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 = 'BDBM50427635'   

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))	BDBM50427635 (CHEMBL2323504) Show SMILES COc1ccc2n(cc(CC(=O)NS(=O)(=O)c3cc(ccc3C(F)(F)F)C(F)(F)F)c2c1)C(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C26H17ClF6N2O5S/c1-40-18-7-9-21-19(12-18)15(13-35(21)24(37)14-2-5-17(27)6-3-14)10-23(36)34-41(38,39)22-11-16(25(28,29)30)4-8-20(22)26(31,32)33/h2-9,11-13H,10H2,1H3,(H,34,36)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.94E+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
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