Reaction Details Report a problem with these data
Target
Toll-like receptor 9
Ligand
BDBM50543143
Substrate
n/a
Meas. Tech.
ChEMBL_1988679 (CHEMBL4622226)
IC50
200±n/a nM
Citation
 Knoepfel, T; Nimsgern, P; Jacquier, S; Bourrel, M; Vangrevelinghe, E; Glatthar, R; Behnke, D; Alper, PB; Michellys, PY; Deane, J; Junt, T; Zipfel, G; Limonta, S; Hawtin, S; Andre, C; Boulay, T; Loetscher, P; Faller, M; Blank, J; Feifel, R; Betschart, C Target-Based Identification and Optimization of 5-Indazol-5-yl Pyridones as Toll-like Receptor 7 and 8 Antagonists Using a Biochemical TLR8 Antagonist Competition Assay. J Med Chem 63:8276-8295 (2020) [PubMed]  Article 
Target
Name:
Toll-like receptor 9
Synonyms:
CD_antigen: CD289 | TLR9 | TLR9_HUMAN
Type:
Enzyme
Mol. Mass.:
115889.91
Organism:
Homo sapiens (Human)
Description:
Q9NR96
Residue:
1032
Sequence:
MGFCRSALHPLSLLVQAIMLAMTLALGTLPAFLPCELQPHGLVNCNWLFLKSVPHFSMAAPRGNVTSLSLSSNRIHHLHDSDFAHLPSLRHLNLKWNCPPVGLSPMHFPCHMTIEPSTFLAVPTLEELNLSYNNIMTVPALPKSLISLSLSHTNILMLDSASLAGLHALRFLFMDGNCYYKNPCRQALEVAPGALLGLGNLTHLSLKYNNLTVVPRNLPSSLEYLLLSYNRIVKLAPEDLANLTALRVLDVGGNCRRCDHAPNPCMECPRHFPQLHPDTFSHLSRLEGLVLKDSSLSWLNASWFRGLGNLRVLDLSENFLYKCITKTKAFQGLTQLRKLNLSFNYQKRVSFAHLSLAPSFGSLVALKELDMHGIFFRSLDETTLRPLARLPMLQTLRLQMNFINQAQLGIFRAFPGLRYVDLSDNRISGASELTATMGEADGGEKVWLQPGDLAPAPVDTPSSEDFRPNCSTLNFTLDLSRNNLVTVQPEMFAQLSHLQCLRLSHNCISQAVNGSQFLPLTGLQVLDLSHNKLDLYHEHSFTELPRLEALDLSYNSQPFGMQGVGHNFSFVAHLRTLRHLSLAHNNIHSQVSQQLCSTSLRALDFSGNALGHMWAEGDLYLHFFQGLSGLIWLDLSQNRLHTLLPQTLRNLPKSLQVLRLRDNYLAFFKWWSLHFLPKLEVLDLAGNQLKALTNGSLPAGTRLRRLDVSCNSISFVAPGFFSKAKELRELNLSANALKTVDHSWFGPLASALQILDVSANPLHCACGAAFMDFLLEVQAAVPGLPSRVKCGSPGQLQGLSIFAQDLRLCLDEALSWDCFALSLLAVALGLGVPMLHHLCGWDLWYCFHLCLAWLPWRGRQSGRDEDALPYDAFVVFDKTQSAVADWVYNELRGQLEECRGRWALRLCLEERDWLPGKTLFENLWASVYGSRKTLFVLAHTDRVSGLLRASFLLAQQRLLEDRKDVVVLVILSPDGRRSRYVRLRQRLCRQSVLLWPHQPSGQRSFWAQLGMALTRDNHHFYNRNFCQGPTAE
  
Inhibitor
Name:
BDBM50543143
Synonyms:
CHEMBL4643502
Type:
Small organic molecule
Emp. Form.:
C20H24N4O
Mol. Mass.:
336.4308
SMILES:
Cc1cc(cc2cn(nc12)C1CCNCC1)-c1cc(C)c(=O)n(C)c1
Structure:
Search PDB for entries with ligand similarity: