Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Glycogen synthase kinase-3' and Ligand = 'BDBM50025658'   

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 (Homo sapiens (Human))	BDBM50025658 (CHEMBL3335160) Show SMILES COc1cccc(OC)c1C(=O)Nc1c[nH]nc1C(=O)NN1CCOCC1 Show InChI InChI=1S/C17H21N5O5/c1-25-12-4-3-5-13(26-2)14(12)16(23)19-11-10-18-20-15(11)17(24)21-22-6-8-27-9-7-22/h3-5,10H,6-9H2,1-2H3,(H,18,20)(H,19,23)(H,21,24)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Inhibition of human GSK3 using biotinylated GSP2 substrate by flashplate assay				J Med Chem 57: 7536-49 (2014) Article DOI: 10.1021/jm500239b BindingDB Entry DOI: 10.7270/Q2M04712
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