BDBM50039645 2,6-Bis-trifluoromethyl-benzoic acid 1,1,3-trioxo-1,3-dihydro-1lambda*6*-benzo[d]isothiazol-2-ylmethyl ester::CHEMBL85128

SMILES: FC(F)(F)c1cccc(c1C(=O)OCN1C(=O)c2ccccc2S1(=O)=O)C(F)(F)F

InChI Key: InChIKey=XJUPUEHYSYCBKP-UHFFFAOYSA-N

Data: 1 KI

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 = 50039645   

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
Leukocyte elastase (Homo sapiens (Human))	BDBM50039645 (2,6-Bis-trifluoromethyl-benzoic acid 1,1,3-trioxo-...) Show SMILES FC(F)(F)c1cccc(c1C(=O)OCN1C(=O)c2ccccc2S1(=O)=O)C(F)(F)F Show InChI InChI=1S/C17H9F6NO5S/c18-16(19,20)10-5-3-6-11(17(21,22)23)13(10)15(26)29-8-24-14(25)9-4-1-2-7-12(9)30(24,27)28/h1-7H,8H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sterling Winthrop Pharmaceutical Research Division Curated by ChEMBL					Assay Description In vitro inhibition constant of human leukocyte elastase.				J Med Chem 37: 2623-6 (1994) BindingDB Entry DOI: 10.7270/Q2ST7QGN
					More data for this Ligand-Target Pair