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PubMed code 25408837

Compile data set for download or QSAR
Found 24 hits of Enzyme Inhibition Constant Data   
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))
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))
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))
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))
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))
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))
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))
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))
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
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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


(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
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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


(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
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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


(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
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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


(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
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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


(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)
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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


(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
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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


(Homo sapiens (Human))
BDBM50033138
PNG
(CHEMBL3356612)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1nccc(NCCN2CCOCC2)n1
Show InChI InChI=1S/C21H30N6O/c1-25-10-12-27(13-11-25)19-4-2-18(3-5-19)21-23-7-6-20(24-21)22-8-9-26-14-16-28-17-15-26/h2-7H,8-17H2,1H3,(H,22,23,24)
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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


(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)
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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 7


(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>970n/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human TLR7 transfected in HEK293 cells assessed as hydrolysis of pNPP after 24 hrs by SEAP 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))
BDBM50033104
PNG
(CHEMBL3357068)
Show SMILES CN1CCN(C(=O)C1)c1ccc(cc1)-c1ncc2CCN(CCCN3CCOCC3)c2n1
Show InChI InChI=1S/C24H32N6O2/c1-27-11-12-30(22(31)18-27)21-5-3-19(4-6-21)23-25-17-20-7-10-29(24(20)26-23)9-2-8-28-13-15-32-16-14-28/h3-6,17H,2,7-16,18H2,1H3
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n/an/a>1.00E+3n/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 8


(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
PDB

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n/an/a>1.00E+4n/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human TLR8 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
* indicates data uncertainty>20%