Reaction Details Report a problem with these data
Target
Neutrophil elastase
Ligand
BDBM232319
Substrate
US9346794, MeOSuc-Ala-Ala-Pro-Val-AMC
Meas. Tech.
Human Neutrophil Elastase Assay
pH
7.5±n/a
Temperature
298.15±n/a K
IC50
2.6±n/a nM
Comments
extracted
Citation
 Oost, T; Fiegen, D; Gnamm, C Substituted 4-pyridones and their use as inhibitors of neutrophil elastase activity US Patent  US9346794 Publication Date 5/24/2016 
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:
BDBM232319
Synonyms:
US9346794, 23
Type:
Small organic molecule
Emp. Form.:
C28H24F3N5O4S
Mol. Mass.:
583.581
SMILES:
Cc1noc(C)c1-n1cc(C(=O)NCc2ccc(cc2)S(C)(=O)=NC#N)c(=O)c(c1C)-c1cccc(c1)C(F)(F)F |(1.91,-5.11,;.58,-5.88,;.1,-7.34,;-1.44,-7.34,;-1.91,-5.88,;-3.25,-5.11,;-.67,-4.98,;-.67,-3.44,;.67,-2.67,;.67,-1.13,;2,-.36,;2,1.18,;3.33,-1.13,;4.67,-.36,;4.67,1.18,;6,1.95,;6,3.49,;4.67,4.26,;3.33,3.49,;3.33,1.95,;4.67,5.8,;6,6.57,;4.67,7.34,;3.13,5.8,;1.59,5.8,;.05,5.8,;-.67,-.36,;-.67,1.18,;-2,-1.13,;-2,-2.67,;-3.33,-3.44,;-3.33,-.36,;-4.67,-1.13,;-6,-.36,;-6,1.18,;-4.67,1.95,;-3.33,1.18,;-4.67,3.49,;-3.33,4.26,;-6,4.26,;-4.67,5.03,)|
Structure:
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Substrate
Name:
BDBM211682
Synonyms:
US9290457, MeOSuc-AAPV-AMC
Type:
Substrate
Emp. Form.:
C31H41N5O9
Mol. Mass.:
627.6853
SMILES:
COC(=O)CCC(=O)NC(C)C(=O)NC(C)C(=O)N1CCCC1C(=O)NC(C(C)C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1
Structure:
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