Reaction Details Report a problem with these data
Target
Tumor necrosis factor
Ligand
BDBM54363
Substrate
n/a
Meas. Tech.
HTS dose response assay for identification of inhibitors of TNFa-specific NF-kB induction
IC50
1539.5±311.5 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:
BDBM54363
Synonyms:
3-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanoic acid | 3-[(6-phenyl-4-thieno[2,3-d]pyrimidinyl)thio]propanoic acid | 3-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)thio]propionic acid | MLS000760070 | SMR000370187 | cid_1277376
Type:
Small organic molecule
Emp. Form.:
C15H12N2O2S2
Mol. Mass.:
316.398
SMILES:
OC(=O)CCSc1ncnc2sc(cc12)-c1ccccc1
Structure:
Search PDB for entries with ligand similarity: