Compile Data Set for Download or QSAR
Found 2 Enz. Inhib. hit(s) for PDB: 3OT8
TargetSerine/threonine-protein kinase Chk1(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50334852(3-methyl-N-(3-(1-methyl-1H-pyrazol-4-yl)-5-(piperi...)
Show SMILES Cc1cc(Nc2cc(nc3c(cnn23)-c2cnn(C)c2)C2CCCNC2)sn1
Show InChI InChI=1S/C19H22N8S/c1-12-6-18(28-25-12)24-17-7-16(13-4-3-5-20-8-13)23-19-15(10-22-27(17)19)14-9-21-26(2)11-14/h6-7,9-11,13,20,24H,3-5,8H2,1-2H3
Affinity DataIC50: 9nMAssay Description:Inhibition of recombinant His-CHK1 expressed in baculovirus after 2 hrs by scintillation proximity assayMore data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase Chk1(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50334852(3-methyl-N-(3-(1-methyl-1H-pyrazol-4-yl)-5-(piperi...)
Show SMILES Cc1cc(Nc2cc(nc3c(cnn23)-c2cnn(C)c2)C2CCCNC2)sn1
Show InChI InChI=1S/C19H22N8S/c1-12-6-18(28-25-12)24-17-7-16(13-4-3-5-20-8-13)23-19-15(10-22-27(17)19)14-9-21-26(2)11-14/h6-7,9-11,13,20,24H,3-5,8H2,1-2H3
Affinity DataIC50: 9nMAssay Description:Inhibition of histidine-tagged recombinant CHK1 expressed in baculovirus expression system after 2 hrs by scintillation proximity assayMore data for this Ligand-Target Pair