BDBM50039648 Acetic acid 1,1,3-trioxo-1,3-dihydro-1lambda*6*-benzo[d]isothiazol-2-ylmethyl ester::CHEMBL51377

SMILES: CC(=O)OCN1C(=O)c2ccccc2S1(=O)=O

InChI Key: InChIKey=ULEMAXQVUZNDFP-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50039648   

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))	BDBM50039648 (Acetic acid 1,1,3-trioxo-1,3-dihydro-1lambda*6*-be...) Show SMILES CC(=O)OCN1C(=O)c2ccccc2S1(=O)=O Show InChI InChI=1S/C10H9NO5S/c1-7(12)16-6-11-10(13)8-4-2-3-5-9(8)17(11,14)15/h2-5H,6H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	102	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
Leukocyte elastase (Homo sapiens (Human))	BDBM50039648 (Acetic acid 1,1,3-trioxo-1,3-dihydro-1lambda*6*-be...) Show SMILES CC(=O)OCN1C(=O)c2ccccc2S1(=O)=O Show InChI InChI=1S/C10H9NO5S/c1-7(12)16-6-11-10(13)8-4-2-3-5-9(8)17(11,14)15/h2-5H,6H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	102	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Potency of Inhibition of human leukocyte elastase (HLE) expressed as apparent binding constant				Bioorg Med Chem Lett 4: 1801-1806 (1994) Article DOI: 10.1016/S0960-894X(01)80374-7 BindingDB Entry DOI: 10.7270/Q25M65PP
					More data for this Ligand-Target Pair