Reaction Details Report a problem with these data
Target
Neutrophil elastase
Ligand
BDBM50095523
Substrate
n/a
Meas. Tech.
ChEMBL_63965 (CHEMBL677434)
Ki
0.025±n/a nM
Citation
Ohmoto, K; Yamamoto, T; Okuma, M; 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 Development of orally active nonpeptidic inhibitors of human neutrophil elastase. J Med Chem 44:1268-85 (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:
BDBM50095523
Synonyms:
CHEMBL285231 | [(S)-2-methyl-1-((S)-2-{(S)-2-methyl-1-[5-(3-methyl-benzyl)-[1,3,4]oxadiazole-2-carbonyl]-propylcarbamoyl}-pyrrolidine-1-carbonyl)-propyl]-carbamic acid benzyl ester | [2-Methyl-1-(2-{2-methyl-1-[5-(3-methyl-benzyl)-[1,3,4]oxadiazole-2-carbonyl]-propylcarbamoyl}-pyrrolidine-1-carbonyl)-propyl]-carbamic acid benzyl ester
Type:
Small organic molecule
Emp. Form.:
C33H41N5O6
Mol. Mass.:
603.7085
SMILES:
CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)c1nnc(Cc2cccc(C)c2)o1