BDBM50034677 CHEMBL288810::Phosphoric acid diethyl ester 4-isopropyl-1,1,3-trioxo-1,3-dihydro-1lambda*6*-benzo[d]isothiazol-2-ylmethyl ester

SMILES: CCOP(=O)(OCC)OCN1C(=O)c2c(cccc2C(C)C)S1(=O)=O

InChI Key: InChIKey=ZTBNRXOFFFAGPB-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 = 50034677   

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
Neutrophil elastase (Homo sapiens (Human))	BDBM50034677 (CHEMBL288810 | Phosphoric acid diethyl ester 4-iso...) Show SMILES CCOP(=O)(OCC)OCN1C(=O)c2c(cccc2C(C)C)S1(=O)=O Show InChI InChI=1S/C15H22NO7PS/c1-5-21-24(18,22-6-2)23-10-16-15(17)14-12(11(3)4)8-7-9-13(14)25(16,19)20/h7-9,11H,5-6,10H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.100	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 In vitro inhibitory activity against Human leukocyte elastase				J Med Chem 38: 1571-4 (1995) BindingDB Entry DOI: 10.7270/Q2M32TS7
					More data for this Ligand-Target Pair