BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 1288 hits Enz. Inhib. hit(s) with Target = 'Toll-like receptor 9 (TLR9)'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Toll-like receptor 9 (TLR9)


(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
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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 (TLR9)


(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
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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 (TLR9)


(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)
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
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 (TLR9)


(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
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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 (TLR9)


(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
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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 (TLR9)


(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
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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 (TLR9)


(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
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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 (TLR9)


(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
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
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 (TLR9)


(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)
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
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 (TLR9)


(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
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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 (TLR9)


(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)
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
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 (TLR9)


(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)
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
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)


Article DOI: 10.1021/jm060677i
More data for this
Ligand-Target Pair
Toll-like receptor 9 (TLR9)


(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)
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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 (TLR9)


(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
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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 (TLR9)


(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)
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
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 (TLR9)


(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)
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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 (TLR9)


(Homo sapiens (Human))
BDBM273746
PNG
(US10071079, Example 532)
Show SMILES CC(C)c1c([nH]c2ccc(cc12)C1CCN(Cc2c[nH]c(C)n2)CC1)-c1ccc2nc(C)nn2c1
Show InChI InChI=1S/C28H33N7/c1-17(2)27-24-13-21(20-9-11-34(12-10-20)16-23-14-29-18(3)30-23)5-7-25(24)32-28(27)22-6-8-26-31-19(4)33-35(26)15-22/h5-8,13-15,17,20,32H,9-12,16H2,1-4H3,(H,29,30)
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 55n/an/an/an/an/a25



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 US10071079 (2018)


Article DOI: 10.1016/j.chembiol.2005.07.009
More data for this
Ligand-Target Pair
Toll-like receptor 9 (TLR9)


(Homo sapiens (Human))
BDBM50033106
PNG
(CHEMBL3357066)
Show SMILES CN1CCN(CC1)c1cccc(c1)-c1ncc2CCN(CCCN3CCOCC3)c2n1
Show InChI InChI=1S/C24H34N6O/c1-27-10-12-29(13-11-27)22-5-2-4-20(18-22)23-25-19-21-6-9-30(24(21)26-23)8-3-7-28-14-16-31-17-15-28/h2,4-5,18-19H,3,6-17H2,1H3
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 56n/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 (TLR9)


(Homo sapiens (Human))
BDBM50033105
PNG
(CHEMBL3357067)
Show SMILES CN1CCN(CC1)c1ccccc1-c1ncc2CCN(CCCN3CCOCC3)c2n1
Show InChI InChI=1S/C24H34N6O/c1-27-11-13-29(14-12-27)22-6-3-2-5-21(22)23-25-19-20-7-10-30(24(20)26-23)9-4-8-28-15-17-31-18-16-28/h2-3,5-6,19H,4,7-18H2,1H3
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 56n/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 (TLR9)


(Homo sapiens (Human))
BDBM273834
PNG
(US10071079, Example 620)
Show SMILES CC(C)c1c([nH]c2ccc(cc12)C1CCN(Cc2c[nH]c(C)n2)CC1)-c1cc(C)c2ncnn2c1
Show InChI InChI=1S/C28H33N7/c1-17(2)26-24-12-21(20-7-9-34(10-8-20)15-23-13-29-19(4)32-23)5-6-25(24)33-27(26)22-11-18(3)28-30-16-31-35(28)14-22/h5-6,11-14,16-17,20,33H,7-10,15H2,1-4H3,(H,29,32)
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 58n/an/an/an/an/a25



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 US10071079 (2018)


Article DOI: 10.1016/j.chembiol.2005.07.009
More data for this
Ligand-Target Pair
Toll-like receptor 9 (TLR9)


(Homo sapiens (Human))
BDBM235714
PNG
(US10117875, Example 54 | US9359361, 54)
Show SMILES CN1CCN(CC1)c1nc2nc(nc(NCCN3CCOCC3)c2nc1Cl)-c1ccccc1
Show InChI InChI=1S/C23H29ClN8O/c1-30-9-11-32(12-10-30)23-19(24)26-18-21(25-7-8-31-13-15-33-16-14-31)27-20(28-22(18)29-23)17-5-3-2-4-6-17/h2-6H,7-16H2,1H3,(H,25,27,28,29)
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 62n/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)


