Reaction Details Report a problem with these data
Target
Neutrophil elastase
Ligand
BDBM50095530
Substrate
n/a
Meas. Tech.
ChEMBL_88197 (CHEMBL699807)
Ki
0.52±n/a nM
Citation
 Ohmoto, K; Yamamoto, T; Horiuchi, T; Imanishi, H; Odagaki, Y; Kawabata, K; Sekioka, T; Hirota, Y; Matsuoka, S; Nakai, H; Toda, M; Cheronis, JC; Spruce, LW; Gyorkos, A; Wieczorek, M Design and synthesis of new orally active nonpeptidic inhibitors of human neutrophil elastase. J Med Chem 43:4927-9 (2001) [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:
BDBM50095530
Synonyms:
(S)-2-(5-amino-2-(4-fluorophenyl)-6-oxopyrimidin-1(6H)-yl)-N-(3-methyl-1-oxo-1-(5-(2-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl)butan-2-yl)acetamide | (S)-2-[5-Amino-2-(4-fluoro-phenyl)-6-oxo-6H-pyrimidin-1-yl]-N-{2-methyl-1-[5-(1-methyl-1-phenyl-ethyl)-[1,3,4]oxadiazole-2-carbonyl]-propyl}-acetamidewith 1 mole of H20 | 2-[5-Amino-2-(4-fluoro-phenyl)-6-oxo-6H-pyrimidin-1-yl]-N-{2-methyl-1-[5-(1-methyl-1-phenyl-ethyl)-[1,3,4]oxadiazole-2-carbonyl]-propyl}-acetamide | CHEMBL277672
Type:
Small organic molecule
Emp. Form.:
C28H29FN6O4
Mol. Mass.:
532.5661
SMILES:
CC(C)[C@H](NC(=O)Cn1c(ncc(N)c1=O)-c1ccc(F)cc1)C(=O)c1nnc(o1)C(C)(C)c1ccccc1
Structure:
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