Reaction Details Report a problem with these data
Target
Tumor necrosis factor
Ligand
BDBM407688
Substrate
n/a
Meas. Tech.
IRAK4 Monocyte TNFalpha Cell Based Assay
EC50
9.00±n/a nM
Citation
 Bacon, EM; Brizgys, G; Chin, E; Chou, C; Cottell, JJ; Link, JO; Taylor, JG; Tse, WC; Wright, NE; Yang, Z; Zhang, JR; Zipfel, SM Pyrrolo[1,2-b]pyridazine derivatives US Patent  US10336762 Publication Date 7/2/2019 
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:
BDBM407688
Synonyms:
6-(3-cyanopyrrolo[1,2- b]pyridazin-7-yl)-N-((R)- 2-fluoro-3-hydroxy-3- methylbutyl)-4-(((1r,4R)- 4-(oxazol-5-yl)cyclohexyl) amino)nicotinamide | US10336762, Compound 630
Type:
Small organic molecule
Emp. Form.:
C28H30FN7O3
Mol. Mass.:
531.5813
SMILES:
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CC[C@@H](CC1)c1cnco1)-c1ccc2cc(cnn12)C#N |r,wU:17.17,4.4,wD:20.24,(-9.7,-1.54,;-8.37,-.77,;-8.37,.77,;-9.7,,;-7.03,-1.54,;-7.03,-3.08,;-5.7,-.77,;-4.36,-1.54,;-3.03,-.77,;-3.03,.77,;-1.7,-1.54,;-1.7,-3.08,;-.36,-3.85,;.97,-3.08,;.97,-1.54,;-.36,-.77,;-.36,.77,;.97,1.54,;.97,3.08,;2.3,3.85,;3.64,3.08,;3.64,1.54,;2.3,.77,;4.97,3.85,;6.38,3.22,;7.41,4.37,;6.64,5.7,;5.13,5.38,;2.3,-3.85,;2.47,-5.38,;3.97,-5.7,;4.74,-4.37,;6.25,-4.05,;6.72,-2.58,;5.69,-1.44,;4.19,-1.76,;3.71,-3.22,;8.21,-2.18,;9.7,-1.79,)|
Structure:
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