Reaction Details Report a problem with these data
Target
Tumor necrosis factor
Ligand
BDBM41612
Substrate
n/a
Meas. Tech.
SAR analysis of inhibitors of TNFa specific NF-kB induction revised
IC50
627±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:
BDBM41612
Synonyms:
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(4-morpholin-4-ylsulfonylphenyl)benzamide | 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(4-morpholinosulfonylphenyl)benzamide | 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[4-(4-morpholinylsulfonyl)phenyl]benzamide | 4-(3,4-dihydro-2(1H)-isoquinolinylmethyl)-N-[4-(4-morpholinylsulfonyl)phenyl]benzamide | MLS000580544 | SMR000199432 | cid_1288978
Type:
Small organic molecule
Emp. Form.:
C27H29N3O4S
Mol. Mass.:
491.602
SMILES:
O=C(Nc1ccc(cc1)S(=O)(=O)N1CCOCC1)c1ccc(CN2CCc3ccccc3C2)cc1
Structure:
Search PDB for entries with ligand similarity: