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PubMed code 22924757

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))
BDBM50398250
PNG
(CHEMBL2177887)
Show SMILES C[C@H](Nc1oc2c(C)ncc(CO)c2c1Nc1ccccn1)c1ccccc1
Show InChI InChI=1S/C22H22N4O2/c1-14(16-8-4-3-5-9-16)25-22-20(26-18-10-6-7-11-23-18)19-17(13-27)12-24-15(2)21(19)28-22/h3-12,14,25,27H,13H2,1-2H3,(H,23,26)/t14-/m0/s1
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n/an/an/an/a 4.27E+3n/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Agonist activity at human TLR8 expressed in HEK293 cells assessed as induction of NF-kappaB activity by measuring extracellular secreted alkaline pho...


J Med Chem 55: 8137-51 (2012)


Article DOI: 10.1021/jm301066h
BindingDB Entry DOI: 10.7270/Q21N827G
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM50398249
PNG
(CHEMBL2177864)
Show SMILES CCCCCNc1oc2c(C)ncc(CO)c2c1Nc1ccccc1
Show InChI InChI=1S/C20H25N3O2/c1-3-4-8-11-21-20-18(23-16-9-6-5-7-10-16)17-15(13-24)12-22-14(2)19(17)25-20/h5-7,9-10,12,21,23-24H,3-4,8,11,13H2,1-2H3
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n/an/an/an/a 2.25E+3n/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Agonist activity at human TLR8 expressed in HEK293 cells assessed as induction of NF-kappaB activity by measuring extracellular secreted alkaline pho...


J Med Chem 55: 8137-51 (2012)


Article DOI: 10.1021/jm301066h
BindingDB Entry DOI: 10.7270/Q21N827G
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM50398256
PNG
(CHEMBL2177874)
Show SMILES Cc1ncc(CO)c2c(Nc3ccccc3)c(NCc3ccccc3)oc12
Show InChI InChI=1S/C22H21N3O2/c1-15-21-19(17(14-26)13-23-15)20(25-18-10-6-3-7-11-18)22(27-21)24-12-16-8-4-2-5-9-16/h2-11,13,24-26H,12,14H2,1H3
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n/an/an/an/a 1.68E+3n/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Agonist activity at human TLR8 expressed in HEK293 cells assessed as induction of NF-kappaB activity by measuring extracellular secreted alkaline pho...


J Med Chem 55: 8137-51 (2012)


Article DOI: 10.1021/jm301066h
BindingDB Entry DOI: 10.7270/Q21N827G
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM50398255
PNG
(CHEMBL2177875)
Show SMILES CCCCNc1oc2c(C)ncc(CO)c2c1Nc1ccccn1
Show InChI InChI=1S/C18H22N4O2/c1-3-4-8-20-18-16(22-14-7-5-6-9-19-14)15-13(11-23)10-21-12(2)17(15)24-18/h5-7,9-10,20,23H,3-4,8,11H2,1-2H3,(H,19,22)
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n/an/an/an/a 9.38E+3n/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Agonist activity at human TLR8 expressed in HEK293 cells assessed as induction of NF-kappaB activity by measuring extracellular secreted alkaline pho...


J Med Chem 55: 8137-51 (2012)


Article DOI: 10.1021/jm301066h
BindingDB Entry DOI: 10.7270/Q21N827G
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM50398247
PNG
(CHEMBL2177866)
Show SMILES CCCCCNc1oc2c(C)ncc(CO)c2c1Nc1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C20H24N4O4/c1-3-4-5-9-21-20-18(23-15-7-6-8-16(10-15)24(26)27)17-14(12-25)11-22-13(2)19(17)28-20/h6-8,10-11,21,23,25H,3-5,9,12H2,1-2H3
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n/an/an/an/a 850n/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Agonist activity at human TLR8 expressed in HEK293 cells assessed as induction of NF-kappaB activity by measuring extracellular secreted alkaline pho...


J Med Chem 55: 8137-51 (2012)


Article DOI: 10.1021/jm301066h
BindingDB Entry DOI: 10.7270/Q21N827G
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM50398259
PNG
(CHEMBL2177870)
Show SMILES Cc1ncc(CO)c2c(Nc3cnccn3)c(NC3CCCCC3)oc12
Show InChI InChI=1S/C19H23N5O2/c1-12-18-16(13(11-25)9-22-12)17(24-15-10-20-7-8-21-15)19(26-18)23-14-5-3-2-4-6-14/h7-10,14,23,25H,2-6,11H2,1H3,(H,21,24)
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n/an/an/an/a 1.06E+4n/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Agonist activity at human TLR8 expressed in HEK293 cells assessed as induction of NF-kappaB activity by measuring extracellular secreted alkaline pho...


