Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Glycogen synthase kinase-3 beta' and Ligand = 'BDBM50220369'   

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))	BDBM50220369 (CHEMBL399140 | N-(4-(methylsulfonamido)phenethyl)-...) Show SMILES CS(=O)(=O)Nc1ccc(CCNC(=O)c2ccc(O)c3nc([nH]c23)-c2ccccc2)cc1 Show InChI InChI=1S/C23H22N4O4S/c1-32(30,31)27-17-9-7-15(8-10-17)13-14-24-23(29)18-11-12-19(28)21-20(18)25-22(26-21)16-5-3-2-4-6-16/h2-12,27-28H,13-14H2,1H3,(H,24,29)(H,25,26)	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	25	n/a	n/a	n/a	n/a	n/a	n/a
CrystalGenomics, Inc. Curated by ChEMBL					Assay Description Inhibition of GSK3beta at 5 uM				Bioorg Med Chem Lett 17: 5686-9 (2007) Article DOI: 10.1016/j.bmcl.2007.07.056 BindingDB Entry DOI: 10.7270/Q2HH6JT3
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