Reaction Details Report a problem with these data
Target
Tumor necrosis factor
Ligand
BDBM54513
Substrate
n/a
Meas. Tech.
HTS dose response assay for identification of inhibitors of TNFa-specific NF-kB induction
IC50
2363±747 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:
BDBM54513
Synonyms:
3-methyl-5-[4-methyl-3-[4-(4-nitrophenyl)piperazin-1-yl]sulfonyl-phenyl]-1,2-oxazole | 3-methyl-5-[4-methyl-3-[4-(4-nitrophenyl)piperazin-1-yl]sulfonylphenyl]-1,2-oxazole | 3-methyl-5-[4-methyl-3-[4-(4-nitrophenyl)piperazino]sulfonyl-phenyl]isoxazole | 3-methyl-5-[4-methyl-3-[[4-(4-nitrophenyl)-1-piperazinyl]sulfonyl]phenyl]isoxazole | MLS001095049 | SMR000630356 | cid_24793715
Type:
Small organic molecule
Emp. Form.:
C21H22N4O5S
Mol. Mass.:
442.488
SMILES:
Cc1cc(on1)-c1ccc(C)c(c1)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O
Structure:
Search PDB for entries with ligand similarity: