Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Glycogen synthase kinase-3 beta' and Ligand = 'BDBM50310472'   

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))	BDBM50310472 (CHEMBL1080073 | methyl 2-(4-amino-1,2,5-oxadiazol-...) Show SMILES COC(=O)c1ccc2n(C3CCC3)c(nc2c1)-c1nonc1N Show InChI InChI=1S/C15H15N5O3/c1-22-15(21)8-5-6-11-10(7-8)17-14(12-13(16)19-23-18-12)20(11)9-3-2-4-9/h5-7,9H,2-4H2,1H3,(H2,16,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>3.30E+3	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 GSK3beta assessed as decrease in NADH absorbance at 340 nm in the presence of				Bioorg Med Chem Lett 19: 5191-4 (2009) Article DOI: 10.1016/j.bmcl.2009.07.022 BindingDB Entry DOI: 10.7270/Q2KP8287
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