Reaction Details Report a problem with these data
Target
Toll-like receptor 8
Ligand
BDBM428023
Substrate
n/a
Meas. Tech.
TLR7/8/9 Inhibition Reporter Assays
IC50
0.300±n/a nM
Citation
 Dyckman, AJ; Dodd, DS; Mussari, CP; Sherwood, TC; Whiteley, BK; Gilmore, JL; Kumar, SR; Pasunoori, L; Srinivas, PV; Duraisamy, SK; Hegde, S; Anumula, RK 4-azaindole compounds US Patent  US11053244 Publication Date 7/6/2021 
Target
Name:
Toll-like receptor 8
Synonyms:
CD_antigen: CD288 | TLR8 | TLR8_HUMAN | TRL8
Type:
Enzyme
Mol. Mass.:
119828.77
Organism:
Homo sapiens (Human)
Description:
Q9NR97
Residue:
1041
Sequence:
MENMFLQSSMLTCIFLLISGSCELCAEENFSRSYPCDEKKQNDSVIAECSNRRLQEVPQTVGKYVTELDLSDNFITHITNESFQGLQNLTKINLNHNPNVQHQNGNPGIQSNGLNITDGAFLNLKNLRELLLEDNQLPQIPSGLPESLTELSLIQNNIYNITKEGISRLINLKNLYLAWNCYFNKVCEKTNIEDGVFETLTNLELLSLSFNSLSHVPPKLPSSLRKLFLSNTQIKYISEEDFKGLINLTLLDLSGNCPRCFNAPFPCVPCDGGASINIDRFAFQNLTQLRYLNLSSTSLRKINAAWFKNMPHLKVLDLEFNYLVGEIASGAFLTMLPRLEILDLSFNYIKGSYPQHINISRNFSKLLSLRALHLRGYVFQELREDDFQPLMQLPNLSTINLGINFIKQIDFKLFQNFSNLEIIYLSENRISPLVKDTRQSYANSSSFQRHIRKRRSTDFEFDPHSNFYHFTRPLIKPQCAAYGKALDLSLNSIFFIGPNQFENLPDIACLNLSANSNAQVLSGTEFSAIPHVKYLDLTNNRLDFDNASALTELSDLEVLDLSYNSHYFRIAGVTHHLEFIQNFTNLKVLNLSHNNIYTLTDKYNLESKSLVELVFSGNRLDILWNDDDNRYISIFKGLKNLTRLDLSLNRLKHIPNEAFLNLPASLTELHINDNMLKFFNWTLLQQFPRLELLDLRGNKLLFLTDSLSDFTSSLRTLLLSHNRISHLPSGFLSEVSSLKHLDLSSNLLKTINKSALETKTTTKLSMLELHGNPFECTCDIGDFRRWMDEHLNVKIPRLVDVICASPGDQRGKSIVSLELTTCVSDVTAVILFFFTFFITTMVMLAALAHHLFYWDVWFIYNVCLAKVKGYRSLSTSQTFYDAYISYDTKDASVTDWVINELRYHLEESRDKNVLLCLEERDWDPGLAIIDNLMQSINQSKKTVFVLTKKYAKSWNFKTAFYLALQRLMDENMDVIIFILLEPVLQHSQYLRLRQRICKSSILQWPDNPKAEGLFWQTLRNVVLTENDSRYNNMYVDSIKQY
  
Inhibitor
Name:
BDBM428023
Synonyms:
US10544143, Example 457 | US10544143, Example 458 | US10730877, Example 458 | US11053244, Example 458
Type:
Small organic molecule
Emp. Form.:
C29H37N7O2S
Mol. Mass.:
547.715
SMILES:
CC(C)c1c([nH]c2ccc(nc12)C1CCC(CC1)N(CCS(C)(=O)=O)CC#N)-c1cn2ncnc2c(C)c1C |(2.45,1.69,;3.54,.6,;5.02,1,;3.14,-.89,;4.04,-2.13,;3.14,-3.38,;1.67,-2.9,;.34,-3.67,;-.99,-2.9,;-.99,-1.36,;.34,-.59,;1.67,-1.36,;-2.33,-.59,;-2.33,.95,;-3.66,1.72,;-5,.95,;-5,-.59,;-3.66,-1.36,;-6.33,1.72,;-7.66,.95,;-7.66,-.59,;-9,-1.36,;-9.77,-.03,;-8.23,-2.69,;-10.33,-2.13,;-6.33,3.26,;-5,4.03,;-3.66,4.8,;5.58,-2.13,;6.35,-.8,;7.89,-.8,;8.92,.35,;10.33,-.28,;10.17,-1.81,;8.66,-2.13,;7.89,-3.47,;8.66,-4.8,;6.35,-3.47,;5.58,-4.8,)|
Structure:
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