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Target
Tumor necrosis factor
Ligand
BDBM50048930
Substrate
n/a
Meas. Tech.
ChEMBL_212395 (CHEMBL873375)
IC50
>200000±n/a nM
Citation
 Cottam, HB; Shih, H; Tehrani, LR; Wasson, DB; Carson, DA Substituted xanthines, pteridinediones, and related compounds as potential antiinflammatory agents. Synthesis and biological evaluation of inhibitors of tumor necrosis factor alpha. J Med Chem 39:2-9 (1996) [PubMed]  Article 
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:
BDBM50048930
Synonyms:
4-(8-Bromo-3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-purin-1-ylmethyl)-benzoic acid methyl ester | CHEMBL170259
Type:
Small organic molecule
Emp. Form.:
C16H15BrN4O4
Mol. Mass.:
407.219
SMILES:
COC(=O)c1ccc(Cn2c(=O)n(C)c3nc(Br)n(C)c3c2=O)cc1
Structure:
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