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Compile Data Set for Download or QSAR

Found 6443 hits of affinity data for UniProtKB/TrEMBL: Q9NR96   
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


(Homo sapiens (Human))
BDBM50033123
PNG
(CHEMBL3356618)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1nc2N(CCCN3CCCC3)CCc2c(C)n1
Show InChI InChI=1S/C25H36N6/c1-20-23-10-15-31(14-5-13-29-11-3-4-12-29)25(23)27-24(26-20)21-6-8-22(9-7-21)30-18-16-28(2)17-19-30/h6-9H,3-5,10-19H2,1-2H3
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n/an/a 3.5n/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human TLR9 transfected in HEK293 cells after 6 hrs by NF-kappaB luciferase reporter assay


ACS Med Chem Lett 5: 1235-9 (2014)


Article DOI: 10.1021/ml5003184
BindingDB Entry DOI: 10.7270/Q2M32XBN
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM50033119
PNG
(CHEMBL3357062)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ncc2CCN(CCCN3CCCC3)c2n1
Show InChI InChI=1S/C24H34N6/c1-27-15-17-29(18-16-27)22-7-5-20(6-8-22)23-25-19-21-9-14-30(24(21)26-23)13-4-12-28-10-2-3-11-28/h5-8,19H,2-4,9-18H2,1H3
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n/an/a 3.90n/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human TLR9 transfected in HEK293 cells after 6 hrs by NF-kappaB luciferase reporter assay


ACS Med Chem Lett 5: 1235-9 (2014)


Article DOI: 10.1021/ml5003184
BindingDB Entry DOI: 10.7270/Q2M32XBN
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM50033101
PNG
(CHEMBL2144205)
Show SMILES COc1cc2nc(nc(NCCN3CCOCC3)c2cc1OC)-c1ccc(cc1)N1CCN(C)CC1
Show InChI InChI=1S/C27H36N6O3/c1-31-10-12-33(13-11-31)21-6-4-20(5-7-21)26-29-23-19-25(35-3)24(34-2)18-22(23)27(30-26)28-8-9-32-14-16-36-17-15-32/h4-7,18-19H,8-17H2,1-3H3,(H,28,29,30)
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n/an/a 4.60n/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human TLR9 transfected in HEK293 cells after 6 hrs by NF-kappaB luciferase reporter assay


ACS Med Chem Lett 5: 1235-9 (2014)


Article DOI: 10.1021/ml5003184
BindingDB Entry DOI: 10.7270/Q2M32XBN
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM50033108
PNG
(CHEMBL3357064)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ncc2CCN(CCCN3CCOCC3)c2n1
Show InChI InChI=1S/C24H34N6O/c1-27-11-13-29(14-12-27)22-5-3-20(4-6-22)23-25-19-21-7-10-30(24(21)26-23)9-2-8-28-15-17-31-18-16-28/h3-6,19H,2,7-18H2,1H3
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n/an/a 8.60n/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human TLR9 transfected in HEK293 cells after 6 hrs by NF-kappaB luciferase reporter assay


ACS Med Chem Lett 5: 1235-9 (2014)


Article DOI: 10.1021/ml5003184
BindingDB Entry DOI: 10.7270/Q2M32XBN
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM50033124
PNG
(CHEMBL3356617)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1nc2N(CCN3CCCC3)CCc2c(C)n1
Show InChI InChI=1S/C24H34N6/c1-19-22-9-12-30(18-15-28-10-3-4-11-28)24(22)26-23(25-19)20-5-7-21(8-6-20)29-16-13-27(2)14-17-29/h5-8H,3-4,9-18H2,1-2H3
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n/an/a 11n/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human TLR9 transfected in HEK293 cells after 6 hrs by NF-kappaB luciferase reporter assay


ACS Med Chem Lett 5: 1235-9 (2014)


Article DOI: 10.1021/ml5003184
BindingDB Entry DOI: 10.7270/Q2M32XBN
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM50033107
PNG
(CHEMBL3357065)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ncc2CCN(CCCCN3CCOCC3)c2n1
Show InChI InChI=1S/C25H36N6O/c1-28-12-14-30(15-13-28)23-6-4-21(5-7-23)24-26-20-22-8-11-31(25(22)27-24)10-3-2-9-29-16-18-32-19-17-29/h4-7,20H,2-3,8-19H2,1H3
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n/an/a 11n/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human TLR9 transfected in HEK293 cells after 6 hrs by NF-kappaB luciferase reporter assay


ACS Med Chem Lett 5: 1235-9 (2014)


Article DOI: 10.1021/ml5003184
BindingDB Entry DOI: 10.7270/Q2M32XBN
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM50033102
PNG
(CHEMBL3357070)
Show SMILES OCCN1CCN(CC1)c1ccc(cc1)-c1ncc2CCN(CCCN3CCOCC3)c2n1
Show InChI InChI=1S/C25H36N6O2/c32-17-14-29-10-12-30(13-11-29)23-4-2-21(3-5-23)24-26-20-22-6-9-31(25(22)27-24)8-1-7-28-15-18-33-19-16-28/h2-5,20,32H,1,6-19H2
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n/an/a 13n/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human TLR9 transfected in HEK293 cells after 6 hrs by NF-kappaB luciferase reporter assay


ACS Med Chem Lett 5: 1235-9 (2014)


Article DOI: 10.1021/ml5003184
BindingDB Entry DOI: 10.7270/Q2M32XBN
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM50252308
PNG
(CHEMBL4065452)
Show SMILES C(COc1ccc(cc1)-c1nc2ccc(OCCCN3CCCC3)cc2o1)CN1CCCC1
Show InChI InChI=1S/C27H35N3O3/c1-2-14-29(13-1)17-5-19-31-23-9-7-22(8-10-23)27-28-25-12-11-24(21-26(25)33-27)32-20-6-18-30-15-3-4-16-30/h7-12,21H,1-6,13-20H2
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n/an/a 15n/an/an/an/an/an/a



CSIR-Indian Institute of Chemical Biology

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length Anopheles gambiae AChE1 expressed in baculovirus-infected Sf9 insect cells using acetylthiocholine iodide as su...


Eur J Med Chem 134: 334-347 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.086
BindingDB Entry DOI: 10.7270/Q2057JCJ
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM50033126
PNG
(CHEMBL3356616)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1nc2N(CCCN3CCOCC3)CCc2c(C)n1
Show InChI InChI=1S/C25H36N6O/c1-20-23-8-11-31(10-3-9-29-16-18-32-19-17-29)25(23)27-24(26-20)21-4-6-22(7-5-21)30-14-12-28(2)13-15-30/h4-7H,3,8-19H2,1-2H3
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n/an/a 16n/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human TLR9 transfected in HEK293 cells after 6 hrs by NF-kappaB luciferase reporter assay


ACS Med Chem Lett 5: 1235-9 (2014)


Article DOI: 10.1021/ml5003184
BindingDB Entry DOI: 10.7270/Q2M32XBN
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM444287
PNG
(US10660877, Example 877)
Show SMILES CCc1c([nH]c2ccc(cc12)C1CCN(CC(O)CN(C)C(C)C)CC1)-c1ccnc(C)c1
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n/an/a 16n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
HEK-Blue-cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducible...


US Patent US10660877 (2020)

More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM444220
PNG
(US10660877, Example 810)
Show SMILES CC(C)CN1CCC(CC1)N1CCC(CC1)c1ccc2[nH]c(c(C)c2c1)-c1ccnc(C)c1
Show InChI InChI=1S/C29H40N4/c1-20(2)19-32-13-10-26(11-14-32)33-15-8-23(9-16-33)24-5-6-28-27(18-24)22(4)29(31-28)25-7-12-30-21(3)17-25/h5-7,12,17-18,20,23,26,31H,8-11,13-16,19H2,1-4H3
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n/an/a 19n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
HEK-Blue-cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducible...


US Patent US10660877 (2020)

More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM50467784
PNG
(CHEMBL4278635)
Show SMILES COc1cc2c(nc(nc2cc1OCCCN1CCCC1)N(C)C)N1CCN(CC1)C(=O)c1ccccc1
Show InChI InChI=1S/C29H38N6O3/c1-32(2)29-30-24-21-26(38-19-9-14-33-12-7-8-13-33)25(37-3)20-23(24)27(31-29)34-15-17-35(18-16-34)28(36)22-10-5-4-6-11-22/h4-6,10-11,20-21H,7-9,12-19H2,1-3H3
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n/an/a 20n/an/an/an/an/an/a



CSIR-Indian Institute of Chemical Biology

Curated by ChEMBL


Assay Description
Antagonist activity at human TLR9 expressed in HEK-Blue cells assessed as reduction in CpGB-induced NF-kappaB levels after 24 hrs by spectrophotometr...


Eur J Med Chem 159: 187-205 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.058
BindingDB Entry DOI: 10.7270/Q2C2504D
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM50467770
PNG
(CHEMBL4279467)
Show SMILES COc1cc2c(nc(nc2cc1OCCCN1CCCC1)N(C)C)N1CCNCC1
Show InChI InChI=1S/C22H34N6O2/c1-26(2)22-24-18-16-20(30-14-6-11-27-9-4-5-10-27)19(29-3)15-17(18)21(25-22)28-12-7-23-8-13-28/h15-16,23H,4-14H2,1-3H3
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n/an/a 20n/an/an/an/an/an/a



CSIR-Indian Institute of Chemical Biology

Curated by ChEMBL


Assay Description
Antagonist activity at human TLR9 expressed in HEK-Blue cells assessed as reduction in CpGB-induced NF-kappaB levels after 24 hrs by spectrophotometr...


Eur J Med Chem 159: 187-205 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.058
BindingDB Entry DOI: 10.7270/Q2C2504D
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM50467773
PNG
(CHEMBL4282131)
Show SMILES COc1cc2c(nc(nc2cc1OCCCN1CCCC1)N1CCN(C)CC1)N1CCN(CC1)C1CCCC1
Show InChI InChI=1S/C30H47N7O2/c1-33-13-15-37(16-14-33)30-31-26-23-28(39-21-7-12-34-10-5-6-11-34)27(38-2)22-25(26)29(32-30)36-19-17-35(18-20-36)24-8-3-4-9-24/h22-24H,3-21H2,1-2H3
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n/an/a 20n/an/an/an/an/an/a



CSIR-Indian Institute of Chemical Biology

Curated by ChEMBL


Assay Description
Antagonist activity at human TLR9 expressed in HEK-Blue cells assessed as reduction in CpGB-induced NF-kappaB levels after 24 hrs by spectrophotometr...


Eur J Med Chem 159: 187-205 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.058
BindingDB Entry DOI: 10.7270/Q2C2504D
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM50274714
PNG
(2-(4-(4-methylpiperazin-1-yl)phenyl)-N-(2-morpholi...)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1nc(NCCN2CCOCC2)c2ccccc2n1
Show InChI InChI=1S/C25H32N6O/c1-29-12-14-31(15-13-29)21-8-6-20(7-9-21)24-27-23-5-3-2-4-22(23)25(28-24)26-10-11-30-16-18-32-19-17-30/h2-9H,10-19H2,1H3,(H,26,27,28)
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n/an/a 20n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human TLR9 expressed in HEK293 cells assessed as blockade of CpG oligonucleotide-induced immune response by NFkappaB luciferas...


J Med Chem 51: 6621-6 (2008)


Article DOI: 10.1021/jm800957k
BindingDB Entry DOI: 10.7270/Q2K35TG1
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM50033132
PNG
(CHEMBL3356615)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1nc2N(CCN3CCOCC3)CCc2c(C)n1
Show InChI InChI=1S/C24H34N6O/c1-19-22-7-8-30(14-11-28-15-17-31-18-16-28)24(22)26-23(25-19)20-3-5-21(6-4-20)29-12-9-27(2)10-13-29/h3-6H,7-18H2,1-2H3
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n/an/a 20n/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human TLR9 transfected in HEK293 cells after 6 hrs by NF-kappaB luciferase reporter assay


ACS Med Chem Lett 5: 1235-9 (2014)


Article DOI: 10.1021/ml5003184
BindingDB Entry DOI: 10.7270/Q2M32XBN
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM50467766
PNG
(CHEMBL4276673)
Show SMILES COc1cc2c(nc(nc2cc1OCCCN1CCCC1)N(C)C)N1CCN(CC1)C1CCCC1
Show InChI InChI=1S/C27H42N6O2/c1-30(2)27-28-23-20-25(35-18-8-13-31-11-6-7-12-31)24(34-3)19-22(23)26(29-27)33-16-14-32(15-17-33)21-9-4-5-10-21/h19-21H,4-18H2,1-3H3
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n/an/a 20n/an/an/an/an/an/a



CSIR-Indian Institute of Chemical Biology

Curated by ChEMBL


Assay Description
Antagonist activity at human TLR9 expressed in HEK-Blue cells assessed as reduction in CpGB-induced NF-kappaB levels after 24 hrs by spectrophotometr...


Eur J Med Chem 159: 187-205 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.058
BindingDB Entry DOI: 10.7270/Q2C2504D
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM444221
PNG
(US10660877, Example 811)
Show SMILES CC(C)N1CCC(CC1)N1CCC(CC1)c1ccc2[nH]c(c(C)c2c1)-c1ccnc(C)c1
Show InChI InChI=1S/C28H38N4/c1-19(2)31-15-10-25(11-16-31)32-13-8-22(9-14-32)23-5-6-27-26(18-23)21(4)28(30-27)24-7-12-29-20(3)17-24/h5-7,12,17-19,22,25,30H,8-11,13-16H2,1-4H3
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n/an/a 23n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
HEK-Blue-cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducible...


US Patent US10660877 (2020)

More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM235724
PNG
(US10117875, Example 67 | US9359361, 67)
Show SMILES C(CN1CCOCC1)Nc1nc2nc(nc(NCCN3CCOCC3)c2nc1NCCN1CCOCC1)-c1ccccc1
Show InChI InChI=1S/C30H44N10O3/c1-2-4-24(5-3-1)26-35-27(31-6-9-38-12-18-41-19-13-38)25-28(36-26)37-30(33-8-11-40-16-22-43-23-17-40)29(34-25)32-7-10-39-14-20-42-21-15-39/h1-5H,6-23H2,(H,32,34)(H2,31,33,35,36,37)
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n/an/a 25n/an/an/an/an/an/a



JANUS BIOTHERAPEUTICS, INC.

US Patent


Assay Description
HEK-Blue-hTLR9 cells were obtained from InvivoGen Inc. and used to determine test compound antagonism of human TLR9 (hTLR9) driven responses. HEK-Blu...


US Patent US10117875 (2018)


BindingDB Entry DOI: 10.7270/Q2MK6FXT
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM235724
PNG
(US10117875, Example 67 | US9359361, 67)
Show SMILES C(CN1CCOCC1)Nc1nc2nc(nc(NCCN3CCOCC3)c2nc1NCCN1CCOCC1)-c1ccccc1
Show InChI InChI=1S/C30H44N10O3/c1-2-4-24(5-3-1)26-35-27(31-6-9-38-12-18-41-19-13-38)25-28(36-26)37-30(33-8-11-40-16-22-43-23-17-40)29(34-25)32-7-10-39-14-20-42-21-15-39/h1-5H,6-23H2,(H,32,34)(H2,31,33,35,36,37)
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n/an/a 25n/an/an/an/an/a37



JANUS BIOTHERAPEUTICS, INC.

US Patent


Assay Description
Day 1: A cell suspension of HEK-Blue™-hTLR9 cells at ~450,000 cells per ml in test medium which contained 5% (v/v) heat inactivated FBS was pre...


US Patent US9359361 (2016)


BindingDB Entry DOI: 10.7270/Q2GH9GT3
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM50033140
PNG
(CHEMBL3356611)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1nc2CCCCc2c(NCCN2CCOCC2)n1
Show InChI InChI=1S/C25H36N6O/c1-29-12-14-31(15-13-29)21-8-6-20(7-9-21)24-27-23-5-3-2-4-22(23)25(28-24)26-10-11-30-16-18-32-19-17-30/h6-9H,2-5,10-19H2,1H3,(H,26,27,28)
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n/an/a 27n/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human TLR9 transfected in HEK293 cells after 6 hrs by NF-kappaB luciferase reporter assay


ACS Med Chem Lett 5: 1235-9 (2014)


Article DOI: 10.1021/ml5003184
BindingDB Entry DOI: 10.7270/Q2M32XBN
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM50033103
PNG
(CHEMBL3357069)
Show SMILES COCCN1CCN(CC1)c1ccc(cc1)-c1ncc2CCN(CCCN3CCOCC3)c2n1
Show InChI InChI=1S/C26H38N6O2/c1-33-18-15-30-11-13-31(14-12-30)24-5-3-22(4-6-24)25-27-21-23-7-10-32(26(23)28-25)9-2-8-29-16-19-34-20-17-29/h3-6,21H,2,7-20H2,1H3
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n/an/a 28n/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human TLR9 transfected in HEK293 cells after 6 hrs by NF-kappaB luciferase reporter assay


ACS Med Chem Lett 5: 1235-9 (2014)


Article DOI: 10.1021/ml5003184
BindingDB Entry DOI: 10.7270/Q2M32XBN
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM50274715
PNG
(CHEMBL515364 | N-(2-(dimethylamino)ethyl)-2-(4-(4-...)
Show SMILES CN(C)CCNc1nc(nc2ccccc12)-c1ccc(cc1)N1CCN(C)CC1
Show InChI InChI=1S/C23H30N6/c1-27(2)13-12-24-23-20-6-4-5-7-21(20)25-22(26-23)18-8-10-19(11-9-18)29-16-14-28(3)15-17-29/h4-11H,12-17H2,1-3H3,(H,24,25,26)
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n/an/a 30n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human TLR9 expressed in HEK293 cells assessed as blockade of CpG oligonucleotide-induced immune response by NFkappaB luciferas...


J Med Chem 51: 6621-6 (2008)


Article DOI: 10.1021/jm800957k
BindingDB Entry DOI: 10.7270/Q2K35TG1
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM50467774
PNG
(CHEMBL4286933)
Show SMILES COc1cc2c(nc(NCCCN3CCN(C)CC3)nc2cc1OCCCN1CCCC1)N1CCN(C)CC1
Show InChI InChI=1S/C29H48N8O2/c1-33-13-17-36(18-14-33)11-6-8-30-29-31-25-23-27(39-21-7-12-35-9-4-5-10-35)26(38-3)22-24(25)28(32-29)37-19-15-34(2)16-20-37/h22-23H,4-21H2,1-3H3,(H,30,31,32)
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n/an/a 30n/an/an/an/an/an/a



CSIR-Indian Institute of Chemical Biology

Curated by ChEMBL


Assay Description
Antagonist activity at human TLR9 expressed in HEK-Blue cells assessed as reduction in CpGB-induced NF-kappaB levels after 24 hrs by spectrophotometr...


Eur J Med Chem 159: 187-205 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.058
BindingDB Entry DOI: 10.7270/Q2C2504D
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM50467794
PNG
(CHEMBL4290314)
Show SMILES COc1cc2c(nc(nc2cc1OCCCN1CCCC1)N(C)C)N1CCN(CC1)C(=O)c1ccc(CN)cc1
Show InChI InChI=1S/C30H41N7O3/c1-34(2)30-32-25-20-27(40-18-6-13-35-11-4-5-12-35)26(39-3)19-24(25)28(33-30)36-14-16-37(17-15-36)29(38)23-9-7-22(21-31)8-10-23/h7-10,19-20H,4-6,11-18,21,31H2,1-3H3
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n/an/a 30n/an/an/an/an/an/a



CSIR-Indian Institute of Chemical Biology

Curated by ChEMBL


Assay Description
Antagonist activity at human TLR9 expressed in HEK-Blue cells assessed as reduction in CpGB-induced NF-kappaB levels after 24 hrs by spectrophotometr...


Eur J Med Chem 159: 187-205 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.058
BindingDB Entry DOI: 10.7270/Q2C2504D
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM50467786
PNG
(CHEMBL4281194)
Show SMILES COc1cc2c(nc(nc2cc1OCCCN1CCCC1)N(C)C)N1CCN(CC2CCCC2)CC1
Show InChI InChI=1S/C28H44N6O2/c1-31(2)28-29-24-20-26(36-18-8-13-32-11-6-7-12-32)25(35-3)19-23(24)27(30-28)34-16-14-33(15-17-34)21-22-9-4-5-10-22/h19-20,22H,4-18,21H2,1-3H3
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n/an/a 30n/an/an/an/an/an/a



CSIR-Indian Institute of Chemical Biology

Curated by ChEMBL


Assay Description
Antagonist activity at human TLR9 expressed in HEK-Blue cells assessed as reduction in CpGB-induced NF-kappaB levels after 24 hrs by spectrophotometr...


Eur J Med Chem 159: 187-205 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.058
BindingDB Entry DOI: 10.7270/Q2C2504D
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM50467775
PNG
(CHEMBL4278682)
Show SMILES COc1cc2c(nc(NCCCN3CCN(C)CC3)nc2cc1OCCCN1CCCC1)N1CCN(CC1)C1CCCC1
Show InChI InChI=1S/C33H54N8O2/c1-37-16-18-39(19-17-37)14-7-11-34-33-35-29-26-31(43-24-8-15-38-12-5-6-13-38)30(42-2)25-28(29)32(36-33)41-22-20-40(21-23-41)27-9-3-4-10-27/h25-27H,3-24H2,1-2H3,(H,34,35,36)
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n/an/a 30n/an/an/an/an/an/a



CSIR-Indian Institute of Chemical Biology

Curated by ChEMBL


Assay Description
Antagonist activity at human TLR9 expressed in HEK-Blue cells assessed as reduction in CpGB-induced NF-kappaB levels after 24 hrs by spectrophotometr...


Eur J Med Chem 159: 187-205 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.058
BindingDB Entry DOI: 10.7270/Q2C2504D
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM50467782
PNG
(CHEMBL4279648)
Show SMILES COc1cc2c(nc(nc2cc1OCCCN1CCCC1)N(C)C)N1CCN(CC1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C29H37FN6O3/c1-33(2)29-31-24-20-26(39-18-6-13-34-11-4-5-12-34)25(38-3)19-23(24)27(32-29)35-14-16-36(17-15-35)28(37)21-7-9-22(30)10-8-21/h7-10,19-20H,4-6,11-18H2,1-3H3
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n/an/a 30n/an/an/an/an/an/a



CSIR-Indian Institute of Chemical Biology

Curated by ChEMBL


Assay Description
Antagonist activity at human TLR9 expressed in HEK-Blue cells assessed as reduction in CpGB-induced NF-kappaB levels after 24 hrs by spectrophotometr...


Eur J Med Chem 159: 187-205 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.058
BindingDB Entry DOI: 10.7270/Q2C2504D
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM443949
PNG
(US10660877, Example 537)
Show SMILES Cc1cc(cc(C)n1)-c1[nH]c2ccc(cc2c1CC(F)F)C1CCN(Cc2c[nH]cn2)CC1
Show InChI InChI=1S/C26H29F2N5/c1-16-9-20(10-17(2)31-16)26-23(12-25(27)28)22-11-19(3-4-24(22)32-26)18-5-7-33(8-6-18)14-21-13-29-15-30-21/h3-4,9-11,13,15,18,25,32H,5-8,12,14H2,1-2H3,(H,29,30)
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n/an/a 32n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
HEK-Blue-cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducible...


US Patent US10660877 (2020)

More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM50033135
PNG
(CHEMBL3356614)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1nc(C)c(C)c(NCCN2CCOCC2)n1
Show InChI InChI=1S/C23H34N6O/c1-18-19(2)25-23(26-22(18)24-8-9-28-14-16-30-17-15-28)20-4-6-21(7-5-20)29-12-10-27(3)11-13-29/h4-7H,8-17H2,1-3H3,(H,24,25,26)
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n/an/a 35n/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human TLR9 transfected in HEK293 cells after 6 hrs by NF-kappaB luciferase reporter assay


ACS Med Chem Lett 5: 1235-9 (2014)


Article DOI: 10.1021/ml5003184
BindingDB Entry DOI: 10.7270/Q2M32XBN
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM444222
PNG
(US10660877, Example 812)
Show SMILES CC(C)N1CCC(CC1)N1CCC(CC1)c1ccc2[nH]c(c(C)c2c1)-c1ccnc(C)c1C
Show InChI InChI=1S/C29H40N4/c1-19(2)32-16-11-25(12-17-32)33-14-9-23(10-15-33)24-6-7-28-27(18-24)21(4)29(31-28)26-8-13-30-22(5)20(26)3/h6-8,13,18-19,23,25,31H,9-12,14-17H2,1-5H3
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n/an/a 35n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
HEK-Blue-cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducible...


US Patent US10660877 (2020)

More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM427567
PNG
(2-(3,4-dimethoxyphenyl)-5-(1′-isobutyl-[1,4&...)
Show SMILES COc1ccc(cc1OC)-c1[nH]c2ccc(nc2c1C)C1CCN(CC1)C1CCN(CC(C)C)CC1
Show InChI InChI=1S/C30H42N4O2/c1-20(2)19-33-14-12-24(13-15-33)34-16-10-22(11-17-34)25-7-8-26-30(31-25)21(3)29(32-26)23-6-9-27(35-4)28(18-23)36-5/h6-9,18,20,22,24,32H,10-17,19H2,1-5H3
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n/an/a 37n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
HEK-Blue-cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducible...


US Patent US10730877 (2020)

More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM427567
PNG
(2-(3,4-dimethoxyphenyl)-5-(1′-isobutyl-[1,4&...)
Show SMILES COc1ccc(cc1OC)-c1[nH]c2ccc(nc2c1C)C1CCN(CC1)C1CCN(CC(C)C)CC1
Show InChI InChI=1S/C30H42N4O2/c1-20(2)19-33-14-12-24(13-15-33)34-16-10-22(11-17-34)25-7-8-26-30(31-25)21(3)29(32-26)23-6-9-27(35-4)28(18-23)36-5/h6-9,18,20,22,24,32H,10-17,19H2,1-5H3
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n/an/a 37n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
HEK-Blue-cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducible...


US Patent US10544143 (2020)


BindingDB Entry DOI: 10.7270/Q2QF8W80
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM50252307
PNG
(CHEMBL4082132)
Show SMILES CN1CCC(CC1)Nc1cccc(c1)-c1nc2ccc(OCCCN3CCCC3)cc2o1
Show InChI InChI=1S/C26H34N4O2/c1-29-15-10-21(11-16-29)27-22-7-4-6-20(18-22)26-28-24-9-8-23(19-25(24)32-26)31-17-5-14-30-12-2-3-13-30/h4,6-9,18-19,21,27H,2-3,5,10-17H2,1H3
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n/an/a 37n/an/an/an/an/an/a



CSIR-Indian Institute of Chemical Biology

Curated by ChEMBL


Assay Description
Antagonist activity at human TLR9 expressed in HEK293 cells assessed as inhibition of CpGB-induced NF-kappaB activation after 24 hrs by spectrophotom...


Eur J Med Chem 134: 334-347 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.086
BindingDB Entry DOI: 10.7270/Q2057JCJ
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM427567
PNG
(2-(3,4-dimethoxyphenyl)-5-(1′-isobutyl-[1,4&...)
Show SMILES COc1ccc(cc1OC)-c1[nH]c2ccc(nc2c1C)C1CCN(CC1)C1CCN(CC(C)C)CC1
Show InChI InChI=1S/C30H42N4O2/c1-20(2)19-33-14-12-24(13-15-33)34-16-10-22(11-17-34)25-7-8-26-30(31-25)21(3)29(32-26)23-6-9-27(35-4)28(18-23)36-5/h6-9,18,20,22,24,32H,10-17,19H2,1-5H3
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n/an/a 37n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
HEK-Blue™-cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducibl...


US Patent US11053244 (2021)

More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM444253
PNG
(US10660877, Example 843)
Show SMILES CC(C)N1CCC(CC1)N1CCC(CC1)c1ccc2[nH]c(c(C)c2c1)-c1ccncc1
Show InChI InChI=1S/C27H36N4/c1-19(2)30-16-10-24(11-17-30)31-14-8-21(9-15-31)23-4-5-26-25(18-23)20(3)27(29-26)22-6-12-28-13-7-22/h4-7,12-13,18-19,21,24,29H,8-11,14-17H2,1-3H3
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n/an/a 38n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
HEK-Blue-cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducible...


US Patent US10660877 (2020)

More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM50467772
PNG
(CHEMBL4284496)
Show SMILES COc1cc2c(nc(NCc3ccc(F)cc3)nc2cc1OCCCN1CCCC1)N1CCN(CC1)C1CCCC1
Show InChI InChI=1S/C32H43FN6O2/c1-40-29-21-27-28(22-30(29)41-20-6-15-37-13-4-5-14-37)35-32(34-23-24-9-11-25(33)12-10-24)36-31(27)39-18-16-38(17-19-39)26-7-2-3-8-26/h9-12,21-22,26H,2-8,13-20,23H2,1H3,(H,34,35,36)
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n/an/a 40n/an/an/an/an/an/a



CSIR-Indian Institute of Chemical Biology

Curated by ChEMBL


Assay Description
Antagonist activity at human TLR9 expressed in HEK-Blue cells assessed as reduction in CpGB-induced NF-kappaB levels after 24 hrs by spectrophotometr...


Eur J Med Chem 159: 187-205 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.058
BindingDB Entry DOI: 10.7270/Q2C2504D
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM50467787
PNG
(CHEMBL4284607)
Show SMILES COc1cc2c(nc(nc2cc1OCCCN1CCCC1)N(C)C)N1CCN(C)CC1
Show InChI InChI=1S/C23H36N6O2/c1-26(2)23-24-19-17-21(31-15-7-10-28-8-5-6-9-28)20(30-4)16-18(19)22(25-23)29-13-11-27(3)12-14-29/h16-17H,5-15H2,1-4H3
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n/an/a 40n/an/an/an/an/an/a



CSIR-Indian Institute of Chemical Biology

Curated by ChEMBL


Assay Description
Antagonist activity at human TLR9 expressed in HEK-Blue cells assessed as reduction in CpGB-induced NF-kappaB levels after 24 hrs by spectrophotometr...


Eur J Med Chem 159: 187-205 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.058
BindingDB Entry DOI: 10.7270/Q2C2504D
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM444086
PNG
(US10660877, Example 675)
Show SMILES CCc1c([nH]c2ccc(cc12)C1CCN(CC2CCN(CC2)C(C)C)CC1)-c1ccnc(C)c1
Show InChI InChI=1S/C30H42N4/c1-5-27-28-19-25(6-7-29(28)32-30(27)26-8-13-31-22(4)18-26)24-11-14-33(15-12-24)20-23-9-16-34(17-10-23)21(2)3/h6-8,13,18-19,21,23-24,32H,5,9-12,14-17,20H2,1-4H3
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n/an/a 42n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
HEK-Blue-cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducible...


US Patent US10660877 (2020)

More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM444223
PNG
(US10660877, Example 813)
Show SMILES CC(C)N1CCC(CC1)N1CCC(CC1)c1ccc2[nH]c(c(C)c2c1)-c1cc(C)nc(C)c1
Show InChI InChI=1S/C29H40N4/c1-19(2)32-14-10-26(11-15-32)33-12-8-23(9-13-33)24-6-7-28-27(18-24)22(5)29(31-28)25-16-20(3)30-21(4)17-25/h6-7,16-19,23,26,31H,8-15H2,1-5H3
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n/an/a 42n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
HEK-Blue-cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducible...


US Patent US10660877 (2020)

More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM444183
PNG
(US10660877, Example 773)
Show SMILES CCc1c([nH]c2ccc(cc12)C1CCN(CC1)C1CCN(CC(C)C)CC1)-c1ccnc(N)c1
Show InChI InChI=1S/C29H41N5/c1-4-25-26-17-22(5-6-27(26)32-29(25)23-7-12-31-28(30)18-23)21-8-15-34(16-9-21)24-10-13-33(14-11-24)19-20(2)3/h5-7,12,17-18,20-21,24,32H,4,8-11,13-16,19H2,1-3H3,(H2,30,31)
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n/an/a 45n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
HEK-Blue-cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducible...


US Patent US10660877 (2020)

More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM443686
PNG
(US10660877, Example 272)
Show SMILES CC(C)c1c([nH]c2ccc(cc12)C1CCN(CC(=O)N2CCNC(=O)C2)CC1)-c1cc(C)nc(C)c1
Show InChI InChI=1S/C29H37N5O2/c1-18(2)28-24-15-22(5-6-25(24)32-29(28)23-13-19(3)31-20(4)14-23)21-7-10-33(11-8-21)17-27(36)34-12-9-30-26(35)16-34/h5-6,13-15,18,21,32H,7-12,16-17H2,1-4H3,(H,30,35)
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n/an/a 46n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
HEK-Blue-cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducible...


US Patent US10660877 (2020)

More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM50549726
PNG
(CHEMBL4747784)
Show SMILES C[C@@H]1CN(C[C@@H]2CN(CCc3ccc(nc3)N3C[C@@H](N)[C@@H](F)C3)CCN12)c1ccc(C#N)c2ncccc12
Show InChI InChI=1S/C29H35FN8/c1-20-15-36(27-6-5-22(13-31)29-24(27)3-2-9-33-29)17-23-16-35(11-12-38(20)23)10-8-21-4-7-28(34-14-21)37-18-25(30)26(32)19-37/h2-7,9,14,20,23,25-26H,8,10-12,15-19,32H2,1H3/t20-,23+,25+,26-/m1/s1
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n/an/a 47n/an/an/an/an/an/a



Smith, Gambrell & Russell LLP

Curated by ChEMBL


Assay Description
Inhibition of human TLR9 expressed in HEK-Blue cells assessed as inhibition of ODN2006-induced NF-kappaB and AP-1 activation measured after 20 hrs by...


ACS Med Chem Lett 12: 7-8 (2021)

More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM50252309
PNG
(CHEMBL4100657)
Show SMILES CN(C)Cc1ccc(cc1)C(=O)Nc1cccc(c1)-c1nc2ccc(OCCCN3CCCC3)cc2o1
Show InChI InChI=1S/C30H34N4O3/c1-33(2)21-22-9-11-23(12-10-22)29(35)31-25-8-5-7-24(19-25)30-32-27-14-13-26(20-28(27)37-30)36-18-6-17-34-15-3-4-16-34/h5,7-14,19-20H,3-4,6,15-18,21H2,1-2H3,(H,31,35)
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n/an/a 48n/an/an/an/an/an/a



CSIR-Indian Institute of Chemical Biology

Curated by ChEMBL


Assay Description
Antagonist activity at TLR9 in human PBMC assessed as inhibition of CpGA-induced IFN-alpha production after 18 hrs by ELISA


Eur J Med Chem 134: 334-347 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.086
BindingDB Entry DOI: 10.7270/Q2057JCJ
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM50252309
PNG
(CHEMBL4100657)
Show SMILES CN(C)Cc1ccc(cc1)C(=O)Nc1cccc(c1)-c1nc2ccc(OCCCN3CCCC3)cc2o1
Show InChI InChI=1S/C30H34N4O3/c1-33(2)21-22-9-11-23(12-10-22)29(35)31-25-8-5-7-24(19-25)30-32-27-14-13-26(20-28(27)37-30)36-18-6-17-34-15-3-4-16-34/h5,7-14,19-20H,3-4,6,15-18,21H2,1-2H3,(H,31,35)
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n/an/a<50n/an/an/an/an/an/a



CSIR-Indian Institute of Chemical Biology

Curated by ChEMBL


Assay Description
Antagonist activity at TLR9 in human PBMC assessed as inhibition of CpGA-induced IFN-alpha production after 18 hrs by ELISA


Eur J Med Chem 134: 334-347 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.086
BindingDB Entry DOI: 10.7270/Q2057JCJ
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM50252307
PNG
(CHEMBL4082132)
Show SMILES CN1CCC(CC1)Nc1cccc(c1)-c1nc2ccc(OCCCN3CCCC3)cc2o1
Show InChI InChI=1S/C26H34N4O2/c1-29-15-10-21(11-16-29)27-22-7-4-6-20(18-22)26-28-24-9-8-23(19-25(24)32-26)31-17-5-14-30-12-2-3-13-30/h4,6-9,18-19,21,27H,2-3,5,10-17H2,1H3
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n/an/a<50n/an/an/an/an/an/a



CSIR-Indian Institute of Chemical Biology

Curated by ChEMBL


Assay Description
Antagonist activity at TLR9 in human PBMC assessed as inhibition of CpGA-induced IFN-alpha production after 18 hrs by ELISA


Eur J Med Chem 134: 334-347 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.086
BindingDB Entry DOI: 10.7270/Q2057JCJ
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM50252308
PNG
(CHEMBL4065452)
Show SMILES C(COc1ccc(cc1)-c1nc2ccc(OCCCN3CCCC3)cc2o1)CN1CCCC1
Show InChI InChI=1S/C27H35N3O3/c1-2-14-29(13-1)17-5-19-31-23-9-7-22(8-10-23)27-28-25-12-11-24(21-26(25)33-27)32-20-6-18-30-15-3-4-16-30/h7-12,21H,1-6,13-20H2
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n/an/a<50n/an/an/an/an/an/a



CSIR-Indian Institute of Chemical Biology

Curated by ChEMBL


Assay Description
Antagonist activity at TLR9 in human PBMC assessed as inhibition of CpGA-induced IFN-alpha production after 18 hrs by ELISA


Eur J Med Chem 134: 334-347 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.086
BindingDB Entry DOI: 10.7270/Q2057JCJ
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM50252307
PNG
(CHEMBL4082132)
Show SMILES CN1CCC(CC1)Nc1cccc(c1)-c1nc2ccc(OCCCN3CCCC3)cc2o1
Show InChI InChI=1S/C26H34N4O2/c1-29-15-10-21(11-16-29)27-22-7-4-6-20(18-22)26-28-24-9-8-23(19-25(24)32-26)31-17-5-14-30-12-2-3-13-30/h4,6-9,18-19,21,27H,2-3,5,10-17H2,1H3
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n/an/a<50n/an/an/an/an/an/a



CSIR-Indian Institute of Chemical Biology

Curated by ChEMBL


Assay Description
Antagonist activity at human TLR9 expressed in HEK293 cells assessed as inhibition of CpGB-induced NF-kappaB activation after 24 hrs by spectrophotom...


Eur J Med Chem 134: 334-347 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.086
BindingDB Entry DOI: 10.7270/Q2057JCJ
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM50467796
PNG
(CHEMBL4285558)
Show SMILES COc1cc2c(nc(NCCCn3ccnc3)nc2cc1OCCCN1CCCC1)N1CCN(CC1)C1CCCC1
Show InChI InChI=1S/C31H46N8O2/c1-40-28-22-26-27(23-29(28)41-21-7-15-36-12-4-5-13-36)34-31(33-10-6-14-37-16-11-32-24-37)35-30(26)39-19-17-38(18-20-39)25-8-2-3-9-25/h11,16,22-25H,2-10,12-15,17-21H2,1H3,(H,33,34,35)
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n/an/a 50n/an/an/an/an/an/a



CSIR-Indian Institute of Chemical Biology

Curated by ChEMBL


Assay Description
Antagonist activity at human TLR9 expressed in HEK-Blue cells assessed as reduction in CpGB-induced NF-kappaB levels after 24 hrs by spectrophotometr...


Eur J Med Chem 159: 187-205 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.058
BindingDB Entry DOI: 10.7270/Q2C2504D
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM50549725
PNG
(CHEMBL4745246)
Show SMILES C[C@@H]1CN(C[C@H]2CN(CCN12)c1cncc2CNCCc12)c1ccc(C#N)c2ncccc12
Show InChI InChI=1S/C26H29N7/c1-18-15-32(24-5-4-19(11-27)26-23(24)3-2-7-30-26)17-21-16-31(9-10-33(18)21)25-14-29-13-20-12-28-8-6-22(20)25/h2-5,7,13-14,18,21,28H,6,8-10,12,15-17H2,1H3/t18-,21-/m1/s1
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n/an/a 50n/an/an/an/an/an/a



Smith, Gambrell & Russell LLP

Curated by ChEMBL


Assay Description
Inhibition of human TLR9 expressed in HEK-Blue cells assessed as inhibition of ODN2006-induced NF-kappaB and AP-1 activation measured after 20 hrs by...


ACS Med Chem Lett 12: 7-8 (2021)

More data for this
Ligand-Target Pair
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