BDBM50015899 3-Acetoxymethyl-7-methoxy-5,5,8-trioxo-5lambda*6*-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid::CHEMBL314721

SMILES: CO[C@@H]1[C@@H]2N(C1=O)C(C(O)=O)=C(COC(C)=O)CS2(=O)=O

InChI Key: InChIKey=DEVPUMFMPVTDPD-WCBMZHEXSA-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 = 50015899   

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))	BDBM50015899 (3-Acetoxymethyl-7-methoxy-5,5,8-trioxo-5lambda*6*-...) Show SMILES CO[C@@H]1[C@@H]2N(C1=O)C(C(O)=O)=C(COC(C)=O)CS2(=O)=O |t:11| Show InChI InChI=1S/C11H13NO8S/c1-5(13)20-3-6-4-21(17,18)10-8(19-2)9(14)12(10)7(6)11(15)16/h8,10H,3-4H2,1-2H3,(H,15,16)/t8-,10+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>5.00E+4	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