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Compile Data Set for Download or QSAR

Found 65 hits Enz. Inhib. hit(s) with all data for entry = 50049195   
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 7


(Homo sapiens (Human))
BDBM50236166
PNG
(CHEMBL4069667)
Show SMILES CCCCNc1nc(N)nc(C)c1CCCN1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C20H25N5O2/c1-3-4-11-22-17-14(13(2)23-20(21)24-17)10-7-12-25-18(26)15-8-5-6-9-16(15)19(25)27/h5-6,8-9H,3-4,7,10-12H2,1-2H3,(H3,21,22,23,24)
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n/an/an/an/a 1.29E+3n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at human TLR7 expressed in HEK293 cells co-expressing secreted alkaline phosphatase assessed as induction of NF-kappaB/AP-1 promoter...


J Med Chem 60: 2084-2098 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01860
BindingDB Entry DOI: 10.7270/Q27083QG
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM50236180
PNG
(CHEMBL4084584)
Show SMILES CCCCNc1nc(N)nc(C)c1CCCC(C)(C)O
Show InChI InChI=1S/C15H28N4O/c1-5-6-10-17-13-12(8-7-9-15(3,4)20)11(2)18-14(16)19-13/h20H,5-10H2,1-4H3,(H3,16,17,18,19)
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n/an/an/an/a 1.22E+3n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at human TLR8 expressed in HEK293 cells co-expressing secreted alkaline phosphatase assessed as induction of NF-kappaB/AP-1 promoter...


J Med Chem 60: 2084-2098 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01860
BindingDB Entry DOI: 10.7270/Q27083QG
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50236159
PNG
(CHEMBL4091116)
Show SMILES CCCCNc1nc(N)nc(C)c1C
Show InChI InChI=1S/C10H18N4/c1-4-5-6-12-9-7(2)8(3)13-10(11)14-9/h4-6H2,1-3H3,(H3,11,12,13,14)
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n/an/an/an/a 3.40E+3n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at human TLR7 expressed in HEK293 cells co-expressing secreted alkaline phosphatase assessed as induction of NF-kappaB/AP-1 promoter...


J Med Chem 60: 2084-2098 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01860
BindingDB Entry DOI: 10.7270/Q27083QG
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM50236186
PNG
(CHEMBL4061145)
Show SMILES CCCCNc1nc(N)nc(C)c1C#CCN1CCOCC1
Show InChI InChI=1S/C16H25N5O/c1-3-4-7-18-15-14(13(2)19-16(17)20-15)6-5-8-21-9-11-22-12-10-21/h3-4,7-12H2,1-2H3,(H3,17,18,19,20)
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n/an/an/an/a 1.62E+4n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at human TLR8 expressed in HEK293 cells co-expressing secreted alkaline phosphatase assessed as induction of NF-kappaB/AP-1 promoter...


J Med Chem 60: 2084-2098 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01860
BindingDB Entry DOI: 10.7270/Q27083QG
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50236189
PNG
(CHEMBL4077919)
Show SMILES CCCCNc1nc(N)nc(C)c1CCCC1CCCCC1
Show InChI InChI=1S/C18H32N4/c1-3-4-13-20-17-16(14(2)21-18(19)22-17)12-8-11-15-9-6-5-7-10-15/h15H,3-13H2,1-2H3,(H3,19,20,21,22)
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n/an/an/an/a 1.10E+3n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at human TLR7 expressed in HEK293 cells co-expressing secreted alkaline phosphatase assessed as induction of NF-kappaB/AP-1 promoter...


J Med Chem 60: 2084-2098 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01860
BindingDB Entry DOI: 10.7270/Q27083QG
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50236170
PNG
(CHEMBL4074289)
Show SMILES CCCCNc1nc(N)nc(C)c1CCCCO
Show InChI InChI=1S/C13H24N4O/c1-3-4-8-15-12-11(7-5-6-9-18)10(2)16-13(14)17-12/h18H,3-9H2,1-2H3,(H3,14,15,16,17)
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n/an/an/an/a 1.02E+3n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at human TLR7 expressed in HEK293 cells co-expressing secreted alkaline phosphatase assessed as induction of NF-kappaB/AP-1 promoter...


J Med Chem 60: 2084-2098 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01860
BindingDB Entry DOI: 10.7270/Q27083QG
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50236158
PNG
(CHEMBL4074552)
Show SMILES CCCCNc1nc(N)nc(C)c1CCCn1cccn1
Show InChI InChI=1S/C15H24N6/c1-3-4-8-17-14-13(12(2)19-15(16)20-14)7-5-10-21-11-6-9-18-21/h6,9,11H,3-5,7-8,10H2,1-2H3,(H3,16,17,19,20)
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n/an/an/an/a 398n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at human TLR7 expressed in HEK293 cells co-expressing secreted alkaline phosphatase assessed as induction of NF-kappaB/AP-1 promoter...


J Med Chem 60: 2084-2098 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01860
BindingDB Entry DOI: 10.7270/Q27083QG
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM50236190
PNG
(CHEMBL4081065)
Show SMILES CCCCNc1nc(N)nc(C)c1C#CCN1CCCCC1
Show InChI InChI=1S/C17H27N5/c1-3-4-10-19-16-15(14(2)20-17(18)21-16)9-8-13-22-11-6-5-7-12-22/h3-7,10-13H2,1-2H3,(H3,18,19,20,21)
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n/an/an/an/a 3.79E+3n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at human TLR8 expressed in HEK293 cells co-expressing secreted alkaline phosphatase assessed as induction of NF-kappaB/AP-1 promoter...


J Med Chem 60: 2084-2098 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01860
BindingDB Entry DOI: 10.7270/Q27083QG
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50236188
PNG
(CHEMBL4071479)
Show SMILES CCCCNc1nc(N)nc(C)c1CCCN1CCN(C)CC1
Show InChI InChI=1S/C17H32N6/c1-4-5-8-19-16-15(14(2)20-17(18)21-16)7-6-9-23-12-10-22(3)11-13-23/h4-13H2,1-3H3,(H3,18,19,20,21)
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n/an/an/an/a 251n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at human TLR7 expressed in HEK293 cells co-expressing secreted alkaline phosphatase assessed as induction of NF-kappaB/AP-1 promoter...


J Med Chem 60: 2084-2098 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01860
BindingDB Entry DOI: 10.7270/Q27083QG
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50236167
PNG
(CHEMBL4096879)
Show SMILES CCCCNc1nc(N)nc(C)c1CCCN1Cc2ccccc2C1
Show InChI InChI=1S/C20H29N5/c1-3-4-11-22-19-18(15(2)23-20(21)24-19)10-7-12-25-13-16-8-5-6-9-17(16)14-25/h5-6,8-9H,3-4,7,10-14H2,1-2H3,(H3,21,22,23,24)
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n/an/an/an/a 375n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at human TLR7 expressed in HEK293 cells co-expressing secreted alkaline phosphatase assessed as induction of NF-kappaB/AP-1 promoter...


J Med Chem 60: 2084-2098 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01860
BindingDB Entry DOI: 10.7270/Q27083QG
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50236144
PNG
(CHEMBL4089935)
Show SMILES CCCCNc1nc(N)nc(C)c1CCc1ccccc1
Show InChI InChI=1S/C17H24N4/c1-3-4-12-19-16-15(13(2)20-17(18)21-16)11-10-14-8-6-5-7-9-14/h5-9H,3-4,10-12H2,1-2H3,(H3,18,19,20,21)
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n/an/an/an/a 2.82E+3n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at human TLR7 expressed in HEK293 cells co-expressing secreted alkaline phosphatase assessed as induction of NF-kappaB/AP-1 promoter...


J Med Chem 60: 2084-2098 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01860
BindingDB Entry DOI: 10.7270/Q27083QG
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50236180
PNG
(CHEMBL4084584)
Show SMILES CCCCNc1nc(N)nc(C)c1CCCC(C)(C)O
Show InChI InChI=1S/C15H28N4O/c1-5-6-10-17-13-12(8-7-9-15(3,4)20)11(2)18-14(16)19-13/h20H,5-10H2,1-4H3,(H3,16,17,18,19)
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n/an/an/an/a 2.89E+3n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at human TLR7 expressed in HEK293 cells co-expressing secreted alkaline phosphatase assessed as induction of NF-kappaB/AP-1 promoter...


J Med Chem 60: 2084-2098 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01860
BindingDB Entry DOI: 10.7270/Q27083QG
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50236169
PNG
(CHEMBL4105319)
Show SMILES CCCCNc1nc(N)nc(C)c1CCCN1CCCC1
Show InChI InChI=1S/C16H29N5/c1-3-4-9-18-15-14(13(2)19-16(17)20-15)8-7-12-21-10-5-6-11-21/h3-12H2,1-2H3,(H3,17,18,19,20)
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n/an/an/an/a 562n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at human TLR7 expressed in HEK293 cells co-expressing secreted alkaline phosphatase assessed as induction of NF-kappaB/AP-1 promoter...


J Med Chem 60: 2084-2098 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01860
BindingDB Entry DOI: 10.7270/Q27083QG
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50236156
PNG
(CHEMBL4090816)
Show SMILES CCCCNc1nc(N)nc(C)c1CCCN1CCOCC1
Show InChI InChI=1S/C16H29N5O/c1-3-4-7-18-15-14(13(2)19-16(17)20-15)6-5-8-21-9-11-22-12-10-21/h3-12H2,1-2H3,(H3,17,18,19,20)
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n/an/an/an/a 46n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at human TLR7 expressed in HEK293 cells co-expressing secreted alkaline phosphatase assessed as induction of NF-kappaB/AP-1 promoter...


J Med Chem 60: 2084-2098 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01860
BindingDB Entry DOI: 10.7270/Q27083QG
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM50236173
PNG
(CHEMBL4103484)
Show SMILES CCCCNc1nc(N)nc(C)c1C#C[Si](C)(C)C
Show InChI InChI=1S/C14H24N4Si/c1-6-7-9-16-13-12(8-10-19(3,4)5)11(2)17-14(15)18-13/h6-7,9H2,1-5H3,(H3,15,16,17,18)
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n/an/an/an/a 9.24E+3n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at human TLR8 expressed in HEK293 cells co-expressing secreted alkaline phosphatase assessed as induction of NF-kappaB/AP-1 promoter...


J Med Chem 60: 2084-2098 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01860
BindingDB Entry DOI: 10.7270/Q27083QG
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50236147
PNG
(CHEMBL4095966)
Show SMILES CCCCNc1nc(N)nc(C)c1CCCCCc1ccccc1
Show InChI InChI=1S/C20H30N4/c1-3-4-15-22-19-18(16(2)23-20(21)24-19)14-10-6-9-13-17-11-7-5-8-12-17/h5,7-8,11-12H,3-4,6,9-10,13-15H2,1-2H3,(H3,21,22,23,24)
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n/an/an/an/a 265n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at human TLR7 expressed in HEK293 cells co-expressing secreted alkaline phosphatase assessed as induction of NF-kappaB/AP-1 promoter...


J Med Chem 60: 2084-2098 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01860
BindingDB Entry DOI: 10.7270/Q27083QG
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM50236176
PNG
(CHEMBL4065677)
Show SMILES CCCCNc1nc(N)nc(C)c1Cc1ccccc1
Show InChI InChI=1S/C16H22N4/c1-3-4-10-18-15-14(12(2)19-16(17)20-15)11-13-8-6-5-7-9-13/h5-9H,3-4,10-11H2,1-2H3,(H3,17,18,19,20)
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n/an/an/an/a 1.20E+3n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at human TLR8 expressed in HEK293 cells co-expressing secreted alkaline phosphatase assessed as induction of NF-kappaB/AP-1 promoter...


J Med Chem 60: 2084-2098 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01860
BindingDB Entry DOI: 10.7270/Q27083QG
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM50236172
PNG
(CHEMBL4085562)
Show SMILES CCCCNc1nc(N)nc(C)c1C#CCCC
Show InChI InChI=1S/C14H22N4/c1-4-6-8-9-12-11(3)17-14(15)18-13(12)16-10-7-5-2/h4-7,10H2,1-3H3,(H3,15,16,17,18)
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n/an/an/an/a 5.00E+3n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at human TLR8 expressed in HEK293 cells co-expressing secreted alkaline phosphatase assessed as induction of NF-kappaB/AP-1 promoter...


J Med Chem 60: 2084-2098 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01860
BindingDB Entry DOI: 10.7270/Q27083QG
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM50236171
PNG
(CHEMBL4093308)
Show SMILES CCCCNc1nc(N)nc(C)c1C#C
Show InChI InChI=1S/C11H16N4/c1-4-6-7-13-10-9(5-2)8(3)14-11(12)15-10/h2H,4,6-7H2,1,3H3,(H3,12,13,14,15)
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n/an/an/an/a 4.90E+3n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at human TLR8 expressed in HEK293 cells co-expressing secreted alkaline phosphatase assessed as induction of NF-kappaB/AP-1 promoter...


J Med Chem 60: 2084-2098 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01860
BindingDB Entry DOI: 10.7270/Q27083QG
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM50236175
PNG
(CHEMBL4088953)
Show SMILES CCCCNc1nc(N)nc(C)c1CCCN1CCCCCC1
Show InChI InChI=1S/C18H33N5/c1-3-4-11-20-17-16(15(2)21-18(19)22-17)10-9-14-23-12-7-5-6-8-13-23/h3-14H2,1-2H3,(H3,19,20,21,22)
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n/an/an/an/a 178n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at human TLR8 expressed in HEK293 cells co-expressing secreted alkaline phosphatase assessed as induction of NF-kappaB/AP-1 promoter...


J Med Chem 60: 2084-2098 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01860
BindingDB Entry DOI: 10.7270/Q27083QG
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50236177
PNG
(CHEMBL4069818)
Show SMILES CCCCNc1nc(N)nc(C)c1CCCN(C)CCOC
Show InChI InChI=1S/C16H31N5O/c1-5-6-9-18-15-14(13(2)19-16(17)20-15)8-7-10-21(3)11-12-22-4/h5-12H2,1-4H3,(H3,17,18,19,20)
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n/an/an/an/a 1.24E+3n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at human TLR7 expressed in HEK293 cells co-expressing secreted alkaline phosphatase assessed as induction of NF-kappaB/AP-1 promoter...


J Med Chem 60: 2084-2098 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01860
BindingDB Entry DOI: 10.7270/Q27083QG
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50236179
PNG
(CHEMBL4092273)
Show SMILES CCCCNc1nc(N)nc(C)c1CCCN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C22H34N6/c1-3-4-12-24-21-20(18(2)25-22(23)26-21)11-8-13-27-14-16-28(17-15-27)19-9-6-5-7-10-19/h5-7,9-10H,3-4,8,11-17H2,1-2H3,(H3,23,24,25,26)
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n/an/an/an/a 1.16E+3n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at human TLR7 expressed in HEK293 cells co-expressing secreted alkaline phosphatase assessed as induction of NF-kappaB/AP-1 promoter...


J Med Chem 60: 2084-2098 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01860
BindingDB Entry DOI: 10.7270/Q27083QG
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50236191
PNG
(CHEMBL4083025)
Show SMILES CCCCNc1nc(N)nc(C)c1CCCN1CCSCC1
Show InChI InChI=1S/C16H29N5S/c1-3-4-7-18-15-14(13(2)19-16(17)20-15)6-5-8-21-9-11-22-12-10-21/h3-12H2,1-2H3,(H3,17,18,19,20)
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n/an/an/an/a 714n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at human TLR7 expressed in HEK293 cells co-expressing secreted alkaline phosphatase assessed as induction of NF-kappaB/AP-1 promoter...


J Med Chem 60: 2084-2098 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01860
BindingDB Entry DOI: 10.7270/Q27083QG
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM50236174
PNG
(CHEMBL4062920)
Show SMILES CCCCNc1nc(N)nc(C)c1CCC(C)(C)O
Show InChI InChI=1S/C14H26N4O/c1-5-6-9-16-12-11(7-8-14(3,4)19)10(2)17-13(15)18-12/h19H,5-9H2,1-4H3,(H3,15,16,17,18)
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n/an/an/an/a 3.14E+3n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at human TLR8 expressed in HEK293 cells co-expressing secreted alkaline phosphatase assessed as induction of NF-kappaB/AP-1 promoter...


J Med Chem 60: 2084-2098 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01860
BindingDB Entry DOI: 10.7270/Q27083QG
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM50236177
PNG
(CHEMBL4069818)
Show SMILES CCCCNc1nc(N)nc(C)c1CCCN(C)CCOC
Show InChI InChI=1S/C16H31N5O/c1-5-6-9-18-15-14(13(2)19-16(17)20-15)8-7-10-21(3)11-12-22-4/h5-12H2,1-4H3,(H3,17,18,19,20)
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n/an/an/an/a 203n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at human TLR8 expressed in HEK293 cells co-expressing secreted alkaline phosphatase assessed as induction of NF-kappaB/AP-1 promoter...


J Med Chem 60: 2084-2098 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01860
BindingDB Entry DOI: 10.7270/Q27083QG
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50236161
PNG
(CHEMBL4078964)
Show SMILES CCCCNc1nc(N)nc(C)c1CC
Show InChI InChI=1S/C11H20N4/c1-4-6-7-13-10-9(5-2)8(3)14-11(12)15-10/h4-7H2,1-3H3,(H3,12,13,14,15)
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n/an/an/an/a 1.27E+3n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at human TLR7 expressed in HEK293 cells co-expressing secreted alkaline phosphatase assessed as induction of NF-kappaB/AP-1 promoter...


J Med Chem 60: 2084-2098 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01860
BindingDB Entry DOI: 10.7270/Q27083QG
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM50236179
PNG
(CHEMBL4092273)
Show SMILES CCCCNc1nc(N)nc(C)c1CCCN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C22H34N6/c1-3-4-12-24-21-20(18(2)25-22(23)26-21)11-8-13-27-14-16-28(17-15-27)19-9-6-5-7-10-19/h5-7,9-10H,3-4,8,11-17H2,1-2H3,(H3,23,24,25,26)
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n/an/an/an/a 92n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at human TLR8 expressed in HEK293 cells co-expressing secreted alkaline phosphatase assessed as induction of NF-kappaB/AP-1 promoter...


J Med Chem 60: 2084-2098 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01860
BindingDB Entry DOI: 10.7270/Q27083QG
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM50236191
PNG
(CHEMBL4083025)
Show SMILES CCCCNc1nc(N)nc(C)c1CCCN1CCSCC1
Show InChI InChI=1S/C16H29N5S/c1-3-4-7-18-15-14(13(2)19-16(17)20-15)6-5-8-21-9-11-22-12-10-21/h3-12H2,1-2H3,(H3,17,18,19,20)
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n/an/an/an/a 167n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at human TLR8 expressed in HEK293 cells co-expressing secreted alkaline phosphatase assessed as induction of NF-kappaB/AP-1 promoter...


J Med Chem 60: 2084-2098 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01860
BindingDB Entry DOI: 10.7270/Q27083QG
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM50236178
PNG
(CHEMBL4061978)
Show SMILES CCCCNc1nc(N)nc(C)c1CCCN1CCCCC1
Show InChI InChI=1S/C17H31N5/c1-3-4-10-19-16-15(14(2)20-17(18)21-16)9-8-13-22-11-6-5-7-12-22/h3-13H2,1-2H3,(H3,18,19,20,21)
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n/an/an/an/a 133n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at human TLR8 expressed in HEK293 cells co-expressing secreted alkaline phosphatase assessed as induction of NF-kappaB/AP-1 promoter...


J Med Chem 60: 2084-2098 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01860
BindingDB Entry DOI: 10.7270/Q27083QG
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM50236188
PNG
(CHEMBL4071479)
Show SMILES CCCCNc1nc(N)nc(C)c1CCCN1CCN(C)CC1
Show InChI InChI=1S/C17H32N6/c1-4-5-8-19-16-15(14(2)20-17(18)21-16)7-6-9-23-12-10-22(3)11-13-23/h4-13H2,1-3H3,(H3,18,19,20,21)
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n/an/an/an/a 179n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at human TLR8 expressed in HEK293 cells co-expressing secreted alkaline phosphatase assessed as induction of NF-kappaB/AP-1 promoter...


J Med Chem 60: 2084-2098 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01860
BindingDB Entry DOI: 10.7270/Q27083QG
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM50236151
PNG
(CHEMBL4078632)
Show SMILES CCCCNc1nc(N)nc(C)c1CCCN(C)C
Show InChI InChI=1S/C14H27N5/c1-5-6-9-16-13-12(8-7-10-19(3)4)11(2)17-14(15)18-13/h5-10H2,1-4H3,(H3,15,16,17,18)
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n/an/an/an/a 126n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at human TLR8 expressed in HEK293 cells co-expressing secreted alkaline phosphatase assessed as induction of NF-kappaB/AP-1 promoter...


J Med Chem 60: 2084-2098 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01860
BindingDB Entry DOI: 10.7270/Q27083QG
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50236178
PNG
(CHEMBL4061978)
Show SMILES CCCCNc1nc(N)nc(C)c1CCCN1CCCCC1
Show InChI InChI=1S/C17H31N5/c1-3-4-10-19-16-15(14(2)20-17(18)21-16)9-8-13-22-11-6-5-7-12-22/h3-13H2,1-2H3,(H3,18,19,20,21)
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n/an/an/an/a 710n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at human TLR7 expressed in HEK293 cells co-expressing secreted alkaline phosphatase assessed as induction of NF-kappaB/AP-1 promoter...


J Med Chem 60: 2084-2098 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01860
BindingDB Entry DOI: 10.7270/Q27083QG
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50236162
PNG
(CHEMBL4103230)
Show SMILES CCCCNc1nc(N)nc(C)c1CCCC
Show InChI InChI=1S/C13H24N4/c1-4-6-8-11-10(3)16-13(14)17-12(11)15-9-7-5-2/h4-9H2,1-3H3,(H3,14,15,16,17)
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n/an/an/an/a 590n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at human TLR7 expressed in HEK293 cells co-expressing secreted alkaline phosphatase assessed as induction of NF-kappaB/AP-1 promoter...


J Med Chem 60: 2084-2098 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01860
BindingDB Entry DOI: 10.7270/Q27083QG
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50236174
PNG
(CHEMBL4062920)
Show SMILES CCCCNc1nc(N)nc(C)c1CCC(C)(C)O
Show InChI InChI=1S/C14H26N4O/c1-5-6-9-16-12-11(7-8-14(3,4)19)10(2)17-13(15)18-12/h19H,5-9H2,1-4H3,(H3,15,16,17,18)
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n/an/an/an/a 3.26E+3n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at human TLR7 expressed in HEK293 cells co-expressing secreted alkaline phosphatase assessed as induction of NF-kappaB/AP-1 promoter...


J Med Chem 60: 2084-2098 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01860
BindingDB Entry DOI: 10.7270/Q27083QG
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM50236143
PNG
(CHEMBL4101270)
Show SMILES CCCCNc1nc(N)nc(C)c1CCCn1cncn1
Show InChI InChI=1S/C14H23N7/c1-3-4-7-17-13-12(11(2)19-14(15)20-13)6-5-8-21-10-16-9-18-21/h9-10H,3-8H2,1-2H3,(H3,15,17,19,20)
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n/an/an/an/a 1.05E+3n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at human TLR8 expressed in HEK293 cells co-expressing secreted alkaline phosphatase assessed as induction of NF-kappaB/AP-1 promoter...


J Med Chem 60: 2084-2098 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01860
BindingDB Entry DOI: 10.7270/Q27083QG
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50236157
PNG
(CHEMBL4063952)
Show SMILES CCCCNc1nc(N)nc(C)c1CCCCN1CCOCC1
Show InChI InChI=1S/C17H31N5O/c1-3-4-8-19-16-15(14(2)20-17(18)21-16)7-5-6-9-22-10-12-23-13-11-22/h3-13H2,1-2H3,(H3,18,19,20,21)
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n/an/an/an/a 1.40E+3n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at human TLR7 expressed in HEK293 cells co-expressing secreted alkaline phosphatase assessed as induction of NF-kappaB/AP-1 promoter...


J Med Chem 60: 2084-2098 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01860
BindingDB Entry DOI: 10.7270/Q27083QG
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50236175
PNG
(CHEMBL4088953)
Show SMILES CCCCNc1nc(N)nc(C)c1CCCN1CCCCCC1
Show InChI InChI=1S/C18H33N5/c1-3-4-11-20-17-16(15(2)21-18(19)22-17)10-9-14-23-12-7-5-6-8-13-23/h3-14H2,1-2H3,(H3,19,20,21,22)
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n/an/an/an/a 730n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at human TLR7 expressed in HEK293 cells co-expressing secreted alkaline phosphatase assessed as induction of NF-kappaB/AP-1 promoter...


J Med Chem 60: 2084-2098 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01860
BindingDB Entry DOI: 10.7270/Q27083QG
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50236163
PNG
(CHEMBL4101040)
Show SMILES CCCCCc1c(C)nc(N)nc1NCCCC
Show InChI InChI=1S/C14H26N4/c1-4-6-8-9-12-11(3)17-14(15)18-13(12)16-10-7-5-2/h4-10H2,1-3H3,(H3,15,16,17,18)
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n/an/an/an/a 510n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at human TLR7 expressed in HEK293 cells co-expressing secreted alkaline phosphatase assessed as induction of NF-kappaB/AP-1 promoter...


J Med Chem 60: 2084-2098 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01860
BindingDB Entry DOI: 10.7270/Q27083QG
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50236145
PNG
(CHEMBL4103710)
Show SMILES CCCCNc1nc(N)nc(C)c1CCCc1ccccc1
Show InChI InChI=1S/C18H26N4/c1-3-4-13-20-17-16(14(2)21-18(19)22-17)12-8-11-15-9-6-5-7-10-15/h5-7,9-10H,3-4,8,11-13H2,1-2H3,(H3,19,20,21,22)
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n/an/an/an/a 194n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at human TLR7 expressed in HEK293 cells co-expressing secreted alkaline phosphatase assessed as induction of NF-kappaB/AP-1 promoter...


J Med Chem 60: 2084-2098 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01860
BindingDB Entry DOI: 10.7270/Q27083QG
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50236146
PNG
(CHEMBL4085784)
Show SMILES CCCCNc1nc(N)nc(C)c1CCCCc1ccccc1
Show InChI InChI=1S/C19H28N4/c1-3-4-14-21-18-17(15(2)22-19(20)23-18)13-9-8-12-16-10-6-5-7-11-16/h5-7,10-11H,3-4,8-9,12-14H2,1-2H3,(H3,20,21,22,23)
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n/an/an/an/a 262n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at human TLR7 expressed in HEK293 cells co-expressing secreted alkaline phosphatase assessed as induction of NF-kappaB/AP-1 promoter...


J Med Chem 60: 2084-2098 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01860
BindingDB Entry DOI: 10.7270/Q27083QG
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50236143
PNG
(CHEMBL4101270)
Show SMILES CCCCNc1nc(N)nc(C)c1CCCn1cncn1
Show InChI InChI=1S/C14H23N7/c1-3-4-7-17-13-12(11(2)19-14(15)20-13)6-5-8-21-10-16-9-18-21/h9-10H,3-8H2,1-2H3,(H3,15,17,19,20)
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n/an/an/an/a 1.16E+3n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at human TLR7 expressed in HEK293 cells co-expressing secreted alkaline phosphatase assessed as induction of NF-kappaB/AP-1 promoter...


J Med Chem 60: 2084-2098 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01860
BindingDB Entry DOI: 10.7270/Q27083QG
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM50236144
PNG
(CHEMBL4089935)
Show SMILES CCCCNc1nc(N)nc(C)c1CCc1ccccc1
Show InChI InChI=1S/C17H24N4/c1-3-4-12-19-16-15(13(2)20-17(18)21-16)11-10-14-8-6-5-7-9-14/h5-9H,3-4,10-12H2,1-2H3,(H3,18,19,20,21)
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n/an/an/an/a 1.19E+3n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at human TLR8 expressed in HEK293 cells co-expressing secreted alkaline phosphatase assessed as induction of NF-kappaB/AP-1 promoter...


J Med Chem 60: 2084-2098 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01860
BindingDB Entry DOI: 10.7270/Q27083QG
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM50236145
PNG
(CHEMBL4103710)
Show SMILES CCCCNc1nc(N)nc(C)c1CCCc1ccccc1
Show InChI InChI=1S/C18H26N4/c1-3-4-13-20-17-16(14(2)21-18(19)22-17)12-8-11-15-9-6-5-7-10-15/h5-7,9-10H,3-4,8,11-13H2,1-2H3,(H3,19,20,21,22)
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n/an/an/an/a 749n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at human TLR8 expressed in HEK293 cells co-expressing secreted alkaline phosphatase assessed as induction of NF-kappaB/AP-1 promoter...


J Med Chem 60: 2084-2098 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01860
BindingDB Entry DOI: 10.7270/Q27083QG
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM50236146
PNG
(CHEMBL4085784)
Show SMILES CCCCNc1nc(N)nc(C)c1CCCCc1ccccc1
Show InChI InChI=1S/C19H28N4/c1-3-4-14-21-18-17(15(2)22-19(20)23-18)13-9-8-12-16-10-6-5-7-11-16/h5-7,10-11H,3-4,8-9,12-14H2,1-2H3,(H3,20,21,22,23)
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n/an/an/an/a 857n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at human TLR8 expressed in HEK293 cells co-expressing secreted alkaline phosphatase assessed as induction of NF-kappaB/AP-1 promoter...


