Reaction Details Report a problem with these data
Target
Tumor necrosis factor
Ligand
BDBM37726
Substrate
n/a
Meas. Tech.
HTS dose response assay for identification of inhibitors of TNFa-specific NF-kB induction
IC50
14851±1660 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:
BDBM37726
Synonyms:
1-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone | 1-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-4-methyl-5-thiazolyl]ethanone | 1-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-4-methyl-thiazol-5-yl]ethanone | 1-{2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone | MLS000045468 | SMR000027225 | cid_3241407
Type:
Small organic molecule
Emp. Form.:
C14H13N3O2S2
Mol. Mass.:
319.402
SMILES:
COc1ccc2nc(Nc3nc(C)c(s3)C(C)=O)sc2c1
Structure:
Search PDB for entries with ligand similarity: