Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Glycogen synthase kinase-3 beta' and Ligand = 'BDBM50332534'   

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))	BDBM50332534 (2-(4-amino-5-(4-hydroxy-3-methoxyphenyl)pyrido[2,3...) Show SMILES COc1cc(ccc1O)-c1cc(nc2ncnc(N)c12)-c1cc(C)cc(Cl)c1O Show InChI InChI=1S/C21H17ClN4O3/c1-10-5-13(19(28)14(22)6-10)15-8-12(11-3-4-16(27)17(7-11)29-2)18-20(23)24-9-25-21(18)26-15/h3-9,27-28H,1-2H3,(H2,23,24,25,26)	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	113	n/a	n/a	n/a	n/a	n/a	n/a
University of Louisiana at Monroe Curated by ChEMBL					Assay Description Inhibition of recombinant GSK3beta Z'-LYTE kinase assay kit method				J Med Chem 53: 8534-45 (2010) Article DOI: 10.1021/jm100941j BindingDB Entry DOI: 10.7270/Q2DB8230
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