BDBM50060363 3-Acetoxymethyl-8-oxo-7-vinylidene-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester::CHEMBL323690

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

InChI Key: InChIKey=MCCATDOSYJWXAH-UHFFFAOYSA-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 = 50060363   

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)	BDBM50060363 (3-Acetoxymethyl-8-oxo-7-vinylidene-5-thia-1-aza-bi...) Show SMILES CC(=O)OCC1=C(N2C(SC1)C(=C=C)C2=O)C(=O)OC(c1ccccc1)c1ccccc1 |t:5| Show InChI InChI=1S/C25H21NO5S/c1-3-20-23(28)26-21(19(14-30-16(2)27)15-32-24(20)26)25(29)31-22(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,22,24H,1,14-15H2,2H3	MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.70E+5	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))	BDBM50060363 (3-Acetoxymethyl-8-oxo-7-vinylidene-5-thia-1-aza-bi...) Show SMILES CC(=O)OCC1=C(N2C(SC1)C(=C=C)C2=O)C(=O)OC(c1ccccc1)c1ccccc1 |t:5| Show InChI InChI=1S/C25H21NO5S/c1-3-20-23(28)26-21(19(14-30-16(2)27)15-32-24(20)26)25(29)31-22(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,22,24H,1,14-15H2,2H3	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	9.00E+6	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