Reaction Details Report a problem with these data
Target
Tumor necrosis factor
Ligand
BDBM37016
Substrate
n/a
Meas. Tech.
HTS dose response assay for identification of inhibitors of TNFa-specific NF-kB induction
IC50
312.5±0 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:
BDBM37016
Synonyms:
MLS000056239 | N-[2-[2-[2,5-dimethyl-1-(2-thenyl)pyrrol-3-yl]-2-keto-ethoxy]phenyl]acetamide | N-[2-[2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)-3-pyrrolyl]-2-oxoethoxy]phenyl]acetamide | N-[2-[2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-oxidanylidene-ethoxy]phenyl]ethanamide | N-[2-[2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-oxoethoxy]phenyl]acetamide | SMR000068045 | cid_2524461
Type:
Small organic molecule
Emp. Form.:
C21H22N2O3S
Mol. Mass.:
382.476
SMILES:
CC(=O)Nc1ccccc1OCC(=O)c1cc(C)n(Cc2cccs2)c1C
Structure:
Search PDB for entries with ligand similarity: