Compound name
Elimusertib
Protein family
Protein Kinase
Target name
ATR
Affinity biochemical (nM)
7
Affinity on-target cellular (nM)
36
CG-Set
Kinase set
Recommended Concentration
100 nM
Compound EUbOPEN ID
EUB0002916a
SMILES
CN1N=CC=C1C2=C(C=CN=C3C4=CC=NN4)C3=NC(N5[C@H](C)COCC5)=C2
InChIKey
YBXRSCXGRPSTMW-CYBMUJFWSA-N
NCBI gene ID
545
UniProt ID
Q13535
Synonyms
FRP1, SCKL, SCKL1, MEC1
Mode of action
Inhibitor
Affinity biochemical definition
IC50
Affinity biochemical assay type
TR-FRET assay
Affinity Biochemical Source Knowledge
https://pubmed.ncbi.nlm.nih.gov/32502336/
Affinity biochemical relation
=
Affinity on-target cellular definition
IC50
Affinity on-target cellular assay type
ATR cellular mechanistic assay in HT-29 cells
Affinity on-target cellular source knowledge
https://pubmed.ncbi.nlm.nih.gov/32502336/
Affinity on-target cellular relation
=
Selectivity platform
KinomeScan (DiscoverX)
Selectivity platform number of targets
468
Selectivity remarks
Screened at 1 µM, closest targets as % of control: MTOR (2.2%), DYRK1B (11%), VSP34 (17%), full screening data are available as supporting information, https://pubmed.ncbi.nlm.nih.gov/32502336/;
In-vitro potency (Competition binding assay, DiscoverX): Kd(DYRK1B) = 25000 nM, https://pubmed.ncbi.nlm.nih.gov/32502336/;
In-vitro potency (Competition binding assay, DiscoverX): Kd(GAK) = 580 nM, https://pubmed.ncbi.nlm.nih.gov/32502336/;
In-vitro potency (Competition binding assay, DiscoverX): Kd(GSK3B) >30000 nM, https://pubmed.ncbi.nlm.nih.gov/32502336/;
In-vitro potency (Competition binding assay, DiscoverX): Kd(RIOK2) = 660 nM, https://pubmed.ncbi.nlm.nih.gov/32502336/;
In-vitro potency (Competition binding assay, DiscoverX): Kd(VSP34) = 3200 nM, https://pubmed.ncbi.nlm.nih.gov/32502336/;
In-vitro potency (enzymatic assay): IC50(DNAPK) = 332 nM, https://pubmed.ncbi.nlm.nih.gov/32502336/;
In-vitro potency (TR-FRET assay): IC50(ATM) = 1420 nM, https://pubmed.ncbi.nlm.nih.gov/32502336/;
In-vitro potency (enzymatic assay): IC50(PIK3CB) = 3270 nM, https://pubmed.ncbi.nlm.nih.gov/32502336/;
In-vitro potency (Competition binding assay, DiscoverX): Kd(DYRK1B) = 25000 nM, https://pubmed.ncbi.nlm.nih.gov/32502336/;
In-vitro potency (Competition binding assay, DiscoverX): Kd(GAK) = 580 nM, https://pubmed.ncbi.nlm.nih.gov/32502336/;
In-vitro potency (Competition binding assay, DiscoverX): Kd(GSK3B) >30000 nM, https://pubmed.ncbi.nlm.nih.gov/32502336/;
In-vitro potency (Competition binding assay, DiscoverX): Kd(RIOK2) = 660 nM, https://pubmed.ncbi.nlm.nih.gov/32502336/;
In-vitro potency (Competition binding assay, DiscoverX): Kd(VSP34) = 3200 nM, https://pubmed.ncbi.nlm.nih.gov/32502336/;
In-vitro potency (enzymatic assay): IC50(DNAPK) = 332 nM, https://pubmed.ncbi.nlm.nih.gov/32502336/;
In-vitro potency (TR-FRET assay): IC50(ATM) = 1420 nM, https://pubmed.ncbi.nlm.nih.gov/32502336/;
In-vitro potency (enzymatic assay): IC50(PIK3CB) = 3270 nM, https://pubmed.ncbi.nlm.nih.gov/32502336/;
Selectivity Source Knowledge
https://pubmed.ncbi.nlm.nih.gov/32502336/
Selectivity Number of Off-targets
3