Article DOI: 10.1021/jm060677i
More data for this
Ligand-Target Pair
Toll-like receptor 9 (TLR9)


(Homo sapiens (Human))
BDBM235714
PNG
(US10117875, Example 54 | US9359361, 54)
Show SMILES CN1CCN(CC1)c1nc2nc(nc(NCCN3CCOCC3)c2nc1Cl)-c1ccccc1
Show InChI InChI=1S/C23H29ClN8O/c1-30-9-11-32(12-10-30)23-19(24)26-18-21(25-7-8-31-13-15-33-16-14-31)27-20(28-22(18)29-23)17-5-3-2-4-6-17/h2-6H,7-16H2,1H3,(H,25,27,28,29)
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 62n/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 (TLR9)


(Homo sapiens (Human))
BDBM83280
PNG
((2S,3S)-2,3-bis(p-anisyl)-1,4-dioxaspiro[4.5]deca-...)
Show SMILES COc1ccc(C[C@@H]2OC3(O[C@H]2Cc2ccc(OC)cc2)C=CC(=O)C=C3)cc1
Show InChI InChI=1S/C24H24O5/c1-26-20-7-3-17(4-8-20)15-22-23(16-18-5-9-21(27-2)10-6-18)29-24(28-22)13-11-19(25)12-14-24/h3-14,22-23H,15-16H2,1-2H3/t22-,23-/m0/s1
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 65n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q25Q4TQ8
More data for this
Ligand-Target Pair
Toll-like receptor 9 (TLR9)


(Homo sapiens (Human))
BDBM232965
PNG
(US9353115, 1)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1nc(NCCN2CCOCC2)c2nc[nH]c2n1
Show InChI InChI=1S/C22H30N8O/c1-28-8-10-30(11-9-28)18-4-2-17(3-5-18)20-26-21(19-22(27-20)25-16-24-19)23-6-7-29-12-14-31-15-13-29/h2-5,16H,6-15H2,1H3,(H2,23,24,25,26,27)
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 72n/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 US9353115 (2016)


BindingDB Entry DOI: 10.7270/Q2W66JPM
More data for this
Ligand-Target Pair
Toll-like receptor 9 (TLR9)


(Homo sapiens (Human))
BDBM50033120
PNG
(CHEMBL3357061)
Show SMILES CN(C)c1nc(nc2N(CCCN3CCCC3)CCc12)-c1ccc(cc1)N1CCN(C)CC1
Show InChI InChI=1S/C26H39N7/c1-29(2)25-23-11-16-33(15-6-14-31-12-4-5-13-31)26(23)28-24(27-25)21-7-9-22(10-8-21)32-19-17-30(3)18-20-32/h7-10H,4-6,11-20H2,1-3H3
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 73n/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 (TLR9)


(Homo sapiens (Human))
BDBM50033118
PNG
(CHEMBL3357063)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ncc2CCN(CCN3CCOCC3)c2n1
Show InChI InChI=1S/C23H32N6O/c1-26-8-11-28(12-9-26)21-4-2-19(3-5-21)22-24-18-20-6-7-29(23(20)25-22)13-10-27-14-16-30-17-15-27/h2-5,18H,6-17H2,1H3
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 73n/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 (TLR9)


(Homo sapiens (Human))
BDBM273806
PNG
(US10071079, Example 592)
Show SMILES CC(C)c1c([nH]c2ccc(cc12)C1CCN(CC1)C1COC1)-c1cc(N2CCN(C)CC2)c2ncnn2c1
Show InChI InChI=1S/C30H39N7O/c1-20(2)28-25-14-22(21-6-8-35(9-7-21)24-17-38-18-24)4-5-26(25)33-29(28)23-15-27(30-31-19-32-37(30)16-23)36-12-10-34(3)11-13-36/h4-5,14-16,19-21,24,33H,6-13,17-18H2,1-3H3
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 81n/an/an/an/an/a25



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 US10071079 (2018)


Article DOI: 10.1016/j.chembiol.2005.07.009
More data for this
Ligand-Target Pair
Toll-like receptor 9 (TLR9)


(Homo sapiens (Human))
BDBM50033122
PNG
(CHEMBL3356619)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1nc2N(CCCN3CCCC3)CCc2c(Cl)n1
Show InChI InChI=1S/C24H33ClN6/c1-28-15-17-30(18-16-28)20-7-5-19(6-8-20)23-26-22(25)21-9-14-31(24(21)27-23)13-4-12-29-10-2-3-11-29/h5-8H,2-4,9-18H2,1H3
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 84n/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 (TLR9)


(Homo sapiens (Human))
BDBM273527
PNG
(US10071079, Example 310)
Show SMILES CC(C)c1c([nH]c2ccc(cc12)C1CCN(CCS(C)(=O)=O)CC1)-c1cc(N2CCN(C)CC2)c2ncnn2c1
Show InChI InChI=1S/C30H41N7O2S/c1-21(2)28-25-17-23(22-7-9-35(10-8-22)15-16-40(4,38)39)5-6-26(25)33-29(28)24-18-27(30-31-20-32-37(30)19-24)36-13-11-34(3)12-14-36/h5-6,17-22,33H,7-16H2,1-4H3
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 112n/an/an/an/an/a25



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 US10071079 (2018)


Article DOI: 10.1016/j.chembiol.2005.07.009
More data for this
Ligand-Target Pair
Toll-like receptor 9 (TLR9)


(Homo sapiens (Human))
BDBM235721
PNG
(US10117875, Example 63 | US9359361, 63)
Show SMILES CN(C)CCN(C)c1nc(nc2nc(cnc12)N1CCN(C)CC1)-c1ccccc1
Show InChI InChI=1S/C22H30N8/c1-27(2)10-13-29(4)22-19-21(25-20(26-22)17-8-6-5-7-9-17)24-18(16-23-19)30-14-11-28(3)12-15-30/h5-9,16H,10-15H2,1-4H3
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 112n/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 (TLR9)


(Homo sapiens (Human))
BDBM235721
PNG
(US10117875, Example 63 | US9359361, 63)
Show SMILES CN(C)CCN(C)c1nc(nc2nc(cnc12)N1CCN(C)CC1)-c1ccccc1
Show InChI InChI=1S/C22H30N8/c1-27(2)10-13-29(4)22-19-21(25-20(26-22)17-8-6-5-7-9-17)24-18(16-23-19)30-14-11-28(3)12-15-30/h5-9,16H,10-15H2,1-4H3
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 112n/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)


Article DOI: 10.1021/jm060677i
More data for this
Ligand-Target Pair
Toll-like receptor 9 (TLR9)


(Homo sapiens (Human))
BDBM235716
PNG
(US10117875, Example 57 | US9359361, 57)
Show SMILES CN1CCN(CCNc2nc(nc3nc(cnc23)N2CCN(C)CC2)-c2ccccc2)CC1
Show InChI InChI=1S/C24H33N9/c1-30-10-14-32(15-11-30)9-8-25-23-21-24(29-22(28-23)19-6-4-3-5-7-19)27-20(18-26-21)33-16-12-31(2)13-17-33/h3-7,18H,8-17H2,1-2H3,(H,25,27,28,29)
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 113n/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 (TLR9)


(Homo sapiens (Human))
BDBM235716
PNG
(US10117875, Example 57 | US9359361, 57)
Show SMILES CN1CCN(CCNc2nc(nc3nc(cnc23)N2CCN(C)CC2)-c2ccccc2)CC1
Show InChI InChI=1S/C24H33N9/c1-30-10-14-32(15-11-30)9-8-25-23-21-24(29-22(28-23)19-6-4-3-5-7-19)27-20(18-26-21)33-16-12-31(2)13-17-33/h3-7,18H,8-17H2,1-2H3,(H,25,27,28,29)
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 113n/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)


Article DOI: 10.1021/jm060677i
More data for this
Ligand-Target Pair
Toll-like receptor 9 (TLR9)


(Homo sapiens (Human))
BDBM50033136
PNG
(CHEMBL3356613)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ncc(C)c(NCCN2CCOCC2)n1
Show InChI InChI=1S/C22H32N6O/c1-18-17-24-22(25-21(18)23-7-8-27-13-15-29-16-14-27)19-3-5-20(6-4-19)28-11-9-26(2)10-12-28/h3-6,17H,7-16H2,1-2H3,(H,23,24,25)
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 120n/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 (TLR9)


(Homo sapiens (Human))
BDBM50033121
PNG
(CHEMBL3357060)
Show SMILES COc1nc(nc2N(CCCN3CCCC3)CCc12)-c1ccc(cc1)N1CCN(C)CC1
Show InChI InChI=1S/C25H36N6O/c1-28-16-18-30(19-17-28)21-8-6-20(7-9-21)23-26-24-22(25(27-23)32-2)10-15-31(24)14-5-13-29-11-3-4-12-29/h6-9H,3-5,10-19H2,1-2H3
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 120n/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 (TLR9)


(Homo sapiens (Human))
BDBM273897
PNG
(US10071079, Example 683)
Show SMILES CNCC(=O)N1CCC(CC1)c1ccc2[nH]c(c(C(C)C)c2c1)-c1cc(OC)c2nc(C)nn2c1
Show InChI InChI=1S/C27H34N6O2/c1-16(2)25-21-12-19(18-8-10-32(11-9-18)24(34)14-28-4)6-7-22(21)30-26(25)20-13-23(35-5)27-29-17(3)31-33(27)15-20/h6-7,12-13,15-16,18,28,30H,8-11,14H2,1-5H3
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 124n/an/an/an/an/a25



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 US10071079 (2018)


Article DOI: 10.1016/j.chembiol.2005.07.009
More data for this
Ligand-Target Pair
Toll-like receptor 9 (TLR9)


(Homo sapiens (Human))
BDBM235730
PNG
(US10117875, Example 73 | US9359361, 73)
Show SMILES CN1CCN(CCNc2nc(nc3n(CCN4CCN(C)CC4)c(=O)c(nc23)-c2ccccc2)-c2ccccc2)CC1
Show InChI InChI=1S/C32H41N9O/c1-37-15-19-39(20-16-37)14-13-33-30-28-31(36-29(35-30)26-11-7-4-8-12-26)41(24-23-40-21-17-38(2)18-22-40)32(42)27(34-28)25-9-5-3-6-10-25/h3-12H,13-24H2,1-2H3,(H,33,35,36)
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 124n/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)


Article DOI: 10.1021/jm060677i
More data for this
Ligand-Target Pair
Toll-like receptor 9 (TLR9)


(Homo sapiens (Human))
BDBM235730
PNG
(US10117875, Example 73 | US9359361, 73)
Show SMILES CN1CCN(CCNc2nc(nc3n(CCN4CCN(C)CC4)c(=O)c(nc23)-c2ccccc2)-c2ccccc2)CC1
Show InChI InChI=1S/C32H41N9O/c1-37-15-19-39(20-16-37)14-13-33-30-28-31(36-29(35-30)26-11-7-4-8-12-26)41(24-23-40-21-17-38(2)18-22-40)32(42)27(34-28)25-9-5-3-6-10-25/h3-12H,13-24H2,1-2H3,(H,33,35,36)
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 124n/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 (TLR9)


(Homo sapiens (Human))
BDBM235727
PNG
(US10117875, Example 70 | US9359361, 70)
Show SMILES O=c1c(nc2c(NCCN3CCOCC3)nc(nc2n1CCN1CCOCC1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C30H35N7O3/c38-30-25(23-7-3-1-4-8-23)32-26-28(31-11-12-35-15-19-39-20-16-35)33-27(24-9-5-2-6-10-24)34-29(26)37(30)14-13-36-17-21-40-22-18-36/h1-10H,11-22H2,(H,31,33,34)
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 137n/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)


Article DOI: 10.1021/jm060677i
More data for this
Ligand-Target Pair
Toll-like receptor 9 (TLR9)


(Homo sapiens (Human))
BDBM235727
PNG
(US10117875, Example 70 | US9359361, 70)
Show SMILES O=c1c(nc2c(NCCN3CCOCC3)nc(nc2n1CCN1CCOCC1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C30H35N7O3/c38-30-25(23-7-3-1-4-8-23)32-26-28(31-11-12-35-15-19-39-20-16-35)33-27(24-9-5-2-6-10-24)34-29(26)37(30)14-13-36-17-21-40-22-18-36/h1-10H,11-22H2,(H,31,33,34)
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 137n/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 (TLR9)


(Homo sapiens (Human))
BDBM232966
PNG
(US9353115, 54)
Show SMILES CCN1CCN(CC1)c1ccc(cc1)-c1nc(NCCN2CCOCC2)c2nc[nH]c2n1
Show InChI InChI=1S/C23H32N8O/c1-2-29-9-11-31(12-10-29)19-5-3-18(4-6-19)21-27-22(20-23(28-21)26-17-25-20)24-7-8-30-13-15-32-16-14-30/h3-6,17H,2,7-16H2,1H3,(H2,24,25,26,27,28)
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 142n/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 US9353115 (2016)


BindingDB Entry DOI: 10.7270/Q2W66JPM
More data for this
Ligand-Target Pair
Toll-like receptor 9 (TLR9)


(Homo sapiens (Human))
BDBM83279
PNG
((2R,3R)-2,3-bis(phenylmethyl)-1,4-dioxaspiro[4.5]d...)
Show SMILES O=C1C=CC2(O[C@H](Cc3ccccc3)[C@@H](Cc3ccccc3)O2)C=C1
Show InChI InChI=1S/C22H20O3/c23-19-11-13-22(14-12-19)24-20(15-17-7-3-1-4-8-17)21(25-22)16-18-9-5-2-6-10-18/h1-14,20-21H,15-16H2/t20-,21-/m1/s1
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 155n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q25Q4TQ8
More data for this
Ligand-Target Pair
Toll-like receptor 9 (TLR9)


(Homo sapiens (Human))
BDBM273528
PNG
(US10071079, Example 311)
Show SMILES CNC(=O)CN1CCC(CC1)c1ccc2[nH]c(c(C(C)C)c2c1)-c1cc(N2CCN(C)CC2)c2ncnn2c1
Show InChI InChI=1S/C30H40N8O/c1-20(2)28-24-15-22(21-7-9-36(10-8-21)18-27(39)31-3)5-6-25(24)34-29(28)23-16-26(30-32-19-33-38(30)17-23)37-13-11-35(4)12-14-37/h5-6,15-17,19-21,34H,7-14,18H2,1-4H3,(H,31,39)
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 155n/an/an/an/an/a25



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 US10071079 (2018)


Article DOI: 10.1016/j.chembiol.2005.07.009
More data for this
Ligand-Target Pair
Toll-like receptor 9 (TLR9)


(Homo sapiens (Human))
BDBM274201
PNG
(US10071079, Example 987)
Show SMILES CC(C)c1c([nH]c2ccc(cc12)C1CCN(CC1)c1ccc(CN(C)C)cn1)-c1cn2ncnc2c(C)c1C
Show InChI InChI=1S/C32H39N7/c1-20(2)30-26-15-25(24-11-13-38(14-12-24)29-10-7-23(16-33-29)17-37(5)6)8-9-28(26)36-31(30)27-18-39-32(34-19-35-39)22(4)21(27)3/h7-10,15-16,18-20,24,36H,11-14,17H2,1-6H3
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 160n/an/an/an/an/a25



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 US10071079 (2018)


Article DOI: 10.1016/j.chembiol.2005.07.009
More data for this
Ligand-Target Pair
Toll-like receptor 9 (TLR9)


(Homo sapiens (Human))
BDBM83276
PNG
(MLS002702141 | SMR001565706 | [(1E,3E)-4-(benzenes...)
Show SMILES O=S(=O)(\C=C\C=C\S(=O)(=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C16H14O4S2/c17-21(18,15-9-3-1-4-10-15)13-7-8-14-22(19,20)16-11-5-2-6-12-16/h1-14H/b13-7+,14-8+
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 160n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q25Q4TQ8
More data for this
Ligand-Target Pair
Toll-like receptor 9 (TLR9)


(Homo sapiens (Human))
BDBM235732
PNG
(US10117875, Example 66 | US9359361, 66)
Show SMILES C(CN1CCOCC1)Nc1nc2c(NCCN3CCOCC3)nc(nc2nc1N1CCCC1)-c1ccccc1
Show InChI InChI=1S/C28H39N9O2/c1-2-6-22(7-3-1)24-32-25(29-8-12-35-14-18-38-19-15-35)23-26(33-24)34-28(37-10-4-5-11-37)27(31-23)30-9-13-36-16-20-39-21-17-36/h1-3,6-7H,4-5,8-21H2,(H,30,31)(H,29,32,33,34)
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 181n/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)


Article DOI: 10.1021/jm060677i
More data for this
Ligand-Target Pair
Toll-like receptor 9 (TLR9)


(Homo sapiens (Human))
BDBM235732
PNG
(US10117875, Example 66 | US9359361, 66)
Show SMILES C(CN1CCOCC1)Nc1nc2c(NCCN3CCOCC3)nc(nc2nc1N1CCCC1)-c1ccccc1
Show InChI InChI=1S/C28H39N9O2/c1-2-6-22(7-3-1)24-32-25(29-8-12-35-14-18-38-19-15-35)23-26(33-24)34-28(37-10-4-5-11-37)27(31-23)30-9-13-36-16-20-39-21-17-36/h1-3,6-7H,4-5,8-21H2,(H,30,31)(H,29,32,33,34)
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 181n/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 (TLR9)


(Homo sapiens (Human))
BDBM274077
PNG
(US10071079, Example 863)
Show SMILES COc1cc(cn2ncnc12)-c1[nH]c2ccc(cc2c1C(C)C)C1CCN(CC(=O)N2CC[C@@H](O)C2)CC1
Show InChI InChI=1S/C29H36N6O3/c1-18(2)27-23-12-20(19-6-9-33(10-7-19)16-26(37)34-11-8-22(36)15-34)4-5-24(23)32-28(27)21-13-25(38-3)29-30-17-31-35(29)14-21/h4-5,12-14,17-19,22,32,36H,6-11,15-16H2,1-3H3/t22-/m1/s1
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 182n/an/an/an/an/a25



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 US10071079 (2018)


Article DOI: 10.1016/j.chembiol.2005.07.009
More data for this
Ligand-Target Pair
Toll-like receptor 9 (TLR9)


(Homo sapiens (Human))
BDBM50033164
PNG
(CHEMBL3356610)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1nc2CCOCc2c(NCCN2CCOCC2)n1
Show InChI InChI=1S/C24H34N6O2/c1-28-9-11-30(12-10-28)20-4-2-19(3-5-20)23-26-22-6-15-32-18-21(22)24(27-23)25-7-8-29-13-16-31-17-14-29/h2-5H,6-18H2,1H3,(H,25,26,27)
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 190n/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 (TLR9)


(Homo sapiens (Human))
BDBM273935
PNG
(US10071079, Example 721)
Show SMILES CCC(CC)C(=O)C1CCCN(CC(=O)N2CCC(CC2)c2ccc3[nH]c(c(C(C)C)c3c2)-c2cn3ncnc3c(C)c2C)C1
Show InChI InChI=1S/C37H50N6O2/c1-7-26(8-2)36(45)29-10-9-15-41(19-29)21-33(44)42-16-13-27(14-17-42)28-11-12-32-30(18-28)34(23(3)4)35(40-32)31-20-43-37(38-22-39-43)25(6)24(31)5/h11-12,18,20,22-23,26-27,29,40H,7-10,13-17,19,21H2,1-6H3
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 190n/an/an/an/an/a25



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 US10071079 (2018)


Article DOI: 10.1016/j.chembiol.2005.07.009
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 1288 total )  |  Next  |  Last  >>
Jump to: