Reaction Details Report a problem with these data
Target
Neutrophil elastase
Ligand
BDBM405517
Substrate
n/a
Meas. Tech.
Enzyme Inhibition Assay
IC50
<1.000±n/a nM
Citation
 Gnamm, C; Oost, T; Peters, S; Rudolf, K Substituted bicyclic dihydropyrimidinones and their use as inhibitors of neutrophil elastase activity US Patent  USRE47493 Publication Date 7/9/2019 
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:
BDBM405517
Synonyms:
USRE47493, Example 70.15
Type:
Small organic molecule
Emp. Form.:
C29H27F3N4O3
Mol. Mass.:
536.5449
SMILES:
CC1CC(CNC(=O)N2C(C3=C(CCCC3=O)N(C2=O)c2cccc(c2)C(F)(F)F)c2ccc(cc2)C#N)C1 |t:10,(8.93,-3.24,;8.05,-1.98,;6.58,-1.51,;6.58,.03,;5.25,.8,;4,-.1,;2.67,.67,;2.67,2.21,;1.33,-.1,;,.67,;-1.33,-.1,;-1.33,-1.64,;-2.67,-2.41,;-4,-1.64,;-4,-.1,;-2.67,.67,;-2.67,2.21,;,-2.41,;1.33,-1.64,;2.67,-2.41,;,-3.95,;-1.33,-4.72,;-1.33,-6.26,;,-7.03,;1.38,-6.29,;1.33,-4.72,;2.72,-7.06,;4.05,-7.83,;1.95,-8.39,;3.49,-5.73,;,2.21,;1.33,2.98,;1.33,4.52,;,5.29,;-1.33,4.52,;-1.33,2.98,;,6.83,;,8.37,;8.09,-.29,)|
Structure:
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