Reaction Details Report a problem with these data
Target
Tumor necrosis factor
Ligand
BDBM54195
Substrate
n/a
Meas. Tech.
HTS dose response assay for identification of inhibitors of TNFa-specific NF-kB induction
IC50
702.75±432 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:
BDBM54195
Synonyms:
2-[[2,5-dimethyl-1-(4-methylphenyl)-3-pyrrolyl]methylidene]-1-thiazolo[3,2-a]benzimidazolone | 2-[[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one | 2-[[2,5-dimethyl-1-(p-tolyl)pyrrol-3-yl]methylene]thiazolo[3,2-a]benzimidazol-1-one | 2-{[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]methylene}[1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one | MLS000533512 | SMR000140950 | cid_1363072
Type:
Small organic molecule
Emp. Form.:
C23H19N3OS
Mol. Mass.:
385.481
SMILES:
Cc1cc(C=c2sc3nc4ccccc4n3c2=O)c(C)n1-c1ccc(C)cc1
Structure:
Search PDB for entries with ligand similarity: