BDBM50060354 3-Acetoxymethyl-7-[2-hydroxy-eth-(Z)-ylidene]-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester::CHEMBL116416

SMILES: CC(=O)OCC1=C(N2C(SC1)\C(=C/CO)C2=O)C(=O)OC(c1ccccc1)c1ccccc1

InChI Key: InChIKey=ZPOIMDCAWMDNMJ-NDENLUEZSA-N

Data: 2 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 = 50060354   

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
Pancreatic elastase (Sus scrofa)	BDBM50060354 (3-Acetoxymethyl-7-[2-hydroxy-eth-(Z)-ylidene]-8-ox...) Show SMILES CC(=O)OCC1=C(N2C(SC1)\C(=C/CO)C2=O)C(=O)OC(c1ccccc1)c1ccccc1 |t:5| Show InChI InChI=1S/C25H23NO6S/c1-16(28)31-14-19-15-33-24-20(12-13-27)23(29)26(24)21(19)25(30)32-22(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-12,22,24,27H,13-15H2,1H3/b20-12-	MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+7	n/a	n/a	n/a	n/a	n/a	n/a
Southern Methodist University Curated by ChEMBL					Assay Description Inhibition of porcine pancreatic elastase				J Med Chem 40: 3423-33 (1997) Article DOI: 10.1021/jm970351x BindingDB Entry DOI: 10.7270/Q22R3QRH
					More data for this Ligand-Target Pair
Leukocyte elastase (Homo sapiens (Human))	BDBM50060354 (3-Acetoxymethyl-7-[2-hydroxy-eth-(Z)-ylidene]-8-ox...) Show SMILES CC(=O)OCC1=C(N2C(SC1)\C(=C/CO)C2=O)C(=O)OC(c1ccccc1)c1ccccc1 |t:5| Show InChI InChI=1S/C25H23NO6S/c1-16(28)31-14-19-15-33-24-20(12-13-27)23(29)26(24)21(19)25(30)32-22(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-12,22,24,27H,13-15H2,1H3/b20-12-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+7	n/a	n/a	n/a	n/a	n/a	n/a
Southern Methodist University Curated by ChEMBL					Assay Description Inhibition of human leukocyte elastase				J Med Chem 40: 3423-33 (1997) Article DOI: 10.1021/jm970351x BindingDB Entry DOI: 10.7270/Q22R3QRH
					More data for this Ligand-Target Pair