Reaction Details Report a problem with these data
Target
Neutrophil elastase
Ligand
BDBM211908
Substrate
n/a
Meas. Tech.
Human Neutrophil Elastase Assay
pH
7.5±n/a
Temperature
298.15±n/a K
IC50
<1.00±n/a nM
Comments
extracted
Citation
 Gnamm, C; Oost, T; Peters, S; Hoesch, H; Ries, UJ Substituted bicyclic dihydropyrimidinones and their use as inhibitors of neutrophil elastase activity US Patent  US9670166 Publication Date 6/6/2017 
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:
BDBM211908
Synonyms:
US9290459, 48.2 | US9670166, 48.2
Type:
Small organic molecule
Emp. Form.:
C28H23F3N4O5S
Mol. Mass.:
584.566
SMILES:
CS(=O)(=O)c1cc(ccc1[C@H]1N(C(=O)NC2C3CC2C3)C(=O)N(C2=C1C(=O)CC2)c1cccc(c1)C(F)(F)F)C#N |r,wU:10.10,c:26,(-.3,4.09,;-1.64,3.32,;-2.41,1.99,;-.87,1.99,;-2.97,4.09,;-2.97,5.63,;-4.3,6.4,;-5.64,5.63,;-5.64,4.09,;-4.3,3.32,;-4.3,-.38,;-2.97,-1.15,;-1.64,-.38,;-1.64,1.15,;-.3,-1.15,;1.03,-.38,;2.52,-.78,;2.52,.76,;1.43,1.1,;2.97,1.1,;-2.97,-2.69,;-1.64,-3.46,;-4.3,-3.46,;-5.64,-2.69,;-5.64,-1.15,;-7.1,-.68,;-7.87,.65,;-8.01,-1.92,;-7.1,-3.17,;-4.3,-5,;-5.64,-5.77,;-5.64,-7.31,;-4.3,-8.08,;-2.92,-7.34,;-2.97,-5.77,;-1.59,-8.11,;-.25,-8.88,;-2.36,-9.45,;-.82,-6.78,;-4.3,7.94,;-4.3,9.48,)|
Structure:
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