Reaction Details Report a problem with these data
Target
Tumor necrosis factor
Ligand
BDBM59524
Substrate
n/a
Meas. Tech.
HTS dose response assay for identification of inhibitors of TNFa-specific NF-kB induction
IC50
5779±2068 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:
BDBM59524
Synonyms:
1-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-[(6-methyl-2-nitro-3-pyridyl)oxy]ethanone | 1-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]ethanone | 1-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-(6-methyl-2-nitro-pyridin-3-yl)oxy-ethanone | 1-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-(6-methyl-2-nitropyridin-3-yl)oxyethanone | MLS000389606 | SMR000255880 | cid_4354817
Type:
Small organic molecule
Emp. Form.:
C17H19N3O4
Mol. Mass.:
329.3505
SMILES:
Cc1cc(C(=O)COc2ccc(C)nc2[N+]([O-])=O)c(C)n1CC=C
Structure:
Search PDB for entries with ligand similarity: