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Compile Data Set for Download or QSAR

Found 2 hits of affinity data for UniProtKB/TrEMBL: Q9EQU3   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Toll-like receptor 9


(Mus musculus)
BDBM50543465
PNG
(CHEMBL4636498)
Show SMILES CNCCN1CCC(CC1)c1ccc2[nH]c(c(C(C)C)c2c1)-c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C27H37N3O2/c1-18(2)26-22-16-20(19-10-13-30(14-11-19)15-12-28-3)6-8-23(22)29-27(26)21-7-9-24(31-4)25(17-21)32-5/h6-9,16-19,28-29H,10-15H2,1-5H3
PDB

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KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 510n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Antagonist activity at TLR9 in mouse whole blood cells assessed as inhibition of ODN-2216 induced IL-6 production by ELISA


ACS Med Chem Lett 11: 1751-1758 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00264
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Mus musculus)
BDBM50543465
PNG
(CHEMBL4636498)
Show SMILES CNCCN1CCC(CC1)c1ccc2[nH]c(c(C(C)C)c2c1)-c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C27H37N3O2/c1-18(2)26-22-16-20(19-10-13-30(14-11-19)15-12-28-3)6-8-23(22)29-27(26)21-7-9-24(31-4)25(17-21)32-5/h6-9,16-19,28-29H,10-15H2,1-5H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 25n/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Invivo antagonist activity at TLR9 in po dosed C57BL/6 mouse assessed as reduction of CpG-ODN-1585-induced IL-6 production pretreated for 30 mins fol...


ACS Med Chem Lett 11: 1751-1758 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00264
More data for this
Ligand-Target Pair