Reaction Details Report a problem with these data
Target
Tumor necrosis factor
Ligand
BDBM309961
Substrate
n/a
Meas. Tech.
Enzymatic Inhibitory Assay
IC50
20.1±n/a nM
Citation
 Xu, Z; Lou, Y Fused heterocyclic compound, preparation method therefor, pharmaceutical composition, and uses thereof US Patent  US9656996 Publication Date 5/23/2017 
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:
BDBM309961
Synonyms:
US9656996, Compound 16
Type:
Small organic molecule
Emp. Form.:
C28H41N7O4S2
Mol. Mass.:
603.8
SMILES:
COc1ncc(cc1NS(C)(=O)=O)-c1nc(N2CCOCC2)c2sc(C)c(CN3CCC(CC3)N(C)C(C)C)c2n1
Structure:
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