Reaction Details Report a problem with these data
Target
Tumor necrosis factor
Ligand
BDBM54261
Substrate
n/a
Meas. Tech.
HTS dose response assay for identification of inhibitors of TNFa-specific NF-kB induction
IC50
1809±99 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:
BDBM54261
Synonyms:
MLS000417624 | N-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)-2-quinazolin-4-ylsulfanyl-ethanamide | N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-2-quinazolin-4-ylsulfanylacetamide | N-(4-methyl-3-piperidinosulfonyl-phenyl)-2-(quinazolin-4-ylthio)acetamide | N-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-2-(4-quinazolinylthio)acetamide | SMR000242760 | cid_4206032
Type:
Small organic molecule
Emp. Form.:
C22H24N4O3S2
Mol. Mass.:
456.581
SMILES:
Cc1ccc(NC(=O)CSc2ncnc3ccccc23)cc1S(=O)(=O)N1CCCCC1
Structure:
Search PDB for entries with ligand similarity: