Reaction Details Report a problem with these data
Target
Tumor necrosis factor
Ligand
BDBM59546
Substrate
n/a
Meas. Tech.
HTS dose response assay for identification of inhibitors of TNFa-specific NF-kB induction
IC50
9679±2885 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:
BDBM59546
Synonyms:
3-[7-(2-chlorobenzyl)oxy-2-keto-4,8-dimethyl-chromen-3-yl]propionic acid | 3-[7-[(2-chlorophenyl)methoxy]-4,8-dimethyl-2-oxidanylidene-chromen-3-yl]propanoic acid | 3-[7-[(2-chlorophenyl)methoxy]-4,8-dimethyl-2-oxo-1-benzopyran-3-yl]propanoic acid | 3-[7-[(2-chlorophenyl)methoxy]-4,8-dimethyl-2-oxochromen-3-yl]propanoic acid | MLS001213288 | SMR000540578 | cid_1801772
Type:
Small organic molecule
Emp. Form.:
C21H19ClO5
Mol. Mass.:
386.826
SMILES:
Cc1c(OCc2ccccc2Cl)ccc2c(C)c(CCC(O)=O)c(=O)oc12
Structure:
Search PDB for entries with ligand similarity: