Reaction Details Report a problem with these data
Target
Tumor necrosis factor
Ligand
BDBM36852
Substrate
n/a
Meas. Tech.
HTS dose response assay for identification of inhibitors of TNFa-specific NF-kB induction
IC50
4501±304.5 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:
BDBM36852
Synonyms:
MLS000073104 | N-(4-Benzo[1,3]dioxol-5-yl-thiazol-2-yl)-isonicotinamide | N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]pyridine-4-carboxamide | N-[4-(1,3-benzodioxol-5-yl)-2-thiazolyl]-4-pyridinecarboxamide | N-[4-(1,3-benzodioxol-5-yl)thiazol-2-yl]isonicotinamide | SMR000002319 | cid_650651
Type:
Small organic molecule
Emp. Form.:
C16H11N3O3S
Mol. Mass.:
325.342
SMILES:
O=C(Nc1nc(cs1)-c1ccc2OCOc2c1)c1ccncc1
Structure:
Search PDB for entries with ligand similarity: