Reaction Details Report a problem with these data
Target
Tumor necrosis factor
Ligand
BDBM59544
Substrate
n/a
Meas. Tech.
SAR analysis of inhibitors of TNFa specific NF-kB induction revised
IC50
2050±n/a nM
Citation
 PubChem, PC SAR analysis of inhibitors of TNFa specific NF-kB induction revised 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:
BDBM59544
Synonyms:
4-(3,4-Dihydro-1H-isoquinolin-2-ylmethyl)-N-(4-ethoxy-phenyl)-benzamide | 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(4-ethoxyphenyl)benzamide | 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-p-phenetyl-benzamide | MLS001211849 | SMR000515367 | cid_1106360
Type:
Small organic molecule
Emp. Form.:
C25H26N2O2
Mol. Mass.:
386.4861
SMILES:
CCOc1ccc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1
Structure:
Search PDB for entries with ligand similarity: