Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Glycogen synthase kinase-3 beta' and Ligand = 'BDBM50377246'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50377246 (CHEMBL257370) Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ncc(Cl)c(NC23CC4CC(CC(O)(C4)C2)C3)n1 |w:17.24,19.20,wU:4.7,wD:1.0,TLB:14:15:18:23.20.21,22:21:18.19.25:16,THB:20:21:18.19.25:16,22:21:18:25.15.16,24:21:18:25.15.16,24:15:18:23.20.21,TEB:20:19:16:23.21.24,(19.93,-27.3,;19.92,-25.76,;21.26,-24.98,;21.25,-23.45,;19.92,-22.69,;18.59,-23.46,;18.59,-24.99,;19.92,-21.15,;18.59,-20.38,;18.58,-18.83,;17.24,-18.06,;15.91,-18.84,;14.58,-18.07,;15.91,-20.38,;14.58,-21.15,;14.57,-22.69,;13.22,-23.17,;13.23,-24.65,;12.03,-25.93,;13.53,-25.51,;14.94,-26.07,;15.95,-24.79,;17.49,-24.73,;14.56,-25.14,;15.97,-23.27,;13.53,-23.92,;17.24,-21.15,)| Show InChI InChI=1S/C20H29ClN4O2/c21-16-10-22-18(23-14-1-3-15(26)4-2-14)24-17(16)25-19-6-12-5-13(7-19)9-20(27,8-12)11-19/h10,12-15,26-27H,1-9,11H2,(H2,22,23,24,25)/t12?,13?,14-,15-,19?,20?	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Kemia, Inc. Curated by ChEMBL					Assay Description Inhibition of GSK3-beta				Bioorg Med Chem Lett 18: 3578-81 (2008) Article DOI: 10.1016/j.bmcl.2008.05.001 BindingDB Entry DOI: 10.7270/Q2571CXM
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