Compile Data Set for Download or QSAR
Found 2 Enz. Inhib. hit(s) with Target = 'Glycogen synthase kinase-3 beta' and Ligand = 'BDBM50115209'
TargetGlycogen synthase kinase-3 beta(Homo sapiens (Human))
University of Central Lancashire

Curated by ChEMBL
LigandPNGBDBM50115209(1-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)-3-(4-(2...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)cc1)C(C)(C)C
Show InChI InChI=1S/C27H35N5O3/c1-20-5-9-22(10-6-20)32-25(19-24(30-32)27(2,3)4)29-26(33)28-21-7-11-23(12-8-21)35-18-15-31-13-16-34-17-14-31/h5-12,19H,13-18H2,1-4H3,(H2,28,29,33)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of human GSK-3beta using Ser/Thr 6 peptide as substrate preincubated for 60 mins followed by ATP and substrate addition and measured after...More data for this Ligand-Target Pair
TargetGlycogen synthase kinase-3 beta(Homo sapiens (Human))
University of Central Lancashire

Curated by ChEMBL
LigandPNGBDBM50115209(1-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)-3-(4-(2...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)cc1)C(C)(C)C
Show InChI InChI=1S/C27H35N5O3/c1-20-5-9-22(10-6-20)32-25(19-24(30-32)27(2,3)4)29-26(33)28-21-7-11-23(12-8-21)35-18-15-31-13-16-34-17-14-31/h5-12,19H,13-18H2,1-4H3,(H2,28,29,33)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of UmGSK3 by kinase inhibitors.More data for this Ligand-Target Pair