Reaction Details Report a problem with these data
Target
Neutrophil elastase
Ligand
BDBM50036048
Substrate
n/a
Meas. Tech.
ChEMBL_63986 (CHEMBL677612)
Ki
87000±n/a nM
Citation
 Edwards, PD; Wolanin, DJ; Andisik, DW; Davis, MW Peptidyl alpha-ketoheterocyclic inhibitors of human neutrophil elastase. 2. Effect of varying the heterocyclic ring on in vitro potency. J Med Chem 38:76-85 (1995) [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:
BDBM50036048
Synonyms:
((S)-1-{(S)-2-[(S)-1-(3-Ethoxy-pyridine-2-carbonyl)-2-methyl-propylcarbamoyl]-pyrrolidine-1-carbonyl}-2-methyl-propyl)-carbamic acid benzyl ester | CHEMBL166598
Type:
Small organic molecule
Emp. Form.:
C30H40N4O6
Mol. Mass.:
552.6618
SMILES:
CCOc1cccnc1C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(C)C
Structure:
Search PDB for entries with ligand similarity: