Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Glycogen synthase kinase-3 beta' and Ligand = 'BDBM50313047'   

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))	BDBM50313047 ((Z)-3-(3-methoxyphenyl)-4-(2-(4-morpholinophenyl)h...) Show SMILES COc1cccc(c1)-c1[nH][nH]c(=O)c1N=Nc1ccc(cc1)N1CCOCC1 |w:14.15| Show InChI InChI=1S/C20H21N5O3/c1-27-17-4-2-3-14(13-17)18-19(20(26)24-22-18)23-21-15-5-7-16(8-6-15)25-9-11-28-12-10-25/h2-8,13H,9-12H2,1H3,(H2,22,24,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	59	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc Curated by ChEMBL					Assay Description Inhibition of GSK3-beta assessed as NADH level after 10 mins by pyruvate kinase/lactate dehydrogenase coupled spectrophotometric assay				Bioorg Med Chem Lett 20: 1661-4 (2010) Article DOI: 10.1016/j.bmcl.2010.01.072 BindingDB Entry DOI: 10.7270/Q2TX3G9B
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