Compile Data Set for Download or QSAR
Found 2 Enz. Inhib. hit(s) for PDB: 1OI9
TargetCyclin-A2 [171-432]/Cyclin-dependent kinase 2(Homo sapiens (Human))
University of Newcastle

LigandPNGBDBM5541(4-{[6-(cyclohexylmethoxy)-9H-purin-2-yl]amino}phen...)
Show SMILES Oc1ccc(Nc2nc(OCC3CCCCC3)c3[nH]cnc3n2)cc1
Show InChI InChI=1S/C18H21N5O2/c24-14-8-6-13(7-9-14)21-18-22-16-15(19-11-20-16)17(23-18)25-10-12-4-2-1-3-5-12/h6-9,11-12,24H,1-5,10H2,(H2,19,20,21,22,23)
Affinity DataIC50: 69nMAssay Description:The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...More data for this Ligand-Target Pair
TargetCyclin-dependent kinase 2(Homo sapiens (Human))
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM5541(4-{[6-(cyclohexylmethoxy)-9H-purin-2-yl]amino}phen...)
Show SMILES Oc1ccc(Nc2nc(OCC3CCCCC3)c3[nH]cnc3n2)cc1
Show InChI InChI=1S/C18H21N5O2/c24-14-8-6-13(7-9-14)21-18-22-16-15(19-11-20-16)17(23-18)25-10-12-4-2-1-3-5-12/h6-9,11-12,24H,1-5,10H2,(H2,19,20,21,22,23)
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of human Thr160-phospho CDK2/CyclinAMore data for this Ligand-Target Pair