Reaction Details  Report a problem with these data
Target
Tumor necrosis factor
Ligand
BDBM54451
Substrate
n/a
Meas. Tech.
SAR analysis of inhibitors of TNFa specific NF-kB induction revised
IC50
2090±n/a nM
Citation
 PubChem, PC SAR analysis of inhibitors of TNFa specific NF-kB induction revised 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:
BDBM54451
Synonyms:
3-[[3-(dimethylsulfamoyl)phenyl]methylsulfanylmethyl]-N,N-dimethyl-benzenesulfonamide | 3-[[3-(dimethylsulfamoyl)phenyl]methylsulfanylmethyl]-N,N-dimethylbenzenesulfonamide | 3-[[[3-(dimethylsulfamoyl)benzyl]thio]methyl]-N,N-dimethyl-benzenesulfonamide | 3-[[[3-(dimethylsulfamoyl)phenyl]methylthio]methyl]-N,N-dimethylbenzenesulfonamide | MLS001174426 | SMR000588751 | cid_2118660
Type:
Small organic molecule
Emp. Form.:
C18H24N2O4S3
Mol. Mass.:
428.589
SMILES:
CN(C)S(=O)(=O)c1cccc(CSCc2cccc(c2)S(=O)(=O)N(C)C)c1
Structure:
Search PDB for entries with ligand similarity: