL-SV40 control reporter and pFA-CMV
Selectivity Source Knowledge
https://doi.org/10.1021/acsptsci.4c00719
Compound image
Chemical structure of compound EUB0003328a
Biliverdine
Nuclear Receptors
NR2E3
EC50 0 5
Nuclear Receptor set
1 µM
Compound EUbOPEN ID
EUB0003329a
SMILES
CC1=C(/C(N/C1=C/C2=NC(C(C=C)=C2C)=O)=C/C3=C(C(C)=C(N3)/C=C4C(C=C)=C(C(N\4)=O)C)CCC(O)=O)CCC(O)=O
InChIKey
RCNSAJSGRJSBKK-LFKMQHSASA-N
NCBI gene ID
10002
UniProt ID
Q9Y5X4
Synonyms
PNR, rd7, RP37
Mode of action
Agonist
Affinity on-target cellular assay type
Gal4 reporter gene assay
Affinity on-target cellular source knowledge
https://doi.org/10.1038/s41598-022-11502-3
Selectivity remarks
Screened at 1 µM against NR1A1, NR1B1, NR1C1, NR1C2, NR1C3, NR1D1, NR1F3, NR1H3, NR1H4, NR1I1, NR1I3, NR2A1, NR2B1, NR2C1, NR2C2, NR2E1, NR2E3, NR4A1, NR5A1 and VP16 in a Gal4 hybrid reporter gene assay (HEK293T cells were cotransfected with pFR-Luc reporter, pRL-SV40 control reporter and pFA-CMV
Selectivity Source Knowledge
https://doi.org/10.1021/acsptsci.4c00719
Compound image
Chemical structure of compound EUB0003329a
(R,R)-THC
Nuclear Receptors
NR3A1
EC50 0 4
Nuclear Receptor set
1 µM
Compound EUbOPEN ID
EUB0003330a
SMILES
CC[C@@H]1CC2=C(C=CC(=C2)O)C3=C1C4=C(C[C@H]3CC)C=C(C=C4)O
InChIKey
MASYAWHPJCQLSW-ZIAGYGMSSA-N
NCBI gene ID
UniProt ID
Mode of action
Agonist, Antagonist
Affinity on-target cellular assay type
Reporter gene assay (HEC-1 cells were transfected with a (ERE)3-pS2-CAT, ?-galactosidase as control and reporter expression vectors for ER? or Er?)
Affinity on-target cellular source knowledge
https://doi.org/10.1210/endo.140.2.6480 , https://doi.org/10.1021/jm990101b
Selectivity platform
Nuclear receptor panel, bromodomain and kinase panel, literature
Selectivity platform number of targets
23
Selectivity remarks
Screened at 1 µM against NR1A1, NR1B1, NR1C3, NR1F3, NR1H3, NR1I1, NR1I2, NR1I3, NR2A1, NR2B1, NR4A1, NR5A2 and VP16 in a Gal4 hybrid reporter gene assay (HEK293T cells were cotransfected with pFR-Luc reporter, pRL-SV40 control reporter and pFA-CMV containing the Gal4-DBD fused with human NR-LBD of interest or pECE-SV40-Gal4-VP16): clean selectivty profile with no significant agonism/antagonism detected; Screened at 20 µM in a bromodomain and kinase panel against ABL1, AURKA, BRD4, BRPF1, CDK2, CSNK1D, FGFR3, GSK3B, MAPK1, TRIM24 in DSF assays: ?Tm(ABL1) = 5.33 K, all other bromodomains and kinases ?Tm < 2 K; IC50 = 1310 nM (NR1H4; FRET-Assay) reported in literature
Selectivity Source Knowledge
https://doi.org/10.1016/j.bmc.2013.04.069
Compound image
Chemical structure of compound EUB0003330a
(R,R)-THC
Nuclear Receptors
NR3A2
IC50 0 4
Nuclear Receptor set
1 µM
Compound EUbOPEN ID
EUB0003330a
SMILES
CC[C@@H]1CC2=C(C=CC(=C2)O)C3=C1C4=C(C[C@H]3CC)C=C(C=C4)O
InChIKey
MASYAWHPJCQLSW-ZIAGYGMSSA-N
NCBI gene ID
UniProt ID
Mode of action
Agonist, Antagonist
Affinity on-target cellular assay type
Reporter gene assay (HEC-1 cells were transfected with a (ERE)3-pS2-CAT, ?-galactosidase as control and reporter expression vectors for ER? or Er?)
Affinity on-target cellular source knowledge
https://doi.org/10.1210/endo.140.2.6480 , https://doi.org/10.1021/jm990101b
Selectivity platform
Nuclear receptor panel, bromodomain and kinase panel, literature
Selectivity platform number of targets
23
Selectivity remarks
Screened at 1 µM against NR1A1, NR1B1, NR1C3, NR1F3, NR1H3, NR1I1, NR1I2, NR1I3, NR2A1, NR2B1, NR4A1, NR5A2 and VP16 in a Gal4 hybrid reporter gene assay (HEK293T cells were cotransfected with pFR-Luc reporter, pRL-SV40 control reporter and pFA-CMV containing the Gal4-DBD fused with human NR-LBD of interest or pECE-SV40-Gal4-VP16): clean selectivty profile with no significant agonism/antagonism detected; Screened at 20 µM in a bromodomain and kinase panel against ABL1, AURKA, BRD4, BRPF1, CDK2, CSNK1D, FGFR3, GSK3B, MAPK1, TRIM24 in DSF assays: ?Tm(ABL1) = 5.33 K, all other bromodomains and kinases ?Tm < 2 K; IC50 = 1310 nM (NR1H4; FRET-Assay) reported in literature
Selectivity Source Knowledge
https://doi.org/10.1016/j.bmc.2013.04.069
Compound image
Chemical structure of compound EUB0003330a
DY131
Nuclear Receptors
NR3B3
EC50 0 n.d.
Nuclear Receptor set
1 µM
Compound EUbOPEN ID
EUB0003331a
SMILES
CCN(CC)C1=CC=C(C=C1)C=NNC(=O)C2=CC=C(C=C2)O
InChIKey
WLKOCYWYAWBGKY-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Mode of action
Agonist
Affinity on-target cellular assay type
Gal4 reporter gene assay (CV-1 cells, 1.9 fold-activation on NR3B2 at 3 µM)
Affinity on-target cellular source knowledge
https://doi.org/10.1016/j.bmcl.2005.01.025
Selectivity platform
Nuclear receptor panel, bromodomain and kinase panel
Selectivity platform number of targets
23
Selectivity remarks
Screened at 1 µM against NR1A1, NR1B1, NR1C3, NR1F3, NR1H3, NR1I1, NR1I2, NR1I3, NR2A1, NR2B1, NR4A1, NR5A2 and VP16 in a Gal4 hybrid reporter gene assay (HEK293T cells were cotransfected with pFR-Luc reporter, pRL-SV40 control reporter and pFA-CMV containing the Gal4-DBD fused with human NR-LBD of interest or pECE-SV40-Gal4-VP16): fold-activation = 1.62 (NR1F3) and 1.95 (NR2A1); Screened at 20 µM in a bromodomain and kinase panel against ABL1, AURKA, BRD4, BRPF1, CDK2, CSNK1D, FGFR3, GSK3B, MAPK1, TRIM24 in DSF assays: clean selectivity profile with no significant binding (?Tm < 2 K)
Compound image
Chemical structure of compound EUB0003331a
DY131
Nuclear Receptors
NR3B2
EC50 0 n.d.
Nuclear Receptor set
1 µM
Compound EUbOPEN ID
EUB0003331a
SMILES
CCN(CC)C1=CC=C(C=C1)C=NNC(=O)C2=CC=C(C=C2)O
InChIKey
WLKOCYWYAWBGKY-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Mode of action
Agonist
Affinity on-target cellular assay type
Gal4 reporter gene assay (CV-1 cells, 1.9 fold-activation on NR3B2 at 3 µM)
Affinity on-target cellular source knowledge
https://doi.org/10.1016/j.bmcl.2005.01.025
Selectivity platform
Nuclear receptor panel, bromodomain and kinase panel
Selectivity platform number of targets
23
Selectivity remarks
Screened at 1 µM against NR1A1, NR1B1, NR1C3, NR1F3, NR1H3, NR1I1, NR1I2, NR1I3, NR2A1, NR2B1, NR4A1, NR5A2 and VP16 in a Gal4 hybrid reporter gene assay (HEK293T cells were cotransfected with pFR-Luc reporter, pRL-SV40 control reporter and pFA-CMV containing the Gal4-DBD fused with human NR-LBD of interest or pECE-SV40-Gal4-VP16): fold-activation = 1.62 (NR1F3) and 1.95 (NR2A1); Screened at 20 µM in a bromodomain and kinase panel against ABL1, AURKA, BRD4, BRPF1, CDK2, CSNK1D, FGFR3, GSK3B, MAPK1, TRIM24 in DSF assays: clean selectivity profile with no significant binding (?Tm < 2 K)
Compound image
Chemical structure of compound EUB0003331a
GSK9027
Nuclear Receptors
NR3C1
EC50 0 10
Nuclear Receptor set
1 µM
Compound EUbOPEN ID
EUB0003332a
SMILES
C1=CC=C(C=C1)CS(=O)(=O)NC2=CC(=C(C=C2)C3=CC4=C(C=C3)N(N=C4)C5=CC=C(C=C5)F)C(F)(F)F
InChIKey
DXBJGDVBQPEMOB-UHFFFAOYSA-N
NCBI gene ID
2908
UniProt ID
P04150
Synonyms
GR
Mode of action
Agonist
Affinity on-target cellular assay type
cell-based
Affinity on-target cellular source knowledge
https://doi.org/10.1021/jm100447c
Selectivity platform
Nuclear receptor panel, bromodomain and kinase panel
Selectivity platform number of targets
23
Selectivity remarks
Screened at 1 µM against NR1A1, NR1B1, NR1C3, NR1F3, NR1H3, NR1I1, NR1I2, NR1I3, NR2A1, NR2B1, NR4A1, NR5A2 and VP16 in a Gal4 hybrid reporter gene assay (HEK293T cells were cotransfected with pFR-Luc reporter, pRL-SV40 control reporter and pFA-CMV containing the Gal4-DBD fused with human NR-LBD of interest or pECE-SV40-Gal4-VP16): clean selectivty profile with no significant agonism/antagonism detected; Screened at 20 µM in a bromodomain and kinase panel against ABL1, AURKA, BRD4, BRPF1, CDK2, CSNK1D, FGFR3, GSK3B, MAPK1, TRIM24 in DSF assays: clean selectivity profile with no significant binding (?Tm < 2 K)
Compound image
Chemical structure of compound EUB0003332a
Mapracorat
Nuclear Receptors
NR3C1
EC50 0 1.6
Nuclear Receptor set
1 µM
Compound EUbOPEN ID
EUB0003334a
SMILES
CC1=NC2=C(C=C1)C(=CC=C2)NC[C@](CC(C)(C)C3=CC(=CC4=C3OCC4)F)(C(F)(F)F)O
InChIKey
VJGFOYBQOIPQFY-XMMPIXPASA-N
NCBI gene ID
2908
UniProt ID
P04150
Synonyms
GR
Mode of action
Agonist
Affinity on-target cellular assay type
Reporter gene assay
Affinity on-target cellular source knowledge
https://doi.org/10.1111/j.1476-5381.2009.00238.x
Selectivity platform
Nuclear receptor panel, bromodomain and kinase panel
Selectivity platform number of targets
23
Selectivity remarks
Screened at 1 µM against NR1A1, NR1B1, NR1C3, NR1F3, NR1H3, NR1I1, NR1I2, NR1I3, NR2A1, NR2B1, NR4A1, NR5A2 and VP16 in a Gal4 hybrid reporter gene assay (HEK293T cells were cotransfected with pFR-Luc reporter, pRL-SV40 control reporter and pFA-CMV containing the Gal4-DBD fused with human NR-LBD of interest or pECE-SV40-Gal4-VP16): clean selectivty profile with no significant agonism/antagonism detected; Screened at 20 µM in a bromodomain and kinase panel against ABL1, AURKA, BRD4, BRPF1, CDK2, CSNK1D, FGFR3, GSK3B, MAPK1, TRIM24 in DSF assays: clean selectivity profile with no significant binding (?Tm < 2 K)
Compound image
Chemical structure of compound EUB0003334a
BMS564929
Nuclear Receptors
NR3C4
EC50 0 0.7
Nuclear Receptor set
1 µM
Compound EUbOPEN ID
EUB0003335a
SMILES
CC1=C(C=CC(=C1Cl)C#N)N2C(=O)C3C(CCN3C2=O)O
InChIKey
KEJORAMIZFOODM-PWSUYJOCSA-N
NCBI gene ID
UniProt ID
Mode of action
Agonist
Affinity on-target cellular assay type
cell-based
Affinity on-target cellular source knowledge
https://doi.org/10.1021/jm070312d , https://doi.org/10.1016/j.bmcl.2007.01.076
Selectivity platform
Nuclear receptor panel, bromodomain and kinase panel
Selectivity platform number of targets
23
Selectivity remarks
Screened at 1 µM against NR1A1, NR1B1, NR1C3, NR1F3, NR1H3, NR1I1, NR1I2, NR1I3, NR2A1, NR2B1, NR4A1, NR5A2 and VP16 in a Gal4 hybrid reporter gene assay (HEK293T cells were cotransfected with pFR-Luc reporter, pRL-SV40 control reporter and pFA-CMV containing the Gal4-DBD fused with human NR-LBD of interest or pECE-SV40-Gal4-VP16): clean selectivty profile with no significant agonism/antagonism detected; Screened at 20 µM in a bromodomain and kinase panel against ABL1, AURKA, BRD4, BRPF1, CDK2, CSNK1D, FGFR3, GSK3B, MAPK1, TRIM24 in DSF assays: clean selectivity profile with no significant binding (?Tm < 2 K)
Compound image
Chemical structure of compound EUB0003335a
DZ104
Nuclear Receptors
NR4A3
Kd 400
IC50 0 n.d.
Nuclear Receptor set
10 µM
Compound EUbOPEN ID
EUB0003336a
SMILES
O=C(OC)C1=CN(C)C2=CC=C(C3=CC=CN=C3)C=C21
InChIKey
CPJVLZDDECEONQ-UHFFFAOYSA-N
NCBI gene ID
8013
UniProt ID
Q92570
Synonyms
CSMF, CHN, NOR1, MINOR
Mode of action
Inverse Agonist
Affinity biochemical assay type
ITC (NR4A2)
Affinity on-target cellular assay type
Gal4 hybrid reporter gene assay (HEK293T cells were cotransfected with pFR-Luc reporter, pRL-SV40 control reporter and pFA-CMV-hNurr1-LBD expression plasmid)
Affinity on-target cellular source knowledge
https://doi.org/10.1021/acs.jmedchem.1c01077
Selectivity remarks
Screened at 10 µM against NR1A1, NR1B1, NR1C3, NR1F3, NR1H3, NR1H4, NR1I3, NR2A1, NR2B1, NR5A2 and VP16 in a Gal4 hybrid reporter gene assay (HEK293T cells were cotransfected with pFR-Luc reporter, pRL-SV40 control reporter and pFA-CMV containing the Gal4-DBD fused with human NR-LBD of interest or pECE-SV40-Gal4-VP16)
Compound image
Chemical structure of compound EUB0003336a
DZ104
Nuclear Receptors
NR4A1
Kd 400
IC50 0 n.d.
Nuclear Receptor set
10 µM
Compound EUbOPEN ID
EUB0003336a
SMILES
O=C(OC)C1=CN(C)C2=CC=C(C3=CC=CN=C3)C=C21
InChIKey
CPJVLZDDECEONQ-UHFFFAOYSA-N
NCBI gene ID
3164
UniProt ID
P22736
Synonyms
TR3, N10, NAK-1, NGFIB, NUR77
Mode of action
Inverse Agonist
Affinity biochemical assay type
ITC (NR4A2)
Affinity on-target cellular assay type
Gal4 hybrid reporter gene assay (HEK293T cells were cotransfected with pFR-Luc reporter, pRL-SV40 control reporter and pFA-CMV-hNurr1-LBD expression plasmid)
Affinity on-target cellular source knowledge
https://doi.org/10.1021/acs.jmedchem.1c01077
Selectivity remarks
Screened at 10 µM against NR1A1, NR1B1, NR1C3, NR1F3, NR1H3, NR1H4, NR1I3, NR2A1, NR2B1, NR5A2 and VP16 in a Gal4 hybrid reporter gene assay (HEK293T cells were cotransfected with pFR-Luc reporter, pRL-SV40 control reporter and pFA-CMV containing the Gal4-DBD fused with human NR-LBD of interest or pECE-SV40-Gal4-VP16)
Compound image
Chemical structure of compound EUB0003336a
DZ104
Nuclear Receptors
NR4A2
Kd 400
IC50 0 3800
Nuclear Receptor set
10 µM
Compound EUbOPEN ID
EUB0003336a
SMILES
O=C(OC)C1=CN(C)C2=CC=C(C3=CC=CN=C3)C=C21
InChIKey
CPJVLZDDECEONQ-UHFFFAOYSA-N
NCBI gene ID
4929
UniProt ID
P43354
Synonyms
TINUR, NOT, RNR1, HZF-3
Mode of action
Inverse Agonist
Affinity biochemical assay type
ITC (NR4A2)
Affinity on-target cellular assay type
Gal4 hybrid reporter gene assay (HEK293T cells were cotransfected with pFR-Luc reporter, pRL-SV40 control reporter and pFA-CMV-hNurr1-LBD expression plasmid)
Affinity on-target cellular source knowledge
https://doi.org/10.1021/acs.jmedchem.1c01077
Selectivity remarks
Screened at 10 µM against NR1A1, NR1B1, NR1C3, NR1F3, NR1H3, NR1H4, NR1I3, NR2A1, NR2B1, NR5A2 and VP16 in a Gal4 hybrid reporter gene assay (HEK293T cells were cotransfected with pFR-Luc reporter, pRL-SV40 control reporter and pFA-CMV containing the Gal4-DBD fused with human NR-LBD of interest or pECE-SV40-Gal4-VP16)
Compound image
Chemical structure of compound EUB0003336a
ME43
Nuclear Receptors
NR4A1
Kd 120
EC50 0 40
Nuclear Receptor set
3 µM
Compound EUbOPEN ID
EUB0003337a
SMILES
O=C(Nc1cnc2ccccc2c1)c1cc2[nH]ccc2cc1Cl
InChIKey
ZJPUSKBFLQMYJU-UHFFFAOYSA-N
NCBI gene ID
3164
UniProt ID
P22736
Synonyms
TR3, N10, NAK-1, NGFIB, NUR77
Mode of action
Agonist
Affinity biochemical assay type
ITC (NR4A2)
Affinity Biochemical Source Knowledge
https://doi.org/10.1021/acs.jmedchem.4c03104
Affinity on-target cellular assay type
Gal4 hybrid reporter gene assay (HEK293T cells were cotransfected with pFR-Luc reporter, pRL-SV40 control reporter and pFA-CMV-hNur77-LBD or pFA-CMV-hNurr1-LBD, or pFA-CMV-hNOR1-LBD expression plasmid)
Affinity on-target cellular source knowledge
https://doi.org/10.1021/acs.jmedchem.4c03104
Selectivity remarks
Screened at 3 µM against NR1A1, NR1B1, NR1C3, NR1F3, NR1H3, NR1H4, NR1I3, NR2A1, NR2B1, NR5A2 and VP16 in a Gal4 hybrid reporter gene assay (HEK293T cells were cotransfected with pFR-Luc reporter, pRL-SV40 control reporter and pFA-CMV containing the Gal4-DBD fused with human NR-LBD of interest or pECE-SV40-Gal4-VP16): EC50 = 1500 nM (NR1I2, binding assay)
Selectivity Source Knowledge
https://doi.org/10.1021/acs.jmedchem.4c03104
Compound image
Chemical structure of compound EUB0003337a
ME43
Nuclear Receptors
NR4A2
Kd 120
EC50 0 60
Nuclear Receptor set
3 µM
Compound EUbOPEN ID
EUB0003337a
SMILES
O=C(Nc1cnc2ccccc2c1)c1cc2[nH]ccc2cc1Cl
InChIKey
ZJPUSKBFLQMYJU-UHFFFAOYSA-N
NCBI gene ID
4929
UniProt ID
P43354
Synonyms
TINUR, NOT, RNR1, HZF-3
Mode of action
Agonist
Affinity biochemical assay type
ITC (NR4A2)
Affinity Biochemical Source Knowledge
https://doi.org/10.1021/acs.jmedchem.4c03104
Affinity on-target cellular assay type
Gal4 hybrid reporter gene assay (HEK293T cells were cotransfected with pFR-Luc reporter, pRL-SV40 control reporter and pFA-CMV-hNur77-LBD or pFA-CMV-hNurr1-LBD, or pFA-CMV-hNOR1-LBD expression plasmid)
Affinity on-target cellular source knowledge
https://doi.org/10.1021/acs.jmedchem.4c03104
Selectivity remarks
Screened at 3 µM against NR1A1, NR1B1, NR1C3, NR1F3, NR1H3, NR1H4, NR1I3, NR2A1, NR2B1, NR5A2 and VP16 in a Gal4 hybrid reporter gene assay (HEK293T cells were cotransfected with pFR-Luc reporter, pRL-SV40 control reporter and pFA-CMV containing the Gal4-DBD fused with human NR-LBD of interest or pECE-SV40-Gal4-VP16): EC50 = 1500 nM (NR1I2, binding assay)
Selectivity Source Knowledge
https://doi.org/10.1021/acs.jmedchem.4c03104
Compound image
Chemical structure of compound EUB0003337a
ME43
Nuclear Receptors
NR4A3
Kd 120
EC50 0 70
Nuclear Receptor set
3 µM
Compound EUbOPEN ID
EUB0003337a
SMILES
O=C(Nc1cnc2ccccc2c1)c1cc2[nH]ccc2cc1Cl
InChIKey
ZJPUSKBFLQMYJU-UHFFFAOYSA-N
NCBI gene ID
8013
UniProt ID
Q92570
Synonyms
CSMF, CHN, NOR1, MINOR
Mode of action
Agonist
Affinity biochemical assay type
ITC (NR4A2)
Affinity Biochemical Source Knowledge
https://doi.org/10.1021/acs.jmedchem.4c03104
Affinity on-target cellular assay type
Gal4 hybrid reporter gene assay (HEK293T cells were cotransfected with pFR-Luc reporter, pRL-SV40 control reporter and pFA-CMV-hNur77-LBD or pFA-CMV-hNurr1-LBD, or pFA-CMV-hNOR1-LBD expression plasmid)
Affinity on-target cellular source knowledge
https://doi.org/10.1021/acs.jmedchem.4c03104
Selectivity remarks
Screened at 3 µM against NR1A1, NR1B1, NR1C3, NR1F3, NR1H3, NR1H4, NR1I3, NR2A1, NR2B1, NR5A2 and VP16 in a Gal4 hybrid reporter gene assay (HEK293T cells were cotransfected with pFR-Luc reporter, pRL-SV40 control reporter and pFA-CMV containing the Gal4-DBD fused with human NR-LBD of interest or pECE-SV40-Gal4-VP16): EC50 = 1500 nM (NR1I2, binding assay)
Selectivity Source Knowledge
https://doi.org/10.1021/acs.jmedchem.4c03104
Compound image
Chemical structure of compound EUB0003337a
MS184
Nuclear Receptors
NR4A1
Kd 170
EC50 0 330
Nuclear Receptor set
0,3 µM
Compound EUbOPEN ID
EUB0003338a
SMILES
ClC1=CC=CN2C1=NC(C)=C2NC(C3=CC=C(C4=CC=C(N(C)C)C=C4)O3)=O
InChIKey
HGXSOLYLDMLDRI-UHFFFAOYSA-N
NCBI gene ID
3164
UniProt ID
P22736
Synonyms
TR3, N10, NAK-1, NGFIB, NUR77
Mode of action
Agonist
Affinity biochemical assay type
ITC (NR4A2)
Affinity Biochemical Source Knowledge
https://doi.org/10.1038/s42004-024-01224-0
Affinity on-target cellular assay type
Gal4 hybrid reporter gene assay (HEK293T cells were cotransfected with pFR-Luc reporter, pRL-SV40 control reporter and pFA-CMV-hNur77-LBD or pFA-CMV-hNurr1-LBD, or pFA-CMV-hNOR1-LBD expression plasmid)
Affinity on-target cellular source knowledge
https://doi.org/10.1038/s42004-024-01224-0
Selectivity remarks
Screened at 0.3 µM and 3 µM against NR1A1, NR1B1, NR1C1, NR1C2, NR1C3, NR1F3, NR1H3, NR1H4, NR1I1, NR1I3, NR2A1, NR2B1, NR5A2 and VP16 in a Gal4 hybrid reporter gene assay (HEK293T cells were cotransfected with pFR-Luc reporter, pRL-SV40 control reporter and pFA-CMV containing the Gal4-DBD fused with human NR-LBD of interest or pECE-SV40-Gal4-VP16): clean selectivty profile with no significant agonism/antagonism
Selectivity Source Knowledge
https://doi.org/10.1038/s42004-024-01224-0
Compound image
Chemical structure of compound EUB0003338a
MS184
Nuclear Receptors
NR4A2
Kd 170
EC50 0 90
Nuclear Receptor set
0,3 µM
Compound EUbOPEN ID
EUB0003338a
SMILES
ClC1=CC=CN2C1=NC(C)=C2NC(C3=CC=C(C4=CC=C(N(C)C)C=C4)O3)=O
InChIKey
HGXSOLYLDMLDRI-UHFFFAOYSA-N
NCBI gene ID
4929
UniProt ID
P43354
Synonyms
TINUR, NOT, RNR1, HZF-3
Mode of action
Agonist
Affinity biochemical assay type
ITC (NR4A2)
Affinity Biochemical Source Knowledge
https://doi.org/10.1038/s42004-024-01224-0
Affinity on-target cellular assay type
Gal4 hybrid reporter gene assay (HEK293T cells were cotransfected with pFR-Luc reporter, pRL-SV40 control reporter and pFA-CMV-hNur77-LBD or pFA-CMV-hNurr1-LBD, or pFA-CMV-hNOR1-LBD expression plasmid)
Affinity on-target cellular source knowledge
https://doi.org/10.1038/s42004-024-01224-0
Selectivity remarks
Screened at 0.3 µM and 3 µM against NR1A1, NR1B1, NR1C1, NR1C2, NR1C3, NR1F3, NR1H3, NR1H4, NR1I1, NR1I3, NR2A1, NR2B1, NR5A2 and VP16 in a Gal4 hybrid reporter gene assay (HEK293T cells were cotransfected with pFR-Luc reporter, pRL-SV40 control reporter and pFA-CMV containing the Gal4-DBD fused with human NR-LBD of interest or pECE-SV40-Gal4-VP16): clean selectivty profile with no significant agonism/antagonism
Selectivity Source Knowledge
https://doi.org/10.1038/s42004-024-01224-0
Compound image
Chemical structure of compound EUB0003338a
MS184
Nuclear Receptors
NR4A3
Kd 170
EC50 0 110
Nuclear Receptor set
0,3 µM
Compound EUbOPEN ID
EUB0003338a
SMILES
ClC1=CC=CN2C1=NC(C)=C2NC(C3=CC=C(C4=CC=C(N(C)C)C=C4)O3)=O
InChIKey
HGXSOLYLDMLDRI-UHFFFAOYSA-N
NCBI gene ID
8013
UniProt ID
Q92570
Synonyms
CSMF, CHN, NOR1, MINOR
Mode of action
Agonist
Affinity biochemical assay type
ITC (NR4A2)
Affinity Biochemical Source Knowledge
https://doi.org/10.1038/s42004-024-01224-0
Affinity on-target cellular assay type
Gal4 hybrid reporter gene assay (HEK293T cells were cotransfected with pFR-Luc reporter, pRL-SV40 control reporter and pFA-CMV-hNur77-LBD or pFA-CMV-hNurr1-LBD, or pFA-CMV-hNOR1-LBD expression plasmid)
Affinity on-target cellular source knowledge
https://doi.org/10.1038/s42004-024-01224-0
Selectivity remarks
Screened at 0.3 µM and 3 µM against NR1A1, NR1B1, NR1C1, NR1C2, NR1C3, NR1F3, NR1H3, NR1H4, NR1I1, NR1I3, NR2A1, NR2B1, NR5A2 and VP16 in a Gal4 hybrid reporter gene assay (HEK293T cells were cotransfected with pFR-Luc reporter, pRL-SV40 control reporter and pFA-CMV containing the Gal4-DBD fused with human NR-LBD of interest or pECE-SV40-Gal4-VP16): clean selectivty profile with no significant agonism/antagonism
Selectivity Source Knowledge
https://doi.org/10.1038/s42004-024-01224-0
Compound image
Chemical structure of compound EUB0003338a
Fluvastatin
Nuclear Receptors
NR4A1
Kd 600
EC50 0 220
Nuclear Receptor set
6 µM
Compound EUbOPEN ID
EUB0003339a
SMILES
CC(C)N1C2=CC=CC=C2C(C3=CC=C(F)C=C3)=C1/C=C/[C@@H](O)C[C@@H](O)CC(O)=O
InChIKey
FJLGEFLZQAZZCD-MCBHFWOFSA-N
NCBI gene ID
3164
UniProt ID
P22736
Synonyms
TR3, N10, NAK-1, NGFIB, NUR77
Mode of action
Agonist
Affinity biochemical assay type
ITC (NR4A2)
Affinity on-target cellular assay type
Gal4 hybrid reporter gene assay (HEK293T cells were cotransfected with pFR-Luc reporter, pRL-SV40 control reporter and pFA-CMV-hNurr1-LBD expression plasmid)
Affinity on-target cellular source knowledge
https://doi.org/10.1002/advs.202104640
Selectivity remarks
Screened at 6 µM against NR1A1, NR1B1, NR1C3, NR1F3, NR1H3, NR1H4, NR1I3, NR2A1, NR2B1, NR5A2 and VP16 in a Gal4 hybrid reporter gene assay (HEK293T cells were cotransfected with pFR-Luc reporter, pRL-SV40 control reporter and pFA-CMV containing the Gal4-DBD fused with human NR-LBD of interest or pECE-SV40-Gal4-VP16)
Compound image
Chemical structure of compound EUB0003339a
Fluvastatin
Nuclear Receptors
NR4A2
Kd 600
EC50 0 1900
Nuclear Receptor set
6 µM
Compound EUbOPEN ID
EUB0003339a
SMILES
CC(C)N1C2=CC=CC=C2C(C3=CC=C(F)C=C3)=C1/C=C/[C@@H](O)C[C@@H](O)CC(O)=O
InChIKey
FJLGEFLZQAZZCD-MCBHFWOFSA-N
NCBI gene ID
4929
UniProt ID
P43354
Synonyms
TINUR, NOT, RNR1, HZF-3
Mode of action
Agonist
Affinity biochemical assay type
ITC (NR4A2)
Affinity on-target cellular assay type
Gal4 hybrid reporter gene assay (HEK293T cells were cotransfected with pFR-Luc reporter, pRL-SV40 control reporter and pFA-CMV-hNurr1-LBD expression plasmid)
Affinity on-target cellular source knowledge
https://doi.org/10.1002/advs.202104640
Selectivity remarks
Screened at 6 µM against NR1A1, NR1B1, NR1C3, NR1F3, NR1H3, NR1H4, NR1I3, NR2A1, NR2B1, NR5A2 and VP16 in a Gal4 hybrid reporter gene assay (HEK293T cells were cotransfected with pFR-Luc reporter, pRL-SV40 control reporter and pFA-CMV containing the Gal4-DBD fused with human NR-LBD of interest or pECE-SV40-Gal4-VP16)
Compound image
Chemical structure of compound EUB0003339a
Fluvastatin
Nuclear Receptors
NR4A3
Kd 600
EC50 0 180
Nuclear Receptor set
6 µM
Compound EUbOPEN ID
EUB0003339a
SMILES
CC(C)N1C2=CC=CC=C2C(C3=CC=C(F)C=C3)=C1/C=C/[C@@H](O)C[C@@H](O)CC(O)=O
InChIKey
FJLGEFLZQAZZCD-MCBHFWOFSA-N
NCBI gene ID
8013
UniProt ID
Q92570
Synonyms
CSMF, CHN, NOR1, MINOR
Mode of action
Agonist
Affinity biochemical assay type
ITC (NR4A2)
Affinity on-target cellular assay type
Gal4 hybrid reporter gene assay (HEK293T cells were cotransfected with pFR-Luc reporter, pRL-SV40 control reporter and pFA-CMV-hNurr1-LBD expression plasmid)
