Reaction Details Report a problem with these data
Target
Neutrophil elastase
Ligand
BDBM50098094
Substrate
n/a
Meas. Tech.
ChEBML_63795
IC50
26±n/a nM
Citation
Macdonald, SJ; Dowle, MD; Harrison, LA; Shah, P; Johnson, MR; Inglis, GG; Clarke, GD; Smith, RA; Humphreys, D; Molloy, CR; Amour, A; Dixon, M; Murkitt, G; Godward, RE; Padfield, T; Skarzynski, T; Singh, OM; Kumar, KA; Fleetwood, G; Hodgson, ST; Hardy, GW; Finch, H The discovery of a potent, intracellular, orally bioavailable, long duration inhibitor of human neutrophil elastase--GW311616A a development candidate. Bioorg Med Chem Lett 11:895-8 (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:
BDBM50098094
Synonyms:
(3R,6aR)-3-Isopropyl-1-methanesulfonyl-5-((E)-4-piperidin-1-yl-but-2-enoyl)-hexahydro-pyrrolo[3,4-b]pyrrol-2-one; hydrochloride | CHEMBL534687
Type:
Small organic molecule
Emp. Form.:
C19H31N3O4S
Mol. Mass.:
397.532
SMILES:
CC(C)[C@@H]1C2CN(C[C@@H]2N(C1=O)S(C)(=O)=O)C(=O)\C=C\CN1CCCCC1