Compile Data Set for Download or QSAR
Found 2 Enz. Inhib. hit(s) for PDB: 2C3L
TargetSerine/threonine-protein kinase Chk1(Homo sapiens (Human))
Vernalis (R&D) Ltd

LigandPNGBDBM16590(2-(1H-indazol-3-yl)-1H-1,3-benzodiazole | 3-(1H-be...)
Show SMILES c1ccc2[nH]c(nc2c1)-c1n[nH]c2ccccc12
Show InChI InChI=1S/C14H10N4/c1-2-6-10-9(5-1)13(18-17-10)14-15-11-7-3-4-8-12(11)16-14/h1-8H,(H,15,16)(H,17,18)
Affinity DataKi:  8.58E+3nM ΔG°:  -29.4kJ/molepH: 7.5 T: 2°CAssay Description:For Ki determinations a matrix of inhibitor and substrate concentrations were tested. Inhibitor concentrations were tested from four times IC50 with ...More data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase Chk1(Homo sapiens (Human))
Vernalis (R&D) Ltd

LigandPNGBDBM16590(2-(1H-indazol-3-yl)-1H-1,3-benzodiazole | 3-(1H-be...)
Show SMILES c1ccc2[nH]c(nc2c1)-c1n[nH]c2ccccc12
Show InChI InChI=1S/C14H10N4/c1-2-6-10-9(5-1)13(18-17-10)14-15-11-7-3-4-8-12(11)16-14/h1-8H,(H,15,16)(H,17,18)
Affinity DataIC50: 6.30E+3nMpH: 7.5 T: 2°CAssay Description:Kinase activity was assayed in reaction buffer containing substrate peptide, enzyme, and inhibitor compound in the presence ATP/[gamma-33P] ATP. 33P ...More data for this Ligand-Target Pair