Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Glycogen synthase kinase-3' and Ligand = 'BDBM50025673'   

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))	BDBM50025673 (CHEMBL3335176) Show SMILES COc1cccc(OC)c1C(=O)Nc1c[nH]nc1C(=O)NCCN1CCOCC1 Show InChI InChI=1S/C19H25N5O5/c1-27-14-4-3-5-15(28-2)16(14)18(25)22-13-12-21-23-17(13)19(26)20-6-7-24-8-10-29-11-9-24/h3-5,12H,6-11H2,1-2H3,(H,20,26)(H,21,23)(H,22,25)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	630	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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