Reaction Details Report a problem with these data
Target
Neutrophil elastase
Ligand
BDBM50060329
Substrate
n/a
Meas. Tech.
ChEMBL_63999 (CHEMBL673108)
Ki
1300±n/a nM
Citation
Regan, J; McGarry, D; Bruno, J; Green, D; Newman, J; Hsu, CY; Kline, J; Barton, J; Travis, J; Choi, YM; Volz, F; Pauls, H; Harrison, R; Zilberstein, A; Ben-Sasson, SA; Chang, M Anionic- and lipophilic-mediated surface binding inhibitors of human leukocyte elastase. J Med Chem 40:3408-22 (1997) [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:
BDBM50060329
Synonyms:
CHEMBL385442 | {2-{4-[5-Carboxymethoxy-4-(5-hydroxy-2-methoxy-4-methyl-benzyl)-2-methoxy-benzyl]-5-hydroxy-2-methoxy-benzyl}-5-[4-(2-carboxymethoxy-5-methoxy-benzyl)-2-hydroxy-5-methoxy-benzyl]-4-methoxy-phenoxy}-acetic acid
Type:
Small organic molecule
Emp. Form.:
C54H56O18
Mol. Mass.:
993.0116
SMILES:
COc1ccc(OCC(O)=O)c(Cc2cc(O)c(Cc3cc(OCC(O)=O)c(Cc4cc(O)c(Cc5cc(OCC(O)=O)c(Cc6cc(O)c(C)cc6OC)cc5OC)cc4OC)cc3OC)cc2OC)c1