Target
Tumor necrosis factor
Ligand
BDBM54246
Substrate
n/a
Meas. Tech.
HTS dose response assay for identification of inhibitors of TNFa-specific NF-kB induction
IC50
1526±204 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:
BDBM54246
Synonyms:
2,5-Bis-dimethylaminomethyl-1,6-bis-(4-ethoxy-phenyl)-hexane-1,6-dione | 2,5-bis[(dimethylamino)methyl]-1,6-bis(4-ethoxyphenyl)hexane-1,6-dione;hydrochloride | 2,5-bis[(dimethylamino)methyl]-1,6-bis(p-phenetyl)hexane-1,6-dione;hydrochloride | MLS000587167 | SMR000211186 | cid_12005599
Type:
Small organic molecule
Emp. Form.:
C28H40N2O4
Mol. Mass.:
468.6282
SMILES:
CCOc1ccc(cc1)C(=O)C(CCC(CN(C)C)C(=O)c1ccc(OCC)cc1)CN(C)C
Structure:
Search PDB for entries with ligand similarity: