BDBM50429339 CHEMBL2334914

SMILES: CSc1ccc(\C=C(\C(O)=O)c2ccc(cc2)S(C)(=O)=O)cc1

InChI Key: InChIKey=UGLLVIPJQKMXLI-LFIBNONCSA-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 = 50429339   

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))	BDBM50429339 (CHEMBL2334914) Show SMILES CSc1ccc(\C=C(\C(O)=O)c2ccc(cc2)S(C)(=O)=O)cc1 Show InChI InChI=1S/C17H16O4S2/c1-22-14-7-3-12(4-8-14)11-16(17(18)19)13-5-9-15(10-6-13)23(2,20)21/h3-11H,1-2H3,(H,18,19)/b16-11+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of recombinant AKR1C3 (unknown origin) assessed as decrease in oxidation of 1-acenaphthenol substrate by spectrophotometric analysis				Eur J Med Chem 62: 89-97 (2013) Article DOI: 10.1016/j.ejmech.2012.12.045 BindingDB Entry DOI: 10.7270/Q2BR8TH0
					More data for this Ligand-Target Pair