BDBM50427643 CHEMBL2323495

SMILES: COc1ccc2n(cc(CC(=O)NS(=O)(=O)c3ccc(OC(F)(F)F)cc3)c2c1)C(=O)c1ccc(Cl)cc1

InChI Key: InChIKey=CAKRGCZZNJTSST-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50427643   

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
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3) (Homo sapiens (Human))	BDBM50427643 (CHEMBL2323495) Show SMILES COc1ccc2n(cc(CC(=O)NS(=O)(=O)c3ccc(OC(F)(F)F)cc3)c2c1)C(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C25H18ClF3N2O6S/c1-36-19-8-11-22-21(13-19)16(14-31(22)24(33)15-2-4-17(26)5-3-15)12-23(32)30-38(34,35)20-9-6-18(7-10-20)37-25(27,28)29/h2-11,13-14H,12H2,1H3,(H,30,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.65E+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
Aldo-keto reductase family 1 member C2 (Homo sapiens (Human))	BDBM50427643 (CHEMBL2323495) Show SMILES COc1ccc2n(cc(CC(=O)NS(=O)(=O)c3ccc(OC(F)(F)F)cc3)c2c1)C(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C25H18ClF3N2O6S/c1-36-19-8-11-22-21(13-19)16(14-31(22)24(33)15-2-4-17(26)5-3-15)12-23(32)30-38(34,35)20-9-6-18(7-10-20)37-25(27,28)29/h2-11,13-14H,12H2,1H3,(H,30,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.94E+4	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 AKR1C2-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