Reaction Details Report a problem with these data
Target
Toll-like receptor 7
Ligand
BDBM427894
Substrate
n/a
Meas. Tech.
TLR7/8/9 Inhibition Reporter Assays
IC50
0.080±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  US10730877 Publication Date 8/4/2020 
Target
Name:
Toll-like receptor 7
Synonyms:
ORF Names:UNQ248/PRO285 | TLR7 | TLR7_HUMAN | Toll-like receptor 7 (TLR7)
Type:
Enzyme
Mol. Mass.:
120945.35
Organism:
Homo sapiens (Human)
Description:
Q9NYK1
Residue:
1049
Sequence:
MVFPMWTLKRQILILFNIILISKLLGARWFPKTLPCDVTLDVPKNHVIVDCTDKHLTEIPGGIPTNTTNLTLTINHIPDISPASFHRLDHLVEIDFRCNCVPIPLGSKNNMCIKRLQIKPRSFSGLTYLKSLYLDGNQLLEIPQGLPPSLQLLSLEANNIFSIRKENLTELANIEILYLGQNCYYRNPCYVSYSIEKDAFLNLTKLKVLSLKDNNVTAVPTVLPSTLTELYLYNNMIAKIQEDDFNNLNQLQILDLSGNCPRCYNAPFPCAPCKNNSPLQIPVNAFDALTELKVLRLHSNSLQHVPPRWFKNINKLQELDLSQNFLAKEIGDAKFLHFLPSLIQLDLSFNFELQVYRASMNLSQAFSSLKSLKILRIRGYVFKELKSFNLSPLHNLQNLEVLDLGTNFIKIANLSMFKQFKRLKVIDLSVNKISPSGDSSEVGFCSNARTSVESYEPQVLEQLHYFRYDKYARSCRFKNKEASFMSVNESCYKYGQTLDLSKNSIFFVKSSDFQHLSFLKCLNLSGNLISQTLNGSEFQPLAELRYLDFSNNRLDLLHSTAFEELHKLEVLDISSNSHYFQSEGITHMLNFTKNLKVLQKLMMNDNDISSSTSRTMESESLRTLEFRGNHLDVLWREGDNRYLQLFKNLLKLEELDISKNSLSFLPSGVFDGMPPNLKNLSLAKNGLKSFSWKKLQCLKNLETLDLSHNQLTTVPERLSNCSRSLKNLILKNNQIRSLTKYFLQDAFQLRYLDLSSNKIQMIQKTSFPENVLNNLKMLLLHHNRFLCTCDAVWFVWWVNHTEVTIPYLATDVTCVGPGAHKGQSVISLDLYTCELDLTNLILFSLSISVSLFLMVMMTASHLYFWDVWYIYHFCKAKIKGYQRLISPDCCYDAFIVYDTKDPAVTEWVLAELVAKLEDPREKHFNLCLEERDWLPGQPVLENLSQSIQLSKKTVFVMTDKYAKTENFKIAFYLSHQRLMDEKVDVIILIFLEKPFQKSKFLQLRKRLCGSSVLEWPTNPQAHPYFWQCLKNALATDNHVAYSQVFKETV
  
Inhibitor
Name:
BDBM427894
Synonyms:
US10544143, Example 328 | US10544143, Example 329 | US10730877, Example 329
Type:
Small organic molecule
Emp. Form.:
C28H36N6O2
Mol. Mass.:
488.6244
SMILES:
COc1cc(cn2ncnc12)-c1[nH]c2cc(C)c(nc2c1C(C)C)C1CCC(CC1)NC1CCOC1 |(10.05,1.98,;8.51,1.98,;7.74,.65,;6.2,.65,;5.43,-.69,;6.2,-2.02,;7.74,-2.02,;8.77,-3.16,;10.18,-2.54,;10.02,-1.01,;8.51,-.69,;3.89,-.69,;2.99,-1.93,;1.52,-1.46,;.19,-2.23,;-1.14,-1.46,;-2.48,-2.23,;-1.14,.08,;.19,.85,;1.52,.08,;2.99,.56,;3.39,2.05,;2.3,3.14,;4.87,2.45,;-2.48,.85,;-3.81,.08,;-5.14,.85,;-5.14,2.39,;-3.81,3.16,;-2.48,2.39,;-6.48,3.16,;-7.81,2.39,;-9.28,2.87,;-10.18,1.62,;-9.28,.38,;-7.81,.85,)|
Structure:
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