Reaction Details  Report a problem with these data
Target
Tumor necrosis factor
Ligand
BDBM511475
Substrate
n/a
Meas. Tech.
In Vitro Comparison of the Effect of Corticosteroids, a ROCK Kinase and Compounds of the Invention on the Inhibition of ROCK-1 Kinase, ROCK-2 Kinase, and TNF-alpha
IC50
227±n/a nM
Citation
 deLong, MA; Carlson, E; Kopczynski, C; Sturdivant, JM; Lichorowic, C Isoquinoline-steroid conjugates and uses thereof US Patent  US11059789 Publication Date 7/13/2021
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:
BDBM511475
Synonyms:
US11059789, Example 26 | US11691950, Example 26
Type:
Small organic molecule
Emp. Form.:
C46H52FN3O9
Mol. Mass.:
809.9182
SMILES:
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)CCC(=O)OCCc1ccc(cc1)C(CN)C(=O)Nc1ccc2cnccc2c1 |r,c:11,t:7|
Structure:
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