Reaction Details  Report a problem with these data
Target
Neutrophil elastase
Ligand
BDBM50036127
Substrate
n/a
Meas. Tech.
ChEMBL_63996 (CHEMBL673105)
Ki
4.5±n/a nM
Citation
 Brown, FJ; Andisik, DW; Bernstein, PR; Bryant, CB; Ceccarelli, C; Damewood, JR; Edwards, PD; Earley, RA; Feeney, S; Green, RC Design of orally active, non-peptidic inhibitors of human leukocyte elastase. J Med Chem 37:1259-61 (1994) [PubMed]
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:
BDBM50036127
Synonyms:
CHEMBL11391 | {2-Oxo-6-phenyl-1-[(3,3,3-trifluoro-1-isopropyl-2-oxo-propylcarbamoyl)-methyl]-1,2-dihydro-pyridin-3-yl}-carbamic acid benzyl ester
Type:
Small organic molecule
Emp. Form.:
C27H26F3N3O5
Mol. Mass.:
529.5076
SMILES:
CC(C)C(NC(=O)Cn1c(ccc(NC(=O)OCc2ccccc2)c1=O)-c1ccccc1)C(=O)C(F)(F)F
Structure:
Search PDB for entries with ligand similarity: