Reaction Details Report a problem with these data
Target
Neutrophil elastase
Ligand
BDBM50524829
Substrate
n/a
Meas. Tech.
ChEMBL_1894881 (CHEMBL4396802)
IC50
2600±n/a nM
Citation
 Agbowuro, AA; Hwang, J; Peel, E; Mazraani, R; Springwald, A; Marsh, JW; McCaughey, L; Gamble, AB; Huston, WM; Tyndall, JDA Structure-activity analysis of peptidic Chlamydia HtrA inhibitors. Bioorg Med Chem 27:4185-4199 (2019) [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:
BDBM50524829
Synonyms:
CHEMBL4472622
Type:
Small organic molecule
Emp. Form.:
C27H38N4O5S
Mol. Mass.:
530.679
SMILES:
CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)NC(C(C)C)C(=O)c1nc2ccccc2s1 |r|
Structure:
Search PDB for entries with ligand similarity: