Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Glycogen synthase kinase-3 beta' and Ligand = 'BDBM193707'   

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))	BDBM193707 (Pyrimidin-4-one-1,2,3-triazole conjugate, 3h) Show SMILES CCOc1ccc(cc1)-n1cc(CSc2nc(cc(=O)n2C)-c2ccccc2)nn1 Show InChI InChI=1S/C22H21N5O2S/c1-3-29-19-11-9-18(10-12-19)27-14-17(24-25-27)15-30-22-23-20(13-21(28)26(22)2)16-7-5-4-6-8-16/h4-14H,3,15H2,1-2H3	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	1.44E+3	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Hamdard (Hamdard University)					Assay Description In a typical assay, 10 µL of test compound of different concentrations (dissolved in dimethyl sulfoxide [DMSO] and diluted with assay buffer) and 10 ...				Bioorg Chem 68: 41-55 (2016) Article DOI: 10.1016/j.bioorg.2016.07.007 BindingDB Entry DOI: 10.7270/Q2WM1C6H
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