Reaction Details Report a problem with these data
Target
Tumor necrosis factor
Ligand
BDBM54498
Substrate
n/a
Meas. Tech.
HTS dose response assay for identification of inhibitors of TNFa-specific NF-kB induction
IC50
1678±154.5 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:
BDBM54498
Synonyms:
2-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-N-[1-(phenylmethyl)piperidin-4-yl]ethanamide | 2-[[2-(4-chlorophenyl)-5-methyl-4-oxazolyl]methylthio]-N-[1-(phenylmethyl)-4-piperidinyl]acetamide | MLS001030649 | N-(1-benzyl-4-piperidyl)-2-[[2-(4-chlorophenyl)-5-methyl-oxazol-4-yl]methylthio]acetamide | N-(1-benzylpiperidin-4-yl)-2-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]acetamide | SMR000635218 | cid_20968904
Type:
Small organic molecule
Emp. Form.:
C25H28ClN3O2S
Mol. Mass.:
470.027
SMILES:
Cc1oc(nc1CSCC(=O)NC1CCN(Cc2ccccc2)CC1)-c1ccc(Cl)cc1
Structure:
Search PDB for entries with ligand similarity: