Compile Data Set for Download or QSAR
Found 3 Enz. Inhib. hit(s) for PDB: 2C3J
TargetSerine/threonine-protein kinase Chk1(Homo sapiens (Human))
Michigan State University

Curated by ChEMBL
LigandPNGBDBM50363645(DEBROMOHYMENIALDISINE)
Show SMILES NC1=NC(C(=O)N1)=C1CCNC(=O)c2[nH]ccc12
Show InChI InChI=1S/C11H11N5O2/c12-11-15-8(10(18)16-11)6-2-4-14-9(17)7-5(6)1-3-13-7/h1,3,13H,2,4H2,(H,14,17)(H3,12,15,16,18)
Affinity DataIC50: 725nMAssay Description:Inhibition of human CHK1 using STK1 as substrate after 10 mins by HTRF assayMore data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase Chk1(Homo sapiens (Human))
Michigan State University

Curated by ChEMBL
LigandPNGBDBM50363645(DEBROMOHYMENIALDISINE)
Show SMILES NC1=NC(C(=O)N1)=C1CCNC(=O)c2[nH]ccc12
Show InChI InChI=1S/C11H11N5O2/c12-11-15-8(10(18)16-11)6-2-4-14-9(17)7-5(6)1-3-13-7/h1,3,13H,2,4H2,(H,14,17)(H3,12,15,16,18)
Affinity DataIC50: 725nMAssay Description:Inhibition of CHK1 (unknown origin) using polypeptide substrate after 40 mins in presence of [gamma-33P]ATP by scintillation counting methodMore data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase Chk1(Homo sapiens (Human))
Michigan State University

Curated by ChEMBL
LigandPNGBDBM50363645(DEBROMOHYMENIALDISINE)
Show SMILES NC1=NC(C(=O)N1)=C1CCNC(=O)c2[nH]ccc12
Show InChI InChI=1S/C11H11N5O2/c12-11-15-8(10(18)16-11)6-2-4-14-9(17)7-5(6)1-3-13-7/h1,3,13H,2,4H2,(H,14,17)(H3,12,15,16,18)
Affinity DataIC50: 3.00E+3nMAssay Description:Inhibition of Chk1Checked by AuthorMore data for this Ligand-Target Pair