Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aldo-keto reductase family 1 member C3' and Ligand = 'BDBM50427676'   

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
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50427676 (CHEMBL2323501) Show SMILES COc1ccc2n(cc(CC(=O)NS(=O)(=O)c3ccc(Oc4ccccc4)cc3)c2c1)C(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C30H23ClN2O6S/c1-38-25-13-16-28-27(18-25)21(19-33(28)30(35)20-7-9-22(31)10-8-20)17-29(34)32-40(36,37)26-14-11-24(12-15-26)39-23-5-3-2-4-6-23/h2-16,18-19H,17H2,1H3,(H,32,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.52E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Inhibition of human recombinant AKR1C3-mediated NADP+-dependent oxidation of S-(+)-1,2,3,4-tetrahydro-1-naphthol				J Med Chem 56: 2429-46 (2013) Article DOI: 10.1021/jm3017656 BindingDB Entry DOI: 10.7270/Q2X92CMG
					More data for this Ligand-Target Pair