Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Glycogen synthase kinase-3 beta' and Ligand = 'BDBM11449'   

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 (Rattus norvegicus (rat))	BDBM11449 (4-{[5-(cyclohexylamino)-[1,2,4]triazolo[1,5-a]pyri...) Show SMILES NS(=O)(=O)c1ccc(Nc2cc(NC3CCCCC3)nc3ncnn23)cc1 Show InChI InChI=1S/C17H21N7O2S/c18-27(25,26)14-8-6-13(7-9-14)22-16-10-15(21-12-4-2-1-3-5-12)23-17-19-11-20-24(16)17/h6-12,22H,1-5H2,(H2,18,25,26)(H,19,20,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	DrugBank PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	970	n/a	n/a	n/a	n/a	7.5	22
Vernalis (R&D) Ltd					Assay Description In vitro kinase assay using purified GSK-3 beta was incubated at room temperature with substrate, and test compounds in the presence of 10 uM ATP/ [g...				Bioorg Med Chem Lett 16: 1353-7 (2006) Article DOI: 10.1016/j.bmcl.2005.11.048 BindingDB Entry DOI: 10.7270/Q2TT4P5C
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