Target
Neutrophil elastase
Ligand
BDBM50120431
Substrate
n/a
Meas. Tech.
ChEMBL_1517833 (CHEMBL3620524)
IC50
17±n/a nM
Citation
 von Nussbaum, FLi, VM Neutrophil elastase inhibitors for the treatment of (cardio)pulmonary diseases: Into clinical testing with pre-adaptive pharmacophores. Bioorg Med Chem Lett 25:4370-81 (2015) [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:
BDBM50120431
Synonyms:
CHEMBL3617963
Type:
Small organic molecule
Emp. Form.:
C26H24ClN3O5S
Mol. Mass.:
526.004
SMILES:
Cc1noc(C)c1-c1cc(C(=O)NCc2ccc(cc2)S(C)(=O)=O)c(=O)n(-c2cccc(Cl)c2)c1C |(4.3,-4.31,;4.06,-5.52,;5.09,-6.66,;4.33,-7.99,;2.82,-7.68,;1.9,-8.5,;2.67,-6.16,;1.34,-5.39,;0,-6.16,;-1.33,-5.39,;-2.66,-6.17,;-3.73,-5.56,;-2.66,-7.71,;-3.99,-8.48,;-3.98,-10.03,;-5.31,-10.8,;-5.31,-12.34,;-3.97,-13.11,;-2.64,-12.33,;-2.65,-10.79,;-3.96,-14.65,;-3.95,-15.88,;-5.02,-15.27,;-2.89,-15.26,;-1.33,-3.85,;-2.4,-3.24,;,-3.08,;,-1.54,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-2.4,1.39,;-1.33,-.77,;1.33,-3.85,;2.4,-3.23,)|
Structure:
Search PDB for entries with ligand similarity: