BDBM50003161 3-Ethyl-7-methoxy-5,5,8-trioxo-5lambda*6*-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid 4-carboxy-benzyl ester::CHEMBL331287

SMILES: CCC1=C(N2[C@@H]([C@@H](OC)C2=O)S(=O)(=O)C1)C(=O)OCc1ccc(cc1)C(O)=O

InChI Key: InChIKey=KFDKLAUDTCGQDP-GOEBONIOSA-N

Data: 1 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 1 hit for monomerid = 50003161   

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))	BDBM50003161 (3-Ethyl-7-methoxy-5,5,8-trioxo-5lambda*6*-thia-1-a...) Show SMILES CCC1=C(N2[C@@H]([C@@H](OC)C2=O)S(=O)(=O)C1)C(=O)OCc1ccc(cc1)C(O)=O |t:2| Show InChI InChI=1S/C18H19NO8S/c1-3-11-9-28(24,25)16-14(26-2)15(20)19(16)13(11)18(23)27-8-10-4-6-12(7-5-10)17(21)22/h4-7,14,16H,3,8-9H2,1-2H3,(H,21,22)/t14-,16+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Second order rate constant for the in vitro inhibitory activity against human leukocyte elastase				J Med Chem 35: 3731-44 (1992) BindingDB Entry DOI: 10.7270/Q2BP03D7
					More data for this Ligand-Target Pair