Reaction Details Report a problem with these data
Target
Tumor necrosis factor
Ligand
BDBM54520
Substrate
n/a
Meas. Tech.
HTS dose response assay for identification of inhibitors of TNFa-specific NF-kB induction
IC50
8226±945 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:
BDBM54520
Synonyms:
MLS001072146 | N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]pyridine-4-carboxamide | N-[4-(2-ethylpiperidino)sulfonylphenyl]isonicotinamide | N-[4-[(2-ethyl-1-piperidinyl)sulfonyl]phenyl]-4-pyridinecarboxamide | SMR000671409 | cid_6470627
Type:
Small organic molecule
Emp. Form.:
C19H23N3O3S
Mol. Mass.:
373.469
SMILES:
CCC1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2ccncc2)cc1
Structure:
Search PDB for entries with ligand similarity: