Compile Data Set for Download or QSAR

Found 1 hit of ki for UniProtKB: P41921   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Glutathione reductase (Saccharomyces cerevisiae)	BDBM50171438 (2-Acetylamino-3-[4-(2-acetylamino-2-carboxy-ethyls...) Show SMILES CC(=O)NC(CSC(=O)Nc1ccc(NC(=O)SCC(NC(C)=O)C(O)=O)cc1)C(O)=O Show InChI InChI=1S/C18H22N4O8S2/c1-9(23)19-13(15(25)26)7-31-17(29)21-11-3-5-12(6-4-11)22-18(30)32-8-14(16(27)28)20-10(2)24/h3-6,13-14H,7-8H2,1-2H3,(H,19,23)(H,20,24)(H,21,29)(H,22,30)(H,25,26)(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	8.80E+4	n/a	n/a	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 for 30 minutes pH 7.4 at 25 degree C at 0.2 mM				J Med Chem 48: 5224-31 (2005) Article DOI: 10.1021/jm050030i BindingDB Entry DOI: 10.7270/Q2SQ8ZW8
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