Reaction Details Report a problem with these data
Target
Tumor necrosis factor
Ligand
BDBM235370
Substrate
n/a
Meas. Tech.
ELISA Assay
Temperature
298.15±n/a K
IC50
0.9±n/a nM
Comments
extracted
Citation
 Mjalli, AM; Gaddam, B; Polisetti, DR; Kostura, MJ; Guzel, M Tricyclic compounds as modulators of TNF-alpha synthesis and as PDE4 inhibitors US Patent  US9393245 Publication Date 7/19/2016 
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:
BDBM235370
Synonyms:
US10085990, Example 100 | US9393245, 100
Type:
Small organic molecule
Emp. Form.:
C25H24ClN3O3
Mol. Mass.:
449.929
SMILES:
COc1cccc2c1ncc1c2n(C2CCC(C)CC2)c(=O)n(-c2ccc(Cl)cc2)c1=O |(-5.33,-5,;-4,-4.23,;-4,-2.69,;-5.33,-1.93,;-5.33,-.38,;-4,.38,;-2.67,-.38,;-2.67,-1.93,;-1.33,-2.69,;,-1.93,;,-.38,;-1.33,.38,;-1.33,1.93,;-2.67,2.69,;-2.67,4.23,;-4,5,;-5.33,4.23,;-6.67,5,;-5.33,2.69,;-4,1.93,;,2.69,;,4.23,;1.33,1.93,;2.67,2.69,;4,1.93,;5.33,2.69,;5.33,4.23,;6.67,5,;4,5,;2.67,4.23,;1.33,.38,;2.67,-.38,)|
Structure:
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