Target
Tumor necrosis factor
Ligand
BDBM102789
Substrate
n/a
Meas. Tech.
Inhibition Assay
Ki
0.15±0.0 nM
IC50
417±0.0 nM
Citation
 Kozlowski, JAYu, WWong, MKKim, SHTong, LLavey, BJShankar, BBYang, DFeltz, RKosinski, AMZhou, GRizvi, RKDai, CFire, LGirijavallabhan, VLi, DPopovici-Muller, JRichard, JERosner, KESiddiqui, MAYang, L Compounds for the treatment of inflammatory disorders US Patent  US8541572 Publication Date 9/24/2013 
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:
BDBM102789
Synonyms:
US8541572, 2220
Type:
Small organic molecule
Emp. Form.:
C23H20N4O5
Mol. Mass.:
432.4287
SMILES:
COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3cc(ccc3C)C(N)=O)C(=O)c2c1 |r|
Structure:
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