Reaction Details Report a problem with these data
Target
Tumor necrosis factor
Ligand
BDBM54227
Substrate
n/a
Meas. Tech.
HTS dose response assay for identification of inhibitors of TNFa-specific NF-kB induction
IC50
1288.5±147.5 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:
BDBM54227
Synonyms:
3-(6-Bromo-3-ethyl-2-methyl-quinolin-4-ylsulfanyl)-propionitrile | 3-(6-bromanyl-3-ethyl-2-methyl-quinolin-4-yl)sulfanylpropanenitrile | 3-(6-bromo-3-ethyl-2-methylquinolin-4-yl)sulfanylpropanenitrile | 3-[(6-bromo-3-ethyl-2-methyl-4-quinolinyl)thio]propanenitrile | 3-[(6-bromo-3-ethyl-2-methyl-4-quinolyl)thio]propionitrile | MLS000591837 | SMR000218463 | cid_1858684
Type:
Small organic molecule
Emp. Form.:
C15H15BrN2S
Mol. Mass.:
335.262
SMILES:
CCc1c(C)nc2ccc(Br)cc2c1SCCC#N
Structure:
Search PDB for entries with ligand similarity: