Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Glycogen synthase kinase-3 beta' and Ligand = 'BDBM50299078'   

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))	BDBM50299078 (5-{3-[4-(Methylsulfinyl)phenyl]-1-benzofuran-5-yl}...) Show SMILES CS(=O)c1ccc(cc1)-c1coc2ccc(cc12)-c1n[nH]c(=O)o1 Show InChI InChI=1S/C17H12N2O4S/c1-24(21)12-5-2-10(3-6-12)14-9-22-15-7-4-11(8-13(14)15)16-18-19-17(20)23-16/h2-9H,1H3,(H,19,20)	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	130	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant GSK3-beta				J Med Chem 52: 6270-86 (2009) Article DOI: 10.1021/jm900647e BindingDB Entry DOI: 10.7270/Q2CZ377V
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