J Med Chem 60: 2084-2098 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01860
BindingDB Entry DOI: 10.7270/Q27083QG
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM50236147
PNG
(CHEMBL4095966)
Show SMILES CCCCNc1nc(N)nc(C)c1CCCCCc1ccccc1
Show InChI InChI=1S/C20H30N4/c1-3-4-15-22-19-18(16(2)23-20(21)24-19)14-10-6-9-13-17-11-7-5-8-12-17/h5,7-8,11-12H,3-4,6,9-10,13-15H2,1-2H3,(H3,21,22,23,24)
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n/an/an/an/a 830n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at human TLR8 expressed in HEK293 cells co-expressing secreted alkaline phosphatase assessed as induction of NF-kappaB/AP-1 promoter...


J Med Chem 60: 2084-2098 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01860
BindingDB Entry DOI: 10.7270/Q27083QG
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50236148
PNG
(CHEMBL4065927)
Show SMILES CCCCNc1nc(N)nc(C)c1CCCn1ccc2ccccc12
Show InChI InChI=1S/C20H27N5/c1-3-4-12-22-19-17(15(2)23-20(21)24-19)9-7-13-25-14-11-16-8-5-6-10-18(16)25/h5-6,8,10-11,14H,3-4,7,9,12-13H2,1-2H3,(H3,21,22,23,24)
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n/an/an/an/a 140n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at human TLR7 expressed in HEK293 cells co-expressing secreted alkaline phosphatase assessed as induction of NF-kappaB/AP-1 promoter...


J Med Chem 60: 2084-2098 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01860
BindingDB Entry DOI: 10.7270/Q27083QG
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50236149
PNG
(CHEMBL4093530)
Show SMILES CCCCNc1nc(N)nc(C)c1CCCn1c(C)nc2ccccc12
Show InChI InChI=1S/C20H28N6/c1-4-5-12-22-19-16(14(2)23-20(21)25-19)9-8-13-26-15(3)24-17-10-6-7-11-18(17)26/h6-7,10-11H,4-5,8-9,12-13H2,1-3H3,(H3,21,22,23,25)
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n/an/an/an/a 379n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at human TLR7 expressed in HEK293 cells co-expressing secreted alkaline phosphatase assessed as induction of NF-kappaB/AP-1 promoter...


J Med Chem 60: 2084-2098 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01860
BindingDB Entry DOI: 10.7270/Q27083QG
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50236151
PNG
(CHEMBL4078632)
Show SMILES CCCCNc1nc(N)nc(C)c1CCCN(C)C
Show InChI InChI=1S/C14H27N5/c1-5-6-9-16-13-12(8-7-10-19(3)4)11(2)17-14(15)18-13/h5-10H2,1-4H3,(H3,15,16,17,18)
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n/an/an/an/a 958n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at human TLR7 expressed in HEK293 cells co-expressing secreted alkaline phosphatase assessed as induction of NF-kappaB/AP-1 promoter...


J Med Chem 60: 2084-2098 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01860
BindingDB Entry DOI: 10.7270/Q27083QG
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50236153
PNG
(CHEMBL4104376)
Show SMILES Cl.Cl.Cl.CCCCNc1nc(N)nc(C)c1CCCN1CCNCC1
Show InChI InChI=1S/C16H30N6/c1-3-4-7-19-15-14(13(2)20-16(17)21-15)6-5-10-22-11-8-18-9-12-22/h18H,3-12H2,1-2H3,(H3,17,19,20,21)
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n/an/an/an/a 1.64E+3n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at human TLR7 expressed in HEK293 cells co-expressing secreted alkaline phosphatase assessed as induction of NF-kappaB/AP-1 promoter...


J Med Chem 60: 2084-2098 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01860
BindingDB Entry DOI: 10.7270/Q27083QG
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM50236154
PNG
(CHEMBL4096648)
Show SMILES CCCCNc1nc(N)nc(C)c1CCCN(CC)CC
Show InChI InChI=1S/C16H31N5/c1-5-8-11-18-15-14(13(4)19-16(17)20-15)10-9-12-21(6-2)7-3/h5-12H2,1-4H3,(H3,17,18,19,20)
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n/an/an/an/a 254n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at human TLR8 expressed in HEK293 cells co-expressing secreted alkaline phosphatase assessed as induction of NF-kappaB/AP-1 promoter...


J Med Chem 60: 2084-2098 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01860
BindingDB Entry DOI: 10.7270/Q27083QG
More data for this
Ligand-Target Pair
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