Reaction Details Report a problem with these data
Target
Tumor necrosis factor
Ligand
BDBM52783
Substrate
n/a
Meas. Tech.
SAR analysis of inhibitors of TNFa specific NF-kB induction revised
IC50
37.3±n/a nM
Citation
 PubChem, PC SAR analysis of inhibitors of TNFa specific NF-kB induction revised 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:
BDBM52783
Synonyms:
2-[(4E)-4-(1-anilinoethylidene)-1-(1,3-benzothiazol-2-yl)-5-keto-2-pyrazolin-3-yl]acetic acid methyl ester | 2-[(4E)-4-(1-anilinoethylidene)-1-(1,3-benzothiazol-2-yl)-5-oxo-3-pyrazolyl]acetic acid methyl ester | MLS000779088 | SMR000415776 | cid_7584226 | methyl 2-[(4E)-1-(1,3-benzothiazol-2-yl)-5-oxidanylidene-4-(1-phenylazanylethylidene)pyrazol-3-yl]ethanoate | methyl 2-[(4E)-4-(1-anilinoethylidene)-1-(1,3-benzothiazol-2-yl)-5-oxopyrazol-3-yl]acetate | {1-Benzothiazol-2-yl-5-oxo-4-[1-phenylamino-eth-(E)-ylidene]-4,5-dihydro-1H-pyrazol-3-yl}-acetic acid methyl ester
Type:
Small organic molecule
Emp. Form.:
C21H18N4O3S
Mol. Mass.:
406.458
SMILES:
COC(=O)Cc1[nH]n(-c2nc3ccccc3s2)c(=O)c1C(C)=Nc1ccccc1 |w:22.25|
Structure:
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