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Compile Data Set for Download or QSAR

Found 118 hits with Last Name = 'tanji' and Initial = 'h'   
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 8


(Homo sapiens (Human))
BDBM50514792
PNG
(CHEMBL4519240)
Show SMILES CSc1nnc(CCCO)n1-c1cc(C)c(C)c(C)c1
Show InChI InChI=1S/C15H21N3OS/c1-10-8-13(9-11(2)12(10)3)18-14(6-5-7-19)16-17-15(18)20-4/h8-9,19H,5-7H2,1-4H3
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n/an/a 30n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of human TLR8 expressed in HEK-Blue cells assessed as inhibition of R848-induced NF-kappaB activation measured after 24 hrs by quanti-blue...


J Med Chem 63: 4117-4132 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02128
BindingDB Entry DOI: 10.7270/Q2NV9NMG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Toll-like receptor 8


(Homo sapiens (Human))
BDBM50514792
PNG
(CHEMBL4519240)
Show SMILES CSc1nnc(CCCO)n1-c1cc(C)c(C)c(C)c1
Show InChI InChI=1S/C15H21N3OS/c1-10-8-13(9-11(2)12(10)3)18-14(6-5-7-19)16-17-15(18)20-4/h8-9,19H,5-7H2,1-4H3
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n/an/a 30n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of human TLR8 expressed in HEK-Blue cells assessed as inhibition of ssRNA06-induced NF-kappaB activation measured after 24 hrs by quanti-b...


J Med Chem 63: 4117-4132 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02128
BindingDB Entry DOI: 10.7270/Q2NV9NMG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Toll-like receptor 8


(Homo sapiens (Human))
BDBM50514809
PNG
(CHEMBL4530243)
Show SMILES CSc1nnc(CCCO)n1-c1cc(Cl)c(Cl)c(Cl)c1
Show InChI InChI=1S/C12H12Cl3N3OS/c1-20-12-17-16-10(3-2-4-19)18(12)7-5-8(13)11(15)9(14)6-7/h5-6,19H,2-4H2,1H3
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n/an/a 110n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of human TLR8 expressed in HEK-Blue cells assessed as inhibition of R848-induced NF-kappaB activation measured after 24 hrs by quanti-blue...


J Med Chem 63: 4117-4132 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02128
BindingDB Entry DOI: 10.7270/Q2NV9NMG
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM50514806
PNG
(CHEMBL4452260)
Show SMILES CSc1nnc(CCCO)n1-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C12H13Cl2N3OS/c1-19-12-16-15-11(3-2-6-18)17(12)8-4-5-9(13)10(14)7-8/h4-5,7,18H,2-3,6H2,1H3
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n/an/a 190n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of human TLR8 expressed in HEK-Blue cells assessed as inhibition of R848-induced NF-kappaB activation measured after 24 hrs by quanti-blue...


J Med Chem 63: 4117-4132 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02128
BindingDB Entry DOI: 10.7270/Q2NV9NMG
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM50514804
PNG
(CHEMBL4461378)
Show SMILES CSc1nnc(CCCO)n1-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C13H14F3N3OS/c1-21-12-18-17-11(6-3-7-20)19(12)10-5-2-4-9(8-10)13(14,15)16/h2,4-5,8,20H,3,6-7H2,1H3
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n/an/a 210n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of human TLR8 expressed in HEK-Blue cells assessed as inhibition of R848-induced NF-kappaB activation measured after 24 hrs by quanti-blue...


J Med Chem 63: 4117-4132 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02128
BindingDB Entry DOI: 10.7270/Q2NV9NMG
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM50514805
PNG
(CHEMBL4539893)
Show SMILES CSc1nnc(CCCO)n1-c1cccc(C)c1
Show InChI InChI=1S/C13H17N3OS/c1-10-5-3-6-11(9-10)16-12(7-4-8-17)14-15-13(16)18-2/h3,5-6,9,17H,4,7-8H2,1-2H3
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n/an/a 290n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of human TLR8 expressed in HEK-Blue cells assessed as inhibition of R848-induced NF-kappaB activation measured after 24 hrs by quanti-blue...


J Med Chem 63: 4117-4132 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02128
BindingDB Entry DOI: 10.7270/Q2NV9NMG
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM50514797
PNG
(CHEMBL4451165)
Show SMILES CSc1nnc(CCCO)n1-c1ccc(Cl)cc1Cl |(15.91,-8.56,;14.81,-9.65,;13.32,-9.24,;12.78,-7.8,;11.26,-7.87,;10.85,-9.35,;9.4,-9.87,;9.12,-11.39,;7.68,-11.91,;7.41,-13.43,;12.13,-10.19,;12.12,-11.75,;10.79,-12.51,;10.79,-14.06,;12.13,-14.83,;12.12,-16.37,;13.45,-14.06,;13.45,-12.52,;14.8,-11.73,)|
Show InChI InChI=1S/C12H13Cl2N3OS/c1-19-12-16-15-11(3-2-6-18)17(12)10-5-4-8(13)7-9(10)14/h4-5,7,18H,2-3,6H2,1H3
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n/an/a 290n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of human TLR8 expressed in HEK-Blue cells assessed as inhibition of R848-induced NF-kappaB activation measured after 24 hrs by quanti-blue...


