BDBM50281010 (R)-3-Methyl-7-oxo-4-thia-1-aza-bicyclo[3.2.0]hept-2-ene-2-carboxylic acid benzyl ester::CHEMBL307886

SMILES: CC1=C(N2[C@@H](CC2=O)S1)C(=O)OCc1ccccc1

InChI Key: InChIKey=FNNILLVWECWIKZ-GFCCVEGCSA-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 = 50281010   

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))	BDBM50281010 ((R)-3-Methyl-7-oxo-4-thia-1-aza-bicyclo[3.2.0]hept...) Show SMILES CC1=C(N2[C@@H](CC2=O)S1)C(=O)OCc1ccccc1 |t:1| Show InChI InChI=1S/C14H13NO3S/c1-9-13(15-11(16)7-12(15)19-9)14(17)18-8-10-5-3-2-4-6-10/h2-6,12H,7-8H2,1H3/t12-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	3.10E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for its inhibitory effect against Human leukocyte elastase (HLE)				Bioorg Med Chem Lett 3: 2277-2282 (1993) Article DOI: 10.1016/S0960-894X(01)80939-2 BindingDB Entry DOI: 10.7270/Q2WW7HMK
					More data for this Ligand-Target Pair
Leukocyte elastase (Homo sapiens (Human))	BDBM50281010 ((R)-3-Methyl-7-oxo-4-thia-1-aza-bicyclo[3.2.0]hept...) Show SMILES CC1=C(N2[C@@H](CC2=O)S1)C(=O)OCc1ccccc1 |t:1| Show InChI InChI=1S/C14H13NO3S/c1-9-13(15-11(16)7-12(15)19-9)14(17)18-8-10-5-3-2-4-6-10/h2-6,12H,7-8H2,1H3/t12-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Human leukocyte elastase				Bioorg Med Chem Lett 3: 2277-2282 (1993) Article DOI: 10.1016/S0960-894X(01)80939-2 BindingDB Entry DOI: 10.7270/Q2WW7HMK
					More data for this Ligand-Target Pair