BDBM50427675 CHEMBL2323513

SMILES: COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(CCC(=O)NS(=O)(=O)C(F)(F)F)c(C)c2c1

InChI Key: InChIKey=BOWCSHWJPAAYPZ-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50427675   

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
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50427675 (CHEMBL2323513) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(CCC(=O)NS(=O)(=O)C(F)(F)F)c(C)c2c1 Show InChI InChI=1S/C21H18ClF3N2O5S/c1-12-16-11-15(32-2)7-8-18(16)27(20(29)13-3-5-14(22)6-4-13)17(12)9-10-19(28)26-33(30,31)21(23,24)25/h3-8,11H,9-10H2,1-2H3,(H,26,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.44E+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