Reaction Details Report a problem with these data
Target
Tumor necrosis factor
Ligand
BDBM54394
Substrate
n/a
Meas. Tech.
HTS dose response assay for identification of inhibitors of TNFa-specific NF-kB induction
IC50
1615.5±258.5 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:
BDBM54394
Synonyms:
2-Chloro-N-{4-[4-(2-chloro-acetylamino)-phenylsulfanyl]-phenyl}-acetamide | 2-chloranyl-N-[4-[4-(2-chloranylethanoylamino)phenyl]sulfanylphenyl]ethanamide | 2-chloro-N-[4-[4-[(2-chloroacetyl)amino]phenyl]sulfanylphenyl]acetamide | 2-chloro-N-[4-[[4-[(2-chloro-1-oxoethyl)amino]phenyl]thio]phenyl]acetamide | 2-chloro-N-[4-[[4-[(2-chloroacetyl)amino]phenyl]thio]phenyl]acetamide | MLS000770022 | SMR000434754 | cid_1934236
Type:
Small organic molecule
Emp. Form.:
C16H14Cl2N2O2S
Mol. Mass.:
369.266
SMILES:
ClCC(=O)Nc1ccc(Sc2ccc(NC(=O)CCl)cc2)cc1
Structure:
Search PDB for entries with ligand similarity: