Reaction Details Report a problem with these data
Target
Tumor necrosis factor
Ligand
BDBM135824
Substrate
n/a
Meas. Tech.
ELISA Assay
Temperature
298.15±n/a K
IC50
6±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:
BDBM135824
Synonyms:
US10085990, Example 127 | US10568888, Example 127 | US8853226, 127 | US9393245, 127 | US9833457, 127
Type:
Small organic molecule
Emp. Form.:
C25H25ClN4O5S
Mol. Mass.:
529.008
SMILES:
COc1cccc2c1ncc1c2n(C2CC[C@@H](CC2)NS(C)(=O)=O)c(=O)n(-c2cccc(Cl)c2)c1=O |r,wU:16.21,(-4,-5.01,;-2.67,-4.24,;-2.67,-2.7,;-4,-1.93,;-4,-.39,;-2.67,.38,;-1.33,-.39,;-1.33,-1.93,;,-2.7,;1.33,-1.93,;1.33,-.39,;,.38,;,1.92,;-1.33,2.69,;-1.33,4.23,;-2.67,5.01,;-4,4.23,;-4,2.69,;-2.67,1.92,;-5.33,5,;-6.67,4.23,;-8,5,;-7.44,2.9,;-5.9,2.9,;1.33,2.69,;1.33,4.23,;2.67,1.92,;4,2.69,;4,4.23,;5.33,5,;6.67,4.23,;6.67,2.69,;8,1.92,;5.33,1.92,;2.67,.38,;4,-.39,)|
Structure:
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