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Target
Neutrophil elastase
Ligand
BDBM50060353
Substrate
n/a
Meas. Tech.
ChEMBL_63661 (CHEMBL675717)
IC50
5400000±n/a nM
Citation
 Buynak, JD; Rao, AS; Ford, GP; Carver, C; Adam, G; Geng, B; Bachmann, B; Shobassy, S; Lackey, S 7-alkylidenecephalosporin esters as inhibitors of human leukocyte elastase. J Med Chem 40:3423-33 (1997) [PubMed]  Article 
Target
Name:
Neutrophil elastase
Synonyms:
Bone marrow serine protease | Chymotrypsin | Coagulation factor X | ELA2 | ELANE | ELNE_HUMAN | Elastase | Elastase-2 | HLE | Human leukocyte elastase | Leukocyte elastase | Leukocyte elastase (HLE) | Medullasin | Neutrophil elastase | Neutrophil elastase (HNE) | Neutrophil elastase (NE) | PMN elastase | Thrombin | Trypsin
Type:
Enzyme
Mol. Mass.:
28532.38
Organism:
Homo sapiens (Human)
Description:
P08246
Residue:
267
Sequence:
MTLGRRLACLFLACVLPALLLGGTALASEIVGGRRARPHAWPFMVSLQLRGGHFCGATLIAPNFVMSAAHCVANVNVRAVRVVLGAHNLSRREPTRQVFAVQRIFENGYDPVNLLNDIVILQLNGSATINANVQVAQLPAQGRRLGNGVQCLAMGWGLLGRNRGIASVLQELNVTVVTSLCRRSNVCTLVRGRQAGVCFGDSGSPLVCNGLIHGIASFVRGGCASGLYPDAFAPVAQFVNWIDSIIQRSEDNPCPHPRDPDPASRTH
  
Inhibitor
Name:
BDBM50060353
Synonyms:
3-Acetoxymethyl-7-bromovinylidene-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester | CHEMBL116898
Type:
Small organic molecule
Emp. Form.:
C25H20BrNO5S
Mol. Mass.:
526.399
SMILES:
CC(=O)OCC1=C(N2C(SC1)C(=C=CBr)C2=O)C(=O)OC(c1ccccc1)c1ccccc1 |t:5,(13.64,-2.35,;12.32,-3.12,;12.32,-4.66,;10.98,-2.35,;9.63,-3.14,;8.31,-2.37,;6.97,-3.14,;5.62,-2.37,;5.66,-.83,;6.97,-.04,;8.31,-.81,;4.11,-.81,;3.03,.28,;1.94,1.37,;2.32,2.88,;4.09,-2.35,;2.99,-3.44,;6.97,-4.68,;5.62,-5.45,;8.31,-5.45,;8.31,-6.99,;9.63,-7.76,;9.63,-9.3,;10.97,-10.07,;12.3,-9.3,;12.3,-7.74,;10.95,-6.99,;6.97,-7.76,;5.62,-6.99,;4.31,-7.76,;4.31,-9.3,;5.66,-10.07,;6.97,-9.3,)|
Structure:
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