Reaction Details Report a problem with these data
Target
Tumor necrosis factor
Ligand
BDBM54317
Substrate
n/a
Meas. Tech.
HTS dose response assay for identification of inhibitors of TNFa-specific NF-kB induction
IC50
6958±701.5 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:
BDBM54317
Synonyms:
2-(2,4-dimethoxyphenyl)-5-methyl-4-[(4-quinazolin-4-ylpiperazin-1-yl)methyl]-1,3-oxazole | 2-(2,4-dimethoxyphenyl)-5-methyl-4-[(4-quinazolin-4-ylpiperazino)methyl]oxazole | 2-(2,4-dimethoxyphenyl)-5-methyl-4-[[4-(4-quinazolinyl)-1-piperazinyl]methyl]oxazole | 4-(4-{[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}piperazin-1-yl)quinazoline | MLS000733460 | SMR000316943 | cid_16191569
Type:
Small organic molecule
Emp. Form.:
C25H27N5O3
Mol. Mass.:
445.5136
SMILES:
COc1ccc(-c2nc(CN3CCN(CC3)c3ncnc4ccccc34)c(C)o2)c(OC)c1
Structure:
Search PDB for entries with ligand similarity: