BDBM50015868 3-Acetoxymethyl-7-isopropoxy-5,5,8-trioxo-5lambda*6*-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester::CHEMBL84442

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

InChI Key: InChIKey=RBLBVIUSEMGREF-DZGCQCFKSA-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 = 50015868   

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))	BDBM50015868 (3-Acetoxymethyl-7-isopropoxy-5,5,8-trioxo-5lambda*...) Show SMILES CC(C)O[C@@H]1[C@@H]2N(C1=O)C(C(=O)OC(C)(C)C)=C(COC(C)=O)CS2(=O)=O |t:17| Show InChI InChI=1S/C17H25NO8S/c1-9(2)25-13-14(20)18-12(16(21)26-17(4,5)6)11(7-24-10(3)19)8-27(22,23)15(13)18/h9,13,15H,7-8H2,1-6H3/t13-,15+/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	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration which is required to cause 50% inhibition of human leukocyte elastase (HLE) enzyme				J Med Chem 33: 2513-21 (1990) BindingDB Entry DOI: 10.7270/Q2Q81C2Q
					More data for this Ligand-Target Pair