BDBM50015926 7-Methoxy-3-methoxymethyl-5,5,8-trioxo-5lambda*6*-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester::CHEMBL86006

SMILES: COCC1=C(N2C([C@@H](OC)C2=O)S(=O)(=O)C1)C(=O)OC(C)(C)C

InChI Key: InChIKey=KQDQGZHDQUMLMJ-NUHJPDEHSA-N

Data: 1 KI  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 2 hits for monomerid = 50015926   

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))	BDBM50015926 (7-Methoxy-3-methoxymethyl-5,5,8-trioxo-5lambda*6*-...) Show SMILES COCC1=C(N2C([C@@H](OC)C2=O)S(=O)(=O)C1)C(=O)OC(C)(C)C |t:3| Show InChI InChI=1S/C14H21NO7S/c1-14(2,3)22-13(17)9-8(6-20-4)7-23(18,19)12-10(21-5)11(16)15(9)12/h10,12H,6-7H2,1-5H3/t10-,12?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.60E+3	n/a	n/a	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 inhibitory activity against human leukocyte elastase (HLE)				J Med Chem 33: 2529-35 (1990) BindingDB Entry DOI: 10.7270/Q2FQ9VK8
					More data for this Ligand-Target Pair
Leukocyte elastase (Homo sapiens (Human))	BDBM50015926 (7-Methoxy-3-methoxymethyl-5,5,8-trioxo-5lambda*6*-...) Show SMILES COCC1=C(N2C([C@@H](OC)C2=O)S(=O)(=O)C1)C(=O)OC(C)(C)C |t:3| Show InChI InChI=1S/C14H21NO7S/c1-14(2,3)22-13(17)9-8(6-20-4)7-23(18,19)12-10(21-5)11(16)15(9)12/h10,12H,6-7H2,1-5H3/t10-,12?/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	1.00E+3	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 inhibitory activity against human leukocyte elastase (HLE)				J Med Chem 33: 2529-35 (1990) BindingDB Entry DOI: 10.7270/Q2FQ9VK8
					More data for this Ligand-Target Pair