Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Glycogen synthase kinase-3 beta' and Ligand = 'BDBM8547'   

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))	BDBM8547 (4-({[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfany...) Show SMILES OC(=O)c1ccc(CSc2nnc(o2)-c2ccncc2)cc1 Show InChI InChI=1S/C15H11N3O3S/c19-14(20)12-3-1-10(2-4-12)9-22-15-18-17-13(21-15)11-5-7-16-8-6-11/h1-8H,9H2,(H,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90E+4	n/a	n/a	n/a	n/a	7.0	22
Novo Nordisk A/S					Assay Description In vitro kinase assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of 100 uM ATP/ [gam...				Bioorg Med Chem Lett 12: 1525-8 (2002) Article DOI: 10.1016/s0960-894x(02)00169-5 BindingDB Entry DOI: 10.7270/Q2251GDH
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