BDBM50034675 CHEMBL41874::Dibutyl-phosphinic acid 1,1,3-trioxo-1,3-dihydro-1lambda*6*-benzo[d]isothiazol-2-ylmethyl ester

SMILES: CCCCP(=O)(CCCC)OCN1C(=O)c2ccccc2S1(=O)=O

InChI Key: InChIKey=FFIMSWCZXOYUDS-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 = 50034675   

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))	BDBM50034675 (CHEMBL41874 | Dibutyl-phosphinic acid 1,1,3-trioxo...) Show SMILES CCCCP(=O)(CCCC)OCN1C(=O)c2ccccc2S1(=O)=O Show InChI InChI=1S/C16H24NO5PS/c1-3-5-11-23(19,12-6-4-2)22-13-17-16(18)14-9-7-8-10-15(14)24(17,20)21/h7-10H,3-6,11-13H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sterling Winthrop Pharmaceuticals Research Division Curated by ChEMBL					Assay Description Inhibitory activity against Human leukocyte elastase was determined				J Med Chem 38: 1571-4 (1995) BindingDB Entry DOI: 10.7270/Q2M32TS7
					More data for this Ligand-Target Pair