Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Glycogen synthase kinase-3 beta' and Ligand = 'BDBM152553'   

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))	BDBM152553 (7,8-dimethoxy-5-((1-(4-methoxyphenylsulfonyl)piper...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCC(CC1)NCc1cc2C(=O)NC(=O)c2c2cc(OC)c(OC)cc12 Show InChI InChI=1S/C27H29N3O7S/c1-35-18-4-6-19(7-5-18)38(33,34)30-10-8-17(9-11-30)28-15-16-12-22-25(27(32)29-26(22)31)21-14-24(37-3)23(36-2)13-20(16)21/h4-7,12-14,17,28H,8-11,15H2,1-3H3,(H,29,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.61E+3	n/a	n/a	n/a	n/a	7.4	n/a
Peking University					Assay Description Briefly, recombinant human GSK3β (1 µM, 10 µL) was mixed with 10 µL of GSK3β substrate (YRRAAVPPSPSLSRHSSPHQpSEDEEE, 100 µM), 19 µL of 2.5 ...				Bioorg Chem 61: 21-7 (2015) Article DOI: 10.1016/j.bioorg.2015.05.009 BindingDB Entry DOI: 10.7270/Q2N878HZ
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