Reaction Details Report a problem with these data
Target
Toll-like receptor 9
Ligand
BDBM41590
Substrate
n/a
Meas. Tech.
Fluorescence-based cell-based high throughput dose response assay for inhibitors of TLR9-MyD88 binding
IC50
4061±n/a nM
Citation
 PubChem, PC Fluorescence-based cell-based high throughput dose response assay for inhibitors of TLR9-MyD88 binding PubChem Bioassay (2011)[AID] 
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:
BDBM41590
Synonyms:
6-methoxy-2-(4-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]sulfanyl-1-benzothiophene 1-oxide | 6-methoxy-2-(4-methoxyphenyl)-3-[[3-(trifluoromethyl)phenyl]thio]-1-benzothiophene 1-oxide | 6-methoxy-2-(4-methoxyphenyl)-3-[[3-(trifluoromethyl)phenyl]thio]benzothiophene 1-oxide | 6-methoxy-2-(4-methoxyphenyl)-3-{[3-(trifluoromethyl)phenyl]sulfanyl}-1H-1-benzothiophen-1-one | MLS000540587 | SMR000125845 | cid_5863319
Type:
Small organic molecule
Emp. Form.:
C23H17F3O3S2
Mol. Mass.:
462.504
SMILES:
COc1ccc(cc1)-c1c(Sc2cccc(c2)C(F)(F)F)c2ccc(OC)cc2s1=O
Structure:
Search PDB for entries with ligand similarity: