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Target
Tumor necrosis factor
Ligand
BDBM54431
Substrate
n/a
Meas. Tech.
HTS dose response assay for identification of inhibitors of TNFa-specific NF-kB induction
IC50
451±273 nM
Citation
 PubChem, PC HTS dose response assay for identification of inhibitors of TNFa-specific NF-kB induction 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:
BDBM54431
Synonyms:
1-(5-hydroxy-2-methyl-1-p-phenetyl-indol-3-yl)ethanone | 1-[1-(4-Ethoxy-phenyl)-5-hydroxy-2-methyl-1H-indol-3-yl]-ethanone | 1-[1-(4-ethoxyphenyl)-2-methyl-5-oxidanyl-indol-3-yl]ethanone | 1-[1-(4-ethoxyphenyl)-5-hydroxy-2-methyl-3-indolyl]ethanone | 1-[1-(4-ethoxyphenyl)-5-hydroxy-2-methylindol-3-yl]ethanone | MLS001196289 | SMR000556341 | cid_786617
Type:
Small organic molecule
Emp. Form.:
C19H19NO3
Mol. Mass.:
309.3591
SMILES:
CCOc1ccc(cc1)-n1c(C)c(C(C)=O)c2cc(O)ccc12
Structure:
Search PDB for entries with ligand similarity: