Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Glycogen synthase kinase-3 beta' and Ligand = 'BDBM50026845'   

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))	BDBM50026845 (CHEMBL1957079) Show SMILES COc1ccc(cc1)-c1ocnc1C(=O)NCC1CCC(CC1)C(=O)N(C)C |(25.74,-6.11,;27.07,-5.34,;27.07,-3.8,;25.74,-3.03,;25.74,-1.49,;27.07,-.71,;28.41,-1.48,;28.41,-3.03,;27.07,.82,;28.31,1.73,;27.83,3.2,;26.29,3.19,;25.82,1.73,;24.48,.97,;24.46,-.57,;23.15,1.76,;21.81,1,;20.48,1.79,;20.5,3.34,;19.19,4.12,;17.84,3.38,;17.82,1.83,;19.14,1.04,;16.52,4.17,;16.54,5.71,;15.17,3.42,;13.85,4.21,;15.15,1.88,)| Show InChI InChI=1S/C21H27N3O4/c1-24(2)21(26)16-6-4-14(5-7-16)12-22-20(25)18-19(28-13-23-18)15-8-10-17(27-3)11-9-15/h8-11,13-14,16H,4-7,12H2,1-3H3,(H,22,25)	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	316	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of GSK3-beta by fluorescence polarization assay				Bioorg Med Chem Lett 22: 1989-94 (2012) Article DOI: 10.1016/j.bmcl.2012.01.034 BindingDB Entry DOI: 10.7270/Q2ZP46KT
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