J Med Chem 55: 8137-51 (2012)


Article DOI: 10.1021/jm301066h
BindingDB Entry DOI: 10.7270/Q21N827G
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM50398260
PNG
(CHEMBL2177869)
Show SMILES Cc1ncc(CO)c2c(Nc3ccccn3)c(NC3CCCCC3)oc12
Show InChI InChI=1S/C20H24N4O2/c1-13-19-17(14(12-25)11-22-13)18(24-16-9-5-6-10-21-16)20(26-19)23-15-7-3-2-4-8-15/h5-6,9-11,15,23,25H,2-4,7-8,12H2,1H3,(H,21,24)
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n/an/an/an/a 6.93E+3n/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Agonist activity at human TLR8 expressed in HEK293 cells assessed as induction of NF-kappaB activity by measuring extracellular secreted alkaline pho...


J Med Chem 55: 8137-51 (2012)


Article DOI: 10.1021/jm301066h
BindingDB Entry DOI: 10.7270/Q21N827G
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM50398252
PNG
(CHEMBL2177880)
Show SMILES Cc1ncc(CO)c2c(Nc3ccccn3)c(NC[Si](C)(C)C)oc12
Show InChI InChI=1S/C18H24N4O2Si/c1-12-17-15(13(10-23)9-20-12)16(22-14-7-5-6-8-19-14)18(24-17)21-11-25(2,3)4/h5-9,21,23H,10-11H2,1-4H3,(H,19,22)
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n/an/an/an/a 4.99E+3n/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Agonist activity at human TLR8 expressed in HEK293 cells assessed as induction of NF-kappaB activity by measuring extracellular secreted alkaline pho...


J Med Chem 55: 8137-51 (2012)


Article DOI: 10.1021/jm301066h
BindingDB Entry DOI: 10.7270/Q21N827G
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM50398258
PNG
(CHEMBL2177871)
Show SMILES Cc1ncc(CO)c2c(Nc3ccccn3)c(NCc3ccccc3)oc12
Show InChI InChI=1S/C21H20N4O2/c1-14-20-18(16(13-26)12-23-14)19(25-17-9-5-6-10-22-17)21(27-20)24-11-15-7-3-2-4-8-15/h2-10,12,24,26H,11,13H2,1H3,(H,22,25)
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n/an/an/an/a 4.91E+3n/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Agonist activity at human TLR8 expressed in HEK293 cells assessed as induction of NF-kappaB activity by measuring extracellular secreted alkaline pho...


J Med Chem 55: 8137-51 (2012)


Article DOI: 10.1021/jm301066h
BindingDB Entry DOI: 10.7270/Q21N827G
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM50398248
PNG
(CHEMBL2177865)
Show SMILES CCCCCNc1oc2c(C)ncc(CO)c2c1Nc1cccc(F)c1
Show InChI InChI=1S/C20H24FN3O2/c1-3-4-5-9-22-20-18(24-16-8-6-7-15(21)10-16)17-14(12-25)11-23-13(2)19(17)26-20/h6-8,10-11,22,24-25H,3-5,9,12H2,1-2H3
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n/an/an/an/a 370n/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Agonist activity at human TLR8 expressed in HEK293 cells assessed as induction of NF-kappaB activity by measuring extracellular secreted alkaline pho...


J Med Chem 55: 8137-51 (2012)


Article DOI: 10.1021/jm301066h
BindingDB Entry DOI: 10.7270/Q21N827G
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM50398251
PNG
(CHEMBL2177883)
Show SMILES Cc1ncc(CO)c2c(Nc3ccccn3)c(NCCC(=O)OC(C)(C)C)oc12
Show InChI InChI=1S/C21H26N4O4/c1-13-19-17(14(12-26)11-24-13)18(25-15-7-5-6-9-22-15)20(28-19)23-10-8-16(27)29-21(2,3)4/h5-7,9,11,23,26H,8,10,12H2,1-4H3,(H,22,25)
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n/an/an/an/a 7.64E+3n/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Agonist activity at human TLR8 expressed in HEK293 cells assessed as induction of NF-kappaB activity by measuring extracellular secreted alkaline pho...


J Med Chem 55: 8137-51 (2012)


Article DOI: 10.1021/jm301066h
BindingDB Entry DOI: 10.7270/Q21N827G
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM50398254
PNG
(CHEMBL2177876)
Show SMILES CCCCCNc1oc2c(C)ncc(CO)c2c1Nc1ccccn1
Show InChI InChI=1S/C19H24N4O2/c1-3-4-6-10-21-19-17(23-15-8-5-7-9-20-15)16-14(12-24)11-22-13(2)18(16)25-19/h5,7-9,11,21,24H,3-4,6,10,12H2,1-2H3,(H,20,23)
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n/an/an/an/a 5.81E+3n/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Agonist activity at human TLR8 expressed in HEK293 cells assessed as induction of NF-kappaB activity by measuring extracellular secreted alkaline pho...


J Med Chem 55: 8137-51 (2012)


Article DOI: 10.1021/jm301066h
BindingDB Entry DOI: 10.7270/Q21N827G
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM50398257
PNG
(CHEMBL2177872)
Show SMILES Cc1ncc(CO)c2c(Nc3cnccn3)c(NCc3ccccc3)oc12
Show InChI InChI=1S/C20H19N5O2/c1-13-19-17(15(12-26)10-23-13)18(25-16-11-21-7-8-22-16)20(27-19)24-9-14-5-3-2-4-6-14/h2-8,10-11,24,26H,9,12H2,1H3,(H,22,25)
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n/an/an/an/a 9.79E+3n/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Agonist activity at human TLR8 expressed in HEK293 cells assessed as induction of NF-kappaB activity by measuring extracellular secreted alkaline pho...


J Med Chem 55: 8137-51 (2012)


Article DOI: 10.1021/jm301066h
BindingDB Entry DOI: 10.7270/Q21N827G
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM50398245
PNG
(CHEMBL512901 | CL-075)
Show SMILES CCCc1nc2c(N)nc3ccccc3c2s1
Show InChI InChI=1S/C13H13N3S/c1-2-5-10-16-11-12(17-10)8-6-3-4-7-9(8)15-13(11)14/h3-4,6-7H,2,5H2,1H3,(H2,14,15)
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MMDB
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PDB
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Article
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n/an/an/an/a 1.32E+3n/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Agonist activity at human TLR8 expressed in HEK293 cells assessed as induction of NF-kappaB activity by measuring extracellular secreted alkaline pho...


J Med Chem 55: 8137-51 (2012)


Article DOI: 10.1021/jm301066h
BindingDB Entry DOI: 10.7270/Q21N827G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Toll-like receptor 8


(Homo sapiens (Human))
BDBM50398246
PNG
(CHEMBL2177867)
Show SMILES Cc1ncc(CO)c2c(Nc3ccccn3)c(NCCCCCCNc3oc4c(C)ncc(CO)c4c3Nc3ccccn3)oc12
Show InChI InChI=1S/C34H38N8O4/c1-21-31-27(23(19-43)17-39-21)29(41-25-11-5-9-13-35-25)33(45-31)37-15-7-3-4-8-16-38-34-30(42-26-12-6-10-14-36-26)28-24(20-44)18-40-22(2)32(28)46-34/h5-6,9-14,17-18,37-38,43-44H,3-4,7-8,15-16,19-20H2,1-2H3,(H,35,41)(H,36,42)
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n/an/an/an/a 3.37E+3n/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Agonist activity at human TLR8 expressed in HEK293 cells assessed as induction of NF-kappaB activity by measuring extracellular secreted alkaline pho...


J Med Chem 55: 8137-51 (2012)


Article DOI: 10.1021/jm301066h
BindingDB Entry DOI: 10.7270/Q21N827G
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM50398253
PNG
(CHEMBL2177878)
Show SMILES CCCC(C)Nc1oc2c(C)ncc(CO)c2c1Nc1ccccn1
Show InChI InChI=1S/C19H24N4O2/c1-4-7-12(2)22-19-17(23-15-8-5-6-9-20-15)16-14(11-24)10-21-13(3)18(16)25-19/h5-6,8-10,12,22,24H,4,7,11H2,1-3H3,(H,20,23)
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n/an/an/an/a 9.01E+3n/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Agonist activity at human TLR8 expressed in HEK293 cells assessed as induction of NF-kappaB activity by measuring extracellular secreted alkaline pho...


J Med Chem 55: 8137-51 (2012)


Article DOI: 10.1021/jm301066h
BindingDB Entry DOI: 10.7270/Q21N827G
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%