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PubMed code 27513008

Compile data set for download or QSAR
Found 16 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 8


(Homo sapiens (Human))
BDBM50533629
PNG
(CHEMBL4461014)
Show SMILES CCCCCNc1nc(N)nc(C)c1I
Show InChI InChI=1S/C10H17IN4/c1-3-4-5-6-13-9-8(11)7(2)14-10(12)15-9/h3-6H2,1-2H3,(H3,12,13,14,15)
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n/an/an/an/a 3.70E+3n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at human TLR8 expressed in HEK293 cells assessed as induction of NF-kappaB activity by secreted alkaline phosphatase reporter gene a...


J Med Chem 59: 8082-93 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00872
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM50533638
PNG
(CHEMBL4540822)
Show SMILES Cl.Cl.CCCCNc1nc(N)nc(c1CCCCN)-c1ccccc1
Show InChI InChI=1S/C18H27N5.2ClH/c1-2-3-13-21-17-15(11-7-8-12-19)16(22-18(20)23-17)14-9-5-4-6-10-14;;/h4-6,9-10H,2-3,7-8,11-13,19H2,1H3,(H3,20,21,22,23);2*1H
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n/an/an/an/a 2.70E+3n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at human TLR8 expressed in HEK293 cells assessed as induction of NF-kappaB activity by secreted alkaline phosphatase reporter gene a...


J Med Chem 59: 8082-93 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00872
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM50533634
PNG
(CHEMBL4476776)
Show SMILES Cl.Cl.CCCCNc1nc(N)nc(C)c1CCCN
Show InChI InChI=1S/C12H23N5.2ClH/c1-3-4-8-15-11-10(6-5-7-13)9(2)16-12(14)17-11;;/h3-8,13H2,1-2H3,(H3,14,15,16,17);2*1H
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n/an/an/an/a 2.31E+3n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at human TLR8 expressed in HEK293 cells assessed as induction of NF-kappaB activity by secreted alkaline phosphatase reporter gene a...


J Med Chem 59: 8082-93 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00872
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM50533640
PNG
(CHEMBL4587407)
Show SMILES CCCCNc1nc(N)nc(C)c1Cl
Show InChI InChI=1S/C9H15ClN4/c1-3-4-5-12-8-7(10)6(2)13-9(11)14-8/h3-5H2,1-2H3,(H3,11,12,13,14)
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n/an/an/an/a 2.00E+4n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at human TLR8 expressed in HEK293 cells assessed as induction of NF-kappaB activity by secreted alkaline phosphatase reporter gene a...


J Med Chem 59: 8082-93 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00872
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM50533637
PNG
(CHEMBL4522643)
Show SMILES Cl.Cl.CCCCNc1nc(N)nc(C)c1CCCCN
Show InChI InChI=1S/C13H25N5.2ClH/c1-3-4-9-16-12-11(7-5-6-8-14)10(2)17-13(15)18-12;;/h3-9,14H2,1-2H3,(H3,15,16,17,18);2*1H
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n/an/an/an/a 300n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at human TLR8 expressed in HEK293 cells assessed as induction of NF-kappaB activity by secreted alkaline phosphatase reporter gene a...


J Med Chem 59: 8082-93 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00872
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM50533628
PNG
(CHEMBL4453103)
Show SMILES CCCCNc1cc(C)nc(N)n1
Show InChI InChI=1S/C9H16N4/c1-3-4-5-11-8-6-7(2)12-9(10)13-8/h6H,3-5H2,1-2H3,(H3,10,11,12,13)
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n/an/an/an/a 2.20E+4n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at human TLR8 expressed in HEK293 cells assessed as induction of NF-kappaB activity by secreted alkaline phosphatase reporter gene a...


J Med Chem 59: 8082-93 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00872
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM50533633
PNG
(CHEMBL4437744)
Show SMILES Cl.Cl.CCCCNc1nc(N)nc(C)c1CCCCCN
Show InChI InChI=1S/C14H27N5.2ClH/c1-3-4-10-17-13-12(8-6-5-7-9-15)11(2)18-14(16)19-13;;/h3-10,15H2,1-2H3,(H3,16,17,18,19);2*1H
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n/an/an/an/a 300n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at human TLR8 expressed in HEK293 cells assessed as induction of NF-kappaB activity by secreted alkaline phosphatase reporter gene a...


J Med Chem 59: 8082-93 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00872
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM50533635
PNG
(CHEMBL4436852)
Show SMILES CCCCNc1ccnc(N)n1
Show InChI InChI=1S/C8H14N4/c1-2-3-5-10-7-4-6-11-8(9)12-7/h4,6H,2-3,5H2,1H3,(H3,9,10,11,12)
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n/an/an/an/a 7.32E+4n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at human TLR8 expressed in HEK293 cells assessed as induction of NF-kappaB activity by secreted alkaline phosphatase reporter gene a...


J Med Chem 59: 8082-93 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00872
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM50056698
PNG
(CHEMBL3326930)
Show SMILES CCCCCn1c(N)nc2c(C)cccc12
Show InChI InChI=1S/C13H19N3/c1-3-4-5-9-16-11-8-6-7-10(2)12(11)15-13(16)14/h6-8H,3-5,9H2,1-2H3,(H2,14,15)
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n/an/an/an/a 1.80E+3n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at human TLR8 expressed in HEK293 cells assessed as induction of NF-kappaB activity by secreted alkaline phosphatase reporter gene a...


J Med Chem 59: 8082-93 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00872
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM50533636
PNG
(CHEMBL4522048)
Show SMILES CCCCNc1nc(N)nc(C)c1F
Show InChI InChI=1S/C9H15FN4/c1-3-4-5-12-8-7(10)6(2)13-9(11)14-8/h3-5H2,1-2H3,(H3,11,12,13,14)
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n/an/an/an/a 3.40E+4n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at human TLR8 expressed in HEK293 cells assessed as induction of NF-kappaB activity by secreted alkaline phosphatase reporter gene a...


J Med Chem 59: 8082-93 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00872
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 assessed as induction of NF-kappaB activity by secreted alkaline phosphatase reporter gene a...


J Med Chem 59: 8082-93 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00872
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM50533632
PNG
(CHEMBL4574891)
Show SMILES CCCCNc1cc(nc(N)n1)-c1ccccc1
Show InChI InChI=1S/C14H18N4/c1-2-3-9-16-13-10-12(17-14(15)18-13)11-7-5-4-6-8-11/h4-8,10H,2-3,9H2,1H3,(H3,15,16,17,18)
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n/an/an/an/a 6.70E+3n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at human TLR8 expressed in HEK293 cells assessed as induction of NF-kappaB activity by secreted alkaline phosphatase reporter gene a...


J Med Chem 59: 8082-93 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00872
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM50533637
PNG
(CHEMBL4522643)
Show SMILES Cl.Cl.CCCCNc1nc(N)nc(C)c1CCCCN
Show InChI InChI=1S/C13H25N5.2ClH/c1-3-4-9-16-12-11(7-5-6-8-14)10(2)17-13(15)18-12;;/h3-9,14H2,1-2H3,(H3,15,16,17,18);2*1H
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n/an/an/an/a 9.26E+3n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at TLR8 in human PBMC assessed as increase in TNF-alpha production after 16 hrs by immunoassay


J Med Chem 59: 8082-93 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00872
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM50533639
PNG
(CHEMBL4549806)
Show SMILES CCCCNc1nc(N)nc(C)c1Br
Show InChI InChI=1S/C9H15BrN4/c1-3-4-5-12-8-7(10)6(2)13-9(11)14-8/h3-5H2,1-2H3,(H3,11,12,13,14)
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n/an/an/an/a 8.50E+3n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at human TLR8 expressed in HEK293 cells assessed as induction of NF-kappaB activity by secreted alkaline phosphatase reporter gene a...


J Med Chem 59: 8082-93 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00872
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM50533631
PNG
(CHEMBL4519382)
Show SMILES CCCCNc1nc(N)nc(c1CCCCCN)-c1ccccc1
Show InChI InChI=1S/C19H29N5/c1-2-3-14-22-18-16(12-8-5-9-13-20)17(23-19(21)24-18)15-10-6-4-7-11-15/h4,6-7,10-11H,2-3,5,8-9,12-14,20H2,1H3,(H3,21,22,23,24)
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n/an/an/an/a 2.35E+3n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at human TLR8 expressed in HEK293 cells assessed as induction of NF-kappaB activity by secreted alkaline phosphatase reporter gene a...


J Med Chem 59: 8082-93 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00872
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM50533630
PNG
(CHEMBL4533649)
Show SMILES CCCCNc1nc(N)nc(C)c1I
Show InChI InChI=1S/C9H15IN4/c1-3-4-5-12-8-7(10)6(2)13-9(11)14-8/h3-5H2,1-2H3,(H3,11,12,13,14)
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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 TLR8 expressed in HEK293 cells assessed as induction of NF-kappaB activity by secreted alkaline phosphatase reporter gene a...


J Med Chem 59: 8082-93 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00872
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%