Reaction Details Report a problem with these data
Target
Tumor necrosis factor
Ligand
BDBM54259
Substrate
n/a
Meas. Tech.
HTS dose response assay for identification of inhibitors of TNFa-specific NF-kB induction
IC50
1832±157.5 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:
BDBM54259
Synonyms:
(2Z,3Z)-2-[4-(4-ethoxyphenyl)-3H-1,3-thiazol-2-ylidene]-3-(3-nitro-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)propanenitrile | (2Z,3Z)-2-[4-(4-ethoxyphenyl)-3H-1,3-thiazol-2-ylidene]-3-(3-nitro-4-oxocyclohexa-2,5-dien-1-ylidene)propanenitrile | (2Z,3Z)-2-[4-(4-ethoxyphenyl)-3H-thiazol-2-ylidene]-3-(3-nitro-4-oxo-1-cyclohexa-2,5-dienylidene)propanenitrile | (2Z,3Z)-3-(4-keto-3-nitro-cyclohexa-2,5-dien-1-ylidene)-2-(4-p-phenetyl-4-thiazolin-2-ylidene)propionitrile | MLS000696955 | SMR000237723 | cid_15944671
Type:
Small organic molecule
Emp. Form.:
C20H15N3O4S
Mol. Mass.:
393.416
SMILES:
CCOc1ccc(cc1)-c1csc([nH+]1)C(=C\[c-]1ccc(=O)c(c1)[N+]([O-])=O)\C#N
Structure:
Search PDB for entries with ligand similarity: