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Target
Tumor necrosis factor
Ligand
BDBM59531
Substrate
n/a
Meas. Tech.
HTS dose response assay for identification of inhibitors of TNFa-specific NF-kB induction
IC50
841.75±668 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:
BDBM59531
Synonyms:
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-fluoranyl-4-methyl-phenyl)-5-nitro-3-oxidanyl-1,2,3-triazol-4-imine | 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-fluoro-4-methylphenyl)-3-hydroxy-5-nitro-4-triazolimine | 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-fluoro-4-methylphenyl)-3-hydroxy-5-nitrotriazol-4-imine | 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-fluoro-4-methylphenyl)-5-nitro-2H-1,2,3-triazol-4-amine 3-oxide | MLS000871736 | SMR000309255 | [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-hydroxy-5-nitro-triazol-4-ylidene]-(3-fluoro-4-methyl-phenyl)amine | cid_15996839
Type:
Small organic molecule
Emp. Form.:
C17H14FN5O5
Mol. Mass.:
387.322
SMILES:
Cc1ccc(cc1F)\N=c1\c(nn(-c2ccc3OCCOc3c2)n1O)[N+]([O-])=O
Structure:
Search PDB for entries with ligand similarity: