BDBM50015909 3-Acetoxymethyl-7-methoxy-5,5,8-trioxo-5lambda*6*-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid ethyl ester::CHEMBL86173

SMILES: CCOC(=O)C1=C(COC(C)=O)CS(=O)(=O)[C@@H]2[C@@H](OC)C(=O)N12

InChI Key: InChIKey=HNXMWPLUNLWEAN-CMPLNLGQSA-N

Data: 1 IC50

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 = 50015909   

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))	BDBM50015909 (3-Acetoxymethyl-7-methoxy-5,5,8-trioxo-5lambda*6*-...) Show SMILES CCOC(=O)C1=C(COC(C)=O)CS(=O)(=O)[C@@H]2[C@@H](OC)C(=O)N12 |c:5| Show InChI InChI=1S/C13H17NO8S/c1-4-21-13(17)9-8(5-22-7(2)15)6-23(18,19)12-10(20-3)11(16)14(9)12/h10,12H,4-6H2,1-3H3/t10-,12+/m0/s1	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of Human Leukocyte Elastase (HLE)				J Med Chem 33: 2522-8 (1990) BindingDB Entry DOI: 10.7270/Q2KH0M9J
					More data for this Ligand-Target Pair