Affinity on-target cellular source knowledge
https://doi.org/10.1002/advs.202104640
Selectivity remarks
Screened at 6 µM against NR1A1, NR1B1, NR1C3, NR1F3, NR1H3, NR1H4, NR1I3, NR2A1, NR2B1, NR5A2 and VP16 in a Gal4 hybrid reporter gene assay (HEK293T cells were cotransfected with pFR-Luc reporter, pRL-SV40 control reporter and pFA-CMV containing the Gal4-DBD fused with human NR-LBD of interest or pECE-SV40-Gal4-VP16)
Compound image
Chemical structure of compound EUB0003339a
Simvastatin
Nuclear Receptors
NR4A1
Kd 1300
EC50 0 1800
Nuclear Receptor set
10 µM
Compound EUbOPEN ID
EUB0003340a
SMILES
O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(C=C[C@H](C)[C@@H]2CC[C@@H]3C[C@@H](O)CC(O3)=O)=C[C@H](C)C1
InChIKey
RYMZZMVNJRMUDD-HGQWONQESA-N
NCBI gene ID
3164
UniProt ID
P22736
Synonyms
TR3, N10, NAK-1, NGFIB, NUR77
Mode of action
Agonist
Affinity biochemical assay type
ITC (NR4A2)
Affinity on-target cellular assay type
Gal4 hybrid reporter gene assay (HEK293T cells were cotransfected with pFR-Luc reporter, pRL-SV40 control reporter and pFA-CMV-hNurr1-LBD expression plasmid)
Affinity on-target cellular source knowledge
https://doi.org/10.1002/advs.202104640
Selectivity remarks
Screened at 10 µM against NR1A1, NR1B1, NR1C3, NR1F3, NR1H3, NR1H4, NR1I3, NR2A1, NR2B1, NR5A2 and VP16 in a Gal4 hybrid reporter gene assay (HEK293T cells were cotransfected with pFR-Luc reporter, pRL-SV40 control reporter and pFA-CMV containing the Gal4-DBD fused with human NR-LBD of interest or pECE-SV40-Gal4-VP16)
Compound image
Chemical structure of compound EUB0003340a
Simvastatin
Nuclear Receptors
NR4A2
Kd 1300
EC50 0 5100
Nuclear Receptor set
10 µM
Compound EUbOPEN ID
EUB0003340a
SMILES
O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(C=C[C@H](C)[C@@H]2CC[C@@H]3C[C@@H](O)CC(O3)=O)=C[C@H](C)C1
InChIKey
RYMZZMVNJRMUDD-HGQWONQESA-N
NCBI gene ID
4929
UniProt ID
P43354
Synonyms
TINUR, NOT, RNR1, HZF-3
Mode of action
Agonist
Affinity biochemical assay type
ITC (NR4A2)
Affinity on-target cellular assay type
Gal4 hybrid reporter gene assay (HEK293T cells were cotransfected with pFR-Luc reporter, pRL-SV40 control reporter and pFA-CMV-hNurr1-LBD expression plasmid)
Affinity on-target cellular source knowledge
https://doi.org/10.1002/advs.202104640
Selectivity remarks
Screened at 10 µM against NR1A1, NR1B1, NR1C3, NR1F3, NR1H3, NR1H4, NR1I3, NR2A1, NR2B1, NR5A2 and VP16 in a Gal4 hybrid reporter gene assay (HEK293T cells were cotransfected with pFR-Luc reporter, pRL-SV40 control reporter and pFA-CMV containing the Gal4-DBD fused with human NR-LBD of interest or pECE-SV40-Gal4-VP16)
Compound image
Chemical structure of compound EUB0003340a
Simvastatin
Nuclear Receptors
NR4A3
Kd 1300
EC50 0 2500
Nuclear Receptor set
10 µM
Compound EUbOPEN ID
EUB0003340a
SMILES
O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(C=C[C@H](C)[C@@H]2CC[C@@H]3C[C@@H](O)CC(O3)=O)=C[C@H](C)C1
InChIKey
RYMZZMVNJRMUDD-HGQWONQESA-N
NCBI gene ID
8013
UniProt ID
Q92570
Synonyms
CSMF, CHN, NOR1, MINOR
Mode of action
Agonist
Affinity biochemical assay type
ITC (NR4A2)
Affinity on-target cellular assay type
Gal4 hybrid reporter gene assay (HEK293T cells were cotransfected with pFR-Luc reporter, pRL-SV40 control reporter and pFA-CMV-hNurr1-LBD expression plasmid)
Affinity on-target cellular source knowledge
https://doi.org/10.1002/advs.202104640
Selectivity remarks
Screened at 10 µM against NR1A1, NR1B1, NR1C3, NR1F3, NR1H3, NR1H4, NR1I3, NR2A1, NR2B1, NR5A2 and VP16 in a Gal4 hybrid reporter gene assay (HEK293T cells were cotransfected with pFR-Luc reporter, pRL-SV40 control reporter and pFA-CMV containing the Gal4-DBD fused with human NR-LBD of interest or pECE-SV40-Gal4-VP16)
Compound image
Chemical structure of compound EUB0003340a
Enzalutamide
Nuclear Receptors
NR3C4
IC50 0 361
Nuclear Receptor set
1 µM
Compound EUbOPEN ID
EUB0003341a
SMILES
CC1(C(=O)N(C(=S)N1C2=CC(=C(C=C2)C(=O)NC)F)C3=CC(=C(C=C3)C#N)C(F)(F)F)C
InChIKey
WXCXUHSOUPDCQV-UHFFFAOYSA-N
NCBI gene ID
UniProt ID
Mode of action
Antagonist
Affinity on-target cellular assay type
Reporter gene assay (AR-UAS-bla GripTite™ 293 cells)
Affinity on-target cellular source knowledge
https://doi.org/10.1016/j.bmcl.2016.06.001
Selectivity platform
Nuclear receptor panel, bromodomain and kinase panel
Selectivity platform number of targets
23
Selectivity remarks
