Reaction Details Report a problem with these data
Target
Tumor necrosis factor
Ligand
BDBM46386
Substrate
n/a
Meas. Tech.
HTS dose response assay for identification of inhibitors of TNFa-specific NF-kB induction
IC50
4343±2534.5 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:
BDBM46386
Synonyms:
4-[(2-bromanylphenoxy)methyl]-N-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]benzamide | 4-[(2-bromophenoxy)methyl]-N-[4-[(3,5-dimethyl-1-pyrazolyl)methyl]phenyl]benzamide | 4-[(2-bromophenoxy)methyl]-N-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]benzamide | 4-[(2-bromophenoxy)methyl]-N-{4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]phenyl}benzamide | MLS000544434 | SMR000160010 | cid_997451
Type:
Small organic molecule
Emp. Form.:
C26H24BrN3O2
Mol. Mass.:
490.392
SMILES:
Cc1cc(C)n(Cc2ccc(NC(=O)c3ccc(COc4ccccc4Br)cc3)cc2)n1
Structure:
Search PDB for entries with ligand similarity: