Reaction Details Report a problem with these data
Target
Neutrophil elastase
Ligand
BDBM105233
Substrate
n/a
Meas. Tech.
In Vitro Inhibition Assay
pH
7.4±0
Temperature
310.15±0 K
IC50
28±0.0 nM
Citation
 Von Nussbaum, F; Karthaus, D; Delbeck, M; Li, VM; Meibom, D; Lustig, K 1,4-diaryl-pyrimidopyridazine-2,5-diones and their use US Patent  US8580800 Publication Date 11/12/2013 
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:
BDBM105233
Synonyms:
US8580800, 31
Type:
Small organic molecule
Emp. Form.:
C21H15F4N5O2
Mol. Mass.:
445.3697
SMILES:
CN1CC2=C([C@H](NC(=O)N2c2ccc(F)c(c2)C(F)(F)F)c2ccc(cc2)C#N)C(=O)N1 |r,t:3|
Structure:
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