Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Glycogen synthase kinase-3 beta' and Ligand = 'BDBM50322827'   

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))	BDBM50322827 (CHEMBL1210405 | N-(8-(3-cyanophenyl)-9H-purin-6-yl...) Show SMILES O=C(Nc1ncnc2nc([nH]c12)-c1cccc(c1)C#N)C1CC1 Show InChI InChI=1S/C16H12N6O/c17-7-9-2-1-3-11(6-9)13-20-12-14(21-13)18-8-19-15(12)22-16(23)10-4-5-10/h1-3,6,8,10H,4-5H2,(H2,18,19,20,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	781	n/a	n/a	n/a	n/a	n/a	n/a
Centre Universitaire Curated by ChEMBL					Assay Description Inhibition of human GSK3beta				Eur J Med Chem 45: 3389-93 (2010) Article DOI: 10.1016/j.ejmech.2010.04.026 BindingDB Entry DOI: 10.7270/Q2TH8MWC
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