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Target
Tumor necrosis factor
Ligand
BDBM54429
Substrate
n/a
Meas. Tech.
SAR analysis of inhibitors of TNFa specific NF-kB induction revised
IC50
8050±n/a nM
Citation
 PubChem, PC SAR analysis of inhibitors of TNFa specific NF-kB induction revised PubChem Bioassay (2010)[AID] 
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:
BDBM54429
Synonyms:
4-hydroxy-6-phenyl-2-{[3-(trifluoromethyl)benzyl]sulfanyl}-5-pyrimidinecarbonitrile | 4-keto-6-phenyl-2-[[3-(trifluoromethyl)benzyl]thio]-1H-pyrimidine-5-carbonitrile | 4-oxidanylidene-6-phenyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1H-pyrimidine-5-carbonitrile | 4-oxo-6-phenyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1H-pyrimidine-5-carbonitrile | 4-oxo-6-phenyl-2-[[3-(trifluoromethyl)phenyl]methylthio]-1H-pyrimidine-5-carbonitrile | MLS001165305 | SMR000549815 | cid_1471857
Type:
Small organic molecule
Emp. Form.:
C19H12F3N3OS
Mol. Mass.:
387.378
SMILES:
FC(F)(F)c1cccc(CSc2nc(-c3ccccc3)c(C#N)c(=O)[nH]2)c1
Structure:
Search PDB for entries with ligand similarity: