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Target
Tumor necrosis factor
Ligand
BDBM50081333
Substrate
n/a
Meas. Tech.
ChEMBL_212403 (CHEMBL816155)
IC50
9000±n/a nM
Citation
 Chao, Q; Deng, L; Shih, H; Leoni, LM; Genini, D; Carson, DA; Cottam, HB Substituted isoquinolines and quinazolines as potential antiinflammatory agents. Synthesis and biological evaluation of inhibitors of tumor necrosis factor alpha. J Med Chem 42:3860-73 (1999) [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:
BDBM50081333
Synonyms:
4-(6,7-Diacetoxy-1-oxo-1H-isoquinolin-2-yl)-butyric acid ethyl ester | CHEMBL126415
Type:
Small organic molecule
Emp. Form.:
C19H21NO7
Mol. Mass.:
375.3725
SMILES:
CCOC(=O)CCCn1ccc2cc(OC(C)=O)c(OC(C)=O)cc2c1=O
Structure:
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