BDBM50281018 (R)-6-Ethyl-7-oxo-3-phenyl-4-thia-1-aza-bicyclo[3.2.0]hept-2-ene-2-carboxylic acid benzyl ester::CHEMBL305625

SMILES: CCC1[C@H]2SC(=C(N2C1=O)C(=O)OCc1ccccc1)c1ccccc1

InChI Key: InChIKey=YZJZTHCPJNTLDY-OTOKDRCRSA-N

Data: 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 1 hit for monomerid = 50281018   

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))	BDBM50281018 ((R)-6-Ethyl-7-oxo-3-phenyl-4-thia-1-aza-bicyclo[3....) Show SMILES CCC1[C@H]2SC(=C(N2C1=O)C(=O)OCc1ccccc1)c1ccccc1 |c:5| Show InChI InChI=1S/C21H19NO3S/c1-2-16-19(23)22-17(21(24)25-13-14-9-5-3-6-10-14)18(26-20(16)22)15-11-7-4-8-12-15/h3-12,16,20H,2,13H2,1H3/t16?,20-/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	300	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