Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Glutathione reductase' and Ligand = 'BDBM50171441'   

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
Glutathione reductase (Saccharomyces cerevisiae)	BDBM50171441 (2-Acetylamino-3-[4-(2-acetylamino-2-carboxy-ethyls...) Show SMILES CC(=O)NC(CSC(=O)NCc1ccc(NC(=O)SCC(NC(C)=O)C(O)=O)cc1)C(O)=O Show InChI InChI=1S/C19H24N4O8S2/c1-10(24)21-14(16(26)27)8-32-18(30)20-7-12-3-5-13(6-4-12)23-19(31)33-9-15(17(28)29)22-11(2)25/h3-6,14-15H,7-9H2,1-2H3,(H,20,30)(H,21,24)(H,22,25)(H,23,31)(H,26,27)(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.17E+5	n/a	n/a	n/a	n/a	7.4	n/a
South Dakota State University Curated by ChEMBL					Assay Description Inhibition of yeast glutathione reductase over 30 minutes pH 7.4 at 25 degree C				J Med Chem 48: 5224-31 (2005) Article DOI: 10.1021/jm050030i BindingDB Entry DOI: 10.7270/Q2SQ8ZW8
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