Screened at 1 µM against NR1A1, NR1B1, NR1C3, NR1F3, NR1H3, NR1I1, NR1I2, NR1I3, NR2A1, NR2B1, NR4A1, NR5A2 and VP16 in a Gal4 hybrid reporter gene assay (HEK293T cells were cotransfected with pFR-Luc reporter, pRL-SV40 control reporter and pFA-CMV containing the Gal4-DBD fused with human NR-LBD of interest or pECE-SV40-Gal4-VP16): clean selectivty profile with no significant agonism/antagonism detected; Screened at 20 µM in a bromodomain and kinase panel against ABL1, AURKA, BRD4, BRPF1, CDK2, CSNK1D, FGFR3, GSK3B, MAPK1, TRIM24 in DSF assays: clean selectivity profile with no significant binding (?Tm < 2 K)
Compound image
Chemical structure of compound EUB0003341a
Vidofludimus
Nuclear Receptors
NR4A1
Kd 700
EC50 0 3100
Nuclear Receptor set
10 µM
Compound EUbOPEN ID
EUB0003342a
SMILES
O=C(C1=C(C(O)=O)CCC1)NC2=C(F)C=C(C3=CC=CC(OC)=C3)C=C2
InChIKey
XPRDUGXOWVXZLL-UHFFFAOYSA-N
NCBI gene ID
3164
UniProt ID
P22736
Synonyms
TR3, N10, NAK-1, NGFIB, NUR77
Mode of action
Agonist
Affinity biochemical assay type
ITC (NR4A2)
Affinity Biochemical Source Knowledge
https://doi.org/10.1021/acs.jmedchem.3c00415
Affinity on-target cellular assay type
Gal4 hybrid reporter gene assay (HEK293T cells were cotransfected with pFR-Luc reporter, pRL-SV40 control reporter and pFA-CMV-hNur77-LBD or pFA-CMV-hNurr1-LBD, or pFA-CMV-hNOR1-LBD expression plasmid)
Affinity on-target cellular source knowledge
https://doi.org/10.1021/acs.jmedchem.3c00415
Selectivity remarks
Screened at 1 and 10 µM against NR1A1, NR1B1, NR1C3, NR1F3, NR1H3, NR1H4, NR1I1, NR1I3, NR2A1, NR2B1, NR5A2 and VP16 in a Gal4 hybrid reporter gene assay (HEK293T cells were cotransfected with pFR-Luc reporter, pRL-SV40 control reporter and pFA-CMV containing the Gal4-DBD fused with human NR-LBD of interest or pECE-SV40-Gal4-VP16)
Selectivity Source Knowledge
https://doi.org/10.1021/acs.jmedchem.3c00415
Compound image
Chemical structure of compound EUB0003342a
Vidofludimus
Nuclear Receptors
NR4A2
Kd 700
EC50 0 400
Nuclear Receptor set
1 µM
Compound EUbOPEN ID
EUB0003342a
SMILES
O=C(C1=C(C(O)=O)CCC1)NC2=C(F)C=C(C3=CC=CC(OC)=C3)C=C2
InChIKey
XPRDUGXOWVXZLL-UHFFFAOYSA-N
NCBI gene ID
4929
UniProt ID
P43354
Synonyms
TINUR, NOT, RNR1, HZF-3
Mode of action
Agonist
Affinity biochemical assay type
ITC (NR4A2)
Affinity Biochemical Source Knowledge
https://doi.org/10.1021/acs.jmedchem.3c00415
Affinity on-target cellular assay type
Gal4 hybrid reporter gene assay (HEK293T cells were cotransfected with pFR-Luc reporter, pRL-SV40 control reporter and pFA-CMV-hNur77-LBD or pFA-CMV-hNurr1-LBD, or pFA-CMV-hNOR1-LBD expression plasmid)
Affinity on-target cellular source knowledge
https://doi.org/10.1021/acs.jmedchem.3c00415
Selectivity remarks
Screened at 1 and 10 µM against NR1A1, NR1B1, NR1C3, NR1F3, NR1H3, NR1H4, NR1I1, NR1I3, NR2A1, NR2B1, NR5A2 and VP16 in a Gal4 hybrid reporter gene assay (HEK293T cells were cotransfected with pFR-Luc reporter, pRL-SV40 control reporter and pFA-CMV containing the Gal4-DBD fused with human NR-LBD of interest or pECE-SV40-Gal4-VP16)
Selectivity Source Knowledge
https://doi.org/10.1021/acs.jmedchem.3c00415
Compound image
Chemical structure of compound EUB0003342a
Vidofludimus
Nuclear Receptors
NR4A3
Kd 700
EC50 0 2900
10 µM
Compound EUbOPEN ID
EUB0003342a
SMILES
O=C(C1=C(C(O)=O)CCC1)NC2=C(F)C=C(C3=CC=CC(OC)=C3)C=C2
InChIKey
XPRDUGXOWVXZLL-UHFFFAOYSA-N
NCBI gene ID
8013
UniProt ID
Q92570
Synonyms
CSMF, CHN, NOR1, MINOR
Mode of action
Agonist
Affinity biochemical assay type
ITC (NR4A2)
Affinity Biochemical Source Knowledge
https://doi.org/10.1021/acs.jmedchem.3c00415
Affinity on-target cellular assay type
Gal4 hybrid reporter gene assay (HEK293T cells were cotransfected with pFR-Luc reporter, pRL-SV40 control reporter and pFA-CMV-hNur77-LBD or pFA-CMV-hNurr1-LBD, or pFA-CMV-hNOR1-LBD expression plasmid)
Affinity on-target cellular source knowledge
https://doi.org/10.1021/acs.jmedchem.3c00415
Selectivity remarks
Screened at 1 and 10 µM against NR1A1, NR1B1, NR1C3, NR1F3, NR1H3, NR1H4, NR1I1, NR1I3, NR2A1, NR2B1, NR5A2 and VP16 in a Gal4 hybrid reporter gene assay (HEK293T cells were cotransfected with pFR-Luc reporter, pRL-SV40 control reporter and pFA-CMV containing the Gal4-DBD fused with human NR-LBD of interest or pECE-SV40-Gal4-VP16)
Selectivity Source Knowledge
https://doi.org/10.1021/acs.jmedchem.3c00415
Compound image
Chemical structure of compound EUB0003342a
CPD53
Nuclear Receptors
NR4A1
Kd 1000
IC50 0 37000
Nuclear Receptor set
50 µM
Compound EUbOPEN ID
