Compile Data Set for Download or QSAR
Found 1 Enz. Inhib. hit(s) for PDB: 1Y91
TargetCyclin-A2/Cyclin-dependent kinase 2(Homo sapiens (Human))
Vernalis (R&D) Ltd

LigandPNGBDBM11428(4-({5-[(4-aminocyclohexyl)amino]-3-(propan-2-yl)py...)
Show SMILES CC(C)c1cnn2c(Nc3ccc(cc3)S(=O)(=O)N(C)C)cc(N[C@H]3CC[C@H](N)CC3)nc12
Show InChI InChI=1S/C23H33N7O2S/c1-15(2)20-14-25-30-22(27-18-9-11-19(12-10-18)33(31,32)29(3)4)13-21(28-23(20)30)26-17-7-5-16(24)6-8-17/h9-17,27H,5-8,24H2,1-4H3,(H,26,28)/t16-,17-
Affinity DataIC50: 59nMpH: 7.5 T: 2°CAssay Description:In vitro kinase assay using purified CDK2/Cyclin A was incubated at room temperature with substrate, and test compounds in the presence of 100 uM ATP...More data for this Ligand-Target Pair