Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Glycogen synthase kinase-3 beta' and Ligand = 'BDBM50313054'   

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))	BDBM50313054 ((Z)-4-(2-(4-(diethylamino)phenyl)hydrazono)-3-(4-m...) Show SMILES CCN(CC)c1ccc(cc1)N=Nc1c([nH][nH]c1=O)-c1ccc(OC)cc1 |w:12.13| Show InChI InChI=1S/C20H23N5O2/c1-4-25(5-2)16-10-8-15(9-11-16)21-23-19-18(22-24-20(19)26)14-6-12-17(27-3)13-7-14/h6-13H,4-5H2,1-3H3,(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	16	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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