EUB0003343a
SMILES
CN(C)C(=O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1
InChIKey
JZMZNOFEMDPCKX-UHFFFAOYSA-N
NCBI gene ID
3164
UniProt ID
P22736
Synonyms
TR3, N10, NAK-1, NGFIB, NUR77
Mode of action
Inverse Agonist
Affinity biochemical assay type
ITC (NR4A2)
Affinity Biochemical Source Knowledge
https://doi.org/10.1021/acs.jmedchem.4c01218
Affinity on-target cellular assay type
Gal4 hybrid reporter gene assay (HEK293T cells were cotransfected with pFR-Luc reporter, pRL-SV40 control reporter and pFA-CMV-hNur77-LBD or pFA-CMV-hNurr1-LBD, or pFA-CMV-hNOR1-LBD expression plasmid)
Affinity on-target cellular source knowledge
https://doi.org/10.1021/acs.jmedchem.4c01218
Selectivity remarks
Screened at 50 µM against NR1A1, NR1B1, NR1,C1, NR1C2, NR1C3, NR1F3, NR1H3, NR1H4, NR1I1, NR1I2, NR1I3, NR2A1, NR2B1, NR2B2, NR2B3, NR5A2 and VP16 in a Gal4 hybrid reporter gene assay (HEK293T cells were cotransfected with pFR-Luc reporter, pRL-SV40 control reporter and pFA-CMV containing the Gal4-DBD fused with human NR-LBD of interest or pECE-SV40-Gal4-VP16)
Compound image
Chemical structure of compound EUB0003343a
CPD53
Nuclear Receptors
NR4A2
Kd 1000
IC50 0 26000
Nuclear Receptor set
50 µM
Compound EUbOPEN ID
EUB0003343a
SMILES
CN(C)C(=O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1
InChIKey
JZMZNOFEMDPCKX-UHFFFAOYSA-N
NCBI gene ID
4929
UniProt ID
P43354
Synonyms
TINUR, NOT, RNR1, HZF-3
Mode of action
Inverse Agonist
Affinity biochemical assay type
ITC (NR4A2)
Affinity Biochemical Source Knowledge
https://doi.org/10.1021/acs.jmedchem.4c01218
Affinity on-target cellular assay type
Gal4 hybrid reporter gene assay (HEK293T cells were cotransfected with pFR-Luc reporter, pRL-SV40 control reporter and pFA-CMV-hNur77-LBD or pFA-CMV-hNurr1-LBD, or pFA-CMV-hNOR1-LBD expression plasmid)
Affinity on-target cellular source knowledge
https://doi.org/10.1021/acs.jmedchem.4c01218
Selectivity remarks
Screened at 50 µM against NR1A1, NR1B1, NR1,C1, NR1C2, NR1C3, NR1F3, NR1H3, NR1H4, NR1I1, NR1I2, NR1I3, NR2A1, NR2B1, NR2B2, NR2B3, NR5A2 and VP16 in a Gal4 hybrid reporter gene assay (HEK293T cells were cotransfected with pFR-Luc reporter, pRL-SV40 control reporter and pFA-CMV containing the Gal4-DBD fused with human NR-LBD of interest or pECE-SV40-Gal4-VP16)
Compound image
Chemical structure of compound EUB0003343a
CPD53
Nuclear Receptors
NR4A3
Kd 1000
IC50 0 39000
Nuclear Receptor set
50 µM
Compound EUbOPEN ID
EUB0003343a
SMILES
CN(C)C(=O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1
InChIKey
JZMZNOFEMDPCKX-UHFFFAOYSA-N
NCBI gene ID
8013
UniProt ID
Q92570
Synonyms
CSMF, CHN, NOR1, MINOR
Mode of action
Inverse Agonist
Affinity biochemical assay type
ITC (NR4A2)
Affinity Biochemical Source Knowledge
https://doi.org/10.1021/acs.jmedchem.4c01218
Affinity on-target cellular assay type
Gal4 hybrid reporter gene assay (HEK293T cells were cotransfected with pFR-Luc reporter, pRL-SV40 control reporter and pFA-CMV-hNur77-LBD or pFA-CMV-hNurr1-LBD, or pFA-CMV-hNOR1-LBD expression plasmid)
Affinity on-target cellular source knowledge
https://doi.org/10.1021/acs.jmedchem.4c01218
Selectivity remarks
Screened at 50 µM against NR1A1, NR1B1, NR1,C1, NR1C2, NR1C3, NR1F3, NR1H3, NR1H4, NR1I1, NR1I2, NR1I3, NR2A1, NR2B1, NR2B2, NR2B3, NR5A2 and VP16 in a Gal4 hybrid reporter gene assay (HEK293T cells were cotransfected with pFR-Luc reporter, pRL-SV40 control reporter and pFA-CMV containing the Gal4-DBD fused with human NR-LBD of interest or pECE-SV40-Gal4-VP16)
Compound image
Chemical structure of compound EUB0003343a
8-Phenyltheophylline
Nuclear Receptors
NR2E1
IC50 0 500
Nuclear Receptor set
3 µM
Compound EUbOPEN ID
EUB0003344a
SMILES
O=C(C(N1)=C(N2C)N=C1C3=CC=CC=C3)N(C)C2=O
InChIKey
PJFMAVHETLRJHJ-UHFFFAOYSA-N
NCBI gene ID
7101
UniProt ID
Q9Y466
Synonyms
TLL, XTLL
Mode of action
Inverse Agonist
Affinity on-target cellular assay type
Gal4 reporter gene assay
Affinity on-target cellular source knowledge
https://doi.org/10.1021/acsptsci.1c00195
Selectivity remarks
Screened at 3 µM against NR1A1, NR1B1, NR1C1, NR1C2, NR1C3, NR1D1, NR1F3, NR1H3, NR1H4, NR1I1, NR1I3, NR2A1, NR2B1, NR2C1, NR2C2, NR2E1, NR2E3, NR4A1, NR5A1 and VP16 in a Gal4 hybrid reporter gene assay (HEK293T cells were cotransfected with pFR-Luc reporter, pRL-SV40 control reporter and pFA-CMV
Selectivity Source Knowledge
https://doi.org/10.1021/acsptsci.4c00719
Compound image
Chemical structure of compound EUB0003344a