Reaction Details Report a problem with these data
Target
Tumor necrosis factor
Ligand
BDBM531350
Substrate
n/a
Meas. Tech.
TNF-alpha Secretion Assay
IC50
>100000±n/a nM
Citation
 Farady, C; Gommermann, N; Janser, P; Mackay, A; Mattes, H; Smith, N; Solovay, CF; Stiefl, NJ; Vangrevelinghe, E; Velcicky, J; von Matt, A NLRP3 inflammasome inhibitors US Patent  US11208399 Publication Date 12/28/2021 
Target
Name:
Tumor necrosis factor
Synonyms:
Cachectin | TNF | TNF-a | TNF-alpha | TNFA | TNFA_HUMAN | TNFSF2 | Tumor necrosis factor (TNF-alpha) | Tumor necrosis factor (TNFa) | Tumor necrosis factor alpha (TNFα) | Tumor necrosis factor ligand superfamily member 2 | Tumor necrosis factor, membrane form | Tumor necrosis factor, soluble form | tumor necrosis factor alpha
Type:
Enzyme
Mol. Mass.:
25645.11
Organism:
Homo sapiens (Human)
Description:
P01375
Residue:
233
Sequence:
MSTESMIRDVELAEEALPKKTGGPQGSRRCLFLSLFSFLIVAGATTLFCLLHFGVIGPQREEFPRDLSLISPLAQAVRSSSRTPSDKPVAHVVANPQAEGQLQWLNRRANALLANGVELRDNQLVVPSEGLYLIYSQVLFKGQGCPSTHVLLTHTISRIAVSYQTKVNLLSAIKSPCQRETPEGAEAKPWYEPIYLGGVFQLEKGDRLSAEINRPDYLDFAESGQVYFGIIAL
  
Inhibitor
Name:
BDBM531350
Synonyms:
2-(6-(((R)-1-((S)-2-Hydroxypropyl)piperidin-3-yl)amino)pyridazin-3-yl)-3-methyl-5-(trifluoromethyl)phenol | US11208399, Example 92a
Type:
Small organic molecule
Emp. Form.:
C20H25F3N4O2
Mol. Mass.:
410.4333
SMILES:
C[C@H](O)CN1CCC[C@H](C1)Nc1ccc(nn1)-c1c(C)cc(cc1O)C(F)(F)F
Structure:
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