Reaction Details Report a problem with these data
Target
Tumor necrosis factor
Ligand
BDBM422088
Substrate
n/a
Meas. Tech.
TNF-alpha inducing NF-kappaB reporter
EC50
<10.00±n/a nM
Citation
 Sun, F; Ding, CZ; Cai, Z; Qian, W; Hu, G; Li, J; Chen, S Benzimidazole-linked indole compound acting as novel divalent IAP antagonist US Patent  US10508103 Publication Date 12/17/2019 
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:
BDBM422088
Synonyms:
US10508103, Embodiment 3
Type:
Small organic molecule
Emp. Form.:
C43H59F2N9O4
Mol. Mass.:
803.9833
SMILES:
CC[C@H](NC(=O)[C@H](C)NC)C(=O)N1CCC[C@H]1Cc1c([nH]c2cc(F)ccc12)-c1nc2cc(F)ccc2n1C[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C |r|
Structure:
Search PDB for entries with ligand similarity: