Reaction Details Report a problem with these data
Target
Neutrophil elastase
Ligand
BDBM50095518
Substrate
n/a
Meas. Tech.
ChEMBL_88197 (CHEMBL699807)
Ki
44.3±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
More Info.:
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:
BDBM50095518
Synonyms:
(S)-N-[1-(5-tert-Butyl-[1,3,4]oxadiazole-2-carbonyl)-2-methyl-propyl]-2-[2-(4-fluoro-phenyl)-6-oxo-6H-pyrimidin-1-yl]-acetamidewith 0.7 moles of H20 | CHEMBL22927 | N-[1-(5-tert-Butyl-[1,3,4]oxadiazole-2-carbonyl)-2-methyl-propyl]-2-[2-(4-fluoro-phenyl)-6-oxo-6H-pyrimidin-1-yl]-acetamide
Type:
Small organic molecule
Emp. Form.:
C23H26FN5O4
Mol. Mass.:
455.482
SMILES:
CC(C)[C@H](NC(=O)Cn1c(nccc1=O)-c1ccc(F)cc1)C(=O)c1nnc(o1)C(C)(C)C