Reaction Details Report a problem with these data
Target
Tumor necrosis factor
Ligand
BDBM59516
Substrate
n/a
Meas. Tech.
HTS dose response assay for identification of inhibitors of TNFa-specific NF-kB induction
IC50
312.5±0 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:
BDBM59516
Synonyms:
2-({3-nitro-4-methylbenzoyl}amino)-5-methyl-4-phenylthiophene-3-carboxamide | 5-methyl-2-[(4-methyl-3-nitro-benzoyl)amino]-4-phenyl-thiophene-3-carboxamide | 5-methyl-2-[(4-methyl-3-nitro-phenyl)carbonylamino]-4-phenyl-thiophene-3-carboxamide | 5-methyl-2-[(4-methyl-3-nitrobenzoyl)amino]-4-phenylthiophene-3-carboxamide | 5-methyl-2-[[(4-methyl-3-nitrophenyl)-oxomethyl]amino]-4-phenyl-3-thiophenecarboxamide | MLS000538179 | SMR000159744 | cid_1014820
Type:
Small organic molecule
Emp. Form.:
C20H17N3O4S
Mol. Mass.:
395.432
SMILES:
Cc1sc(NC(=O)c2ccc(C)c(c2)[N+]([O-])=O)c(C(N)=O)c1-c1ccccc1
Structure:
Search PDB for entries with ligand similarity: