BDBM50039641 2,6-Dichloro-benzoic acid 4-sec-butyl-1,1,3-trioxo-1,3-dihydro-1lambda*6*-benzo[d]isothiazol-2-ylmethyl ester::CHEMBL91944

SMILES: CCC(C)c1cccc2c1C(=O)N(COC(=O)c1c(Cl)cccc1Cl)S2(=O)=O

InChI Key: InChIKey=BPLRTQBUAKRGNY-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 = 50039641   

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))	BDBM50039641 (2,6-Dichloro-benzoic acid 4-sec-butyl-1,1,3-trioxo...) Show SMILES CCC(C)c1cccc2c1C(=O)N(COC(=O)c1c(Cl)cccc1Cl)S2(=O)=O Show InChI InChI=1S/C19H17Cl2NO5S/c1-3-11(2)12-6-4-9-15-16(12)18(23)22(28(15,25)26)10-27-19(24)17-13(20)7-5-8-14(17)21/h4-9,11H,3,10H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0600	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