EUB0002995a_CDC7

Chemical structure of compound EUB0002995a
Compound name
Simurosertib
Protein family
Protein Kinase
Target name
CDC7
Affinity biochemical (nM)
0.3
CG-Set
Kinase set
Recommended Concentration
100 nM
Compound EUbOPEN ID
EUB0002995a
SMILES
O=C1C2=C(C=C(C3=CNN=C3C)S2)NC([C@H]4N(CC5)CCC5C4)=N1
InChIKey
XGVXKJKTISMIOW-ZDUSSCGKSA-N
NCBI gene ID
8317
UniProt ID
O00311
Synonyms
Hsk1, huCdc7, HsCdc7
Mode of action
Inhibitor
Affinity biochemical definition
IC50
Affinity biochemical assay type
TR-FRET assay (using CDC7/DBF4 protein, using 50 µM ATP)
Affinity Biochemical Source Knowledge
https://pubmed.ncbi.nlm.nih.gov/31131319/
Affinity biochemical relation
<
Selectivity platform
Kinase panel (SelectScreen Kinase Profiling, Invitrogen)
Selectivity platform number of targets
318
Selectivity remarks
Screened at 1 µM, the closest targets as % of inhibition: DAPK3 (98.8%), DAKP1 (96.1%), CDK9/cyclin T1 (94.7%), DMPK (94.1%), CDK8/cyclin C (91.0%), MAPK12 (85.1%), STK17A (84.4%), CLK4 (84.1%), DYRK1A (82.0%), GSK3B (80.5%), other kinases <80%, https://pubmed.ncbi.nlm.nih.gov/31131319/;
In-vitro potency of closest targets:
In-vitro potency (Adapta assay): IC50(DAPK3) = 160 nM, https://pubmed.ncbi.nlm.nih.gov/31131319/;
In-vitro potency (Adapta assay): IC50(DAPK1) = 49.8 nM, https://pubmed.ncbi.nlm.nih.gov/31131319/;
In-vitro potency (LanthaScreen Eu kinase binding assay): IC50(CDK9/cyclin T1) = 36.9 nM, https://pubmed.ncbi.nlm.nih.gov/31131319/;
In-vitro potency (LanthaScreen Eu kinase binding assay): IC50(DMPK) = 44.2 nM, https://pubmed.ncbi.nlm.nih.gov/31131319/;
In-vitro potency (LanthaScreen Eu kinase binding assay): IC50(CDK8/cyclin C) = 101 nM, https://pubmed.ncbi.nlm.nih.gov/31131319/;
In-vitro potency (Z′-LYTE biochemical assay, using 100 µM ATP): IC50(MAPK12) = 155 nM, https://pubmed.ncbi.nlm.nih.gov/31131319/;
In-vitro potency (LanthaScreen Eu kinase binding assay): IC50(STK17A) = 115 nM, https://pubmed.ncbi.nlm.nih.gov/31131319/;
In-vitro potency (LanthaScreen Eu kinase binding assay): IC50(CLK4) = 99 nM, https://pubmed.ncbi.nlm.nih.gov/31131319/;
In-vitro potency (Z′-LYTE biochemical assay, using 100 µM ATP): IC50(DYRK1A) = 148 nM, https://pubmed.ncbi.nlm.nih.gov/31131319/;
In-vitro potency (Z′-LYTE biochemical assay, using 100 µM ATP): IC50(GSK3B) = 338 nM, https://pubmed.ncbi.nlm.nih.gov/31131319/;
In-vitro potency (Z′-LYTE biochemical assay): IC50(CDK2) = 6300 nM, https://pubmed.ncbi.nlm.nih.gov/31131319/;
In-vitro potency (biochemical assay): Kd(CDC7) = 0.424 nM, https://pubmed.ncbi.nlm.nih.gov/31131319/;
Selectivity Number of Off-targets
5