J Med Chem 63: 4117-4132 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02128
BindingDB Entry DOI: 10.7270/Q2NV9NMG
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM50514813
PNG
(CHEMBL4471285)
Show SMILES CSc1nnc(CCCO)n1-c1cccc(Cl)c1
Show InChI InChI=1S/C12H14ClN3OS/c1-18-12-15-14-11(6-3-7-17)16(12)10-5-2-4-9(13)8-10/h2,4-5,8,17H,3,6-7H2,1H3
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The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of human TLR8 expressed in HEK-Blue cells assessed as inhibition of R848-induced NF-kappaB activation measured after 24 hrs by quanti-blue...


J Med Chem 63: 4117-4132 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02128
BindingDB Entry DOI: 10.7270/Q2NV9NMG
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM50514807
PNG
(CHEMBL4590994)
Show SMILES CSc1nnc(CCCO)n1-c1cccc2ccccc12 |(27.2,-29.84,;26.73,-28.38,;25.22,-28.05,;24.07,-29.09,;22.74,-28.32,;23.06,-26.81,;22.03,-25.66,;20.52,-25.98,;20.05,-27.45,;18.54,-27.77,;24.59,-26.65,;25.36,-25.31,;24.59,-23.98,;25.36,-22.65,;26.9,-22.65,;27.67,-23.98,;29.21,-23.98,;29.98,-25.31,;29.21,-26.65,;27.67,-26.65,;26.9,-25.31,)|
Show InChI InChI=1S/C16H17N3OS/c1-21-16-18-17-15(10-5-11-20)19(16)14-9-4-7-12-6-2-3-8-13(12)14/h2-4,6-9,20H,5,10-11H2,1H3
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n/an/a 390n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of human TLR8 expressed in HEK-Blue cells assessed as inhibition of R848-induced NF-kappaB activation measured after 24 hrs by quanti-blue...


J Med Chem 63: 4117-4132 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02128
BindingDB Entry DOI: 10.7270/Q2NV9NMG
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM50514796
PNG
(CHEMBL4535822)
Show SMILES CCSc1nnc(CCCO)n1-c1ccc(Cl)cc1Cl |(16.41,-8.45,;14.94,-7.99,;13.8,-9.02,;12.34,-8.56,;11.85,-7.1,;10.31,-7.11,;9.84,-8.57,;8.38,-9.06,;7.23,-8.04,;7.54,-6.53,;6.39,-5.51,;11.1,-9.47,;11.11,-11.01,;12.44,-11.77,;12.45,-13.31,;11.12,-14.09,;11.13,-15.63,;9.79,-13.33,;9.78,-11.79,;8.44,-11.03,)|
Show InChI InChI=1S/C13H15Cl2N3OS/c1-2-20-13-17-16-12(4-3-7-19)18(13)11-6-5-9(14)8-10(11)15/h5-6,8,19H,2-4,7H2,1H3
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n/an/a 390n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of human TLR8 expressed in HEK-Blue cells assessed as inhibition of R848-induced NF-kappaB activation measured after 24 hrs by quanti-blue...


J Med Chem 63: 4117-4132 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02128
BindingDB Entry DOI: 10.7270/Q2NV9NMG
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM50514818
PNG
(CHEMBL4585768)
Show SMILES CSc1nnc(CCCCCO)n1-c1ccc(Cl)cc1Cl |(15.05,-5.54,;13.88,-6.54,;12.42,-6.03,;11.98,-4.56,;10.44,-4.52,;9.93,-5.97,;8.46,-6.41,;7.34,-5.36,;5.86,-5.8,;4.74,-4.74,;3.27,-5.18,;2.15,-4.12,;11.16,-6.91,;11.12,-8.45,;12.44,-9.25,;12.4,-10.79,;11.05,-11.53,;11.01,-13.07,;9.73,-10.72,;9.77,-9.18,;8.45,-8.38,)|
Show InChI InChI=1S/C14H17Cl2N3OS/c1-21-14-18-17-13(5-3-2-4-8-20)19(14)12-7-6-10(15)9-11(12)16/h6-7,9,20H,2-5,8H2,1H3
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n/an/a 520n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of human TLR8 expressed in HEK-Blue cells assessed as inhibition of R848-induced NF-kappaB activation measured after 24 hrs by quanti-blue...


J Med Chem 63: 4117-4132 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02128
BindingDB Entry DOI: 10.7270/Q2NV9NMG
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM50514811
PNG
(CHEMBL4564658)
Show SMILES CSc1nnc(CO)n1-c1ccc(Cl)cc1Cl |(5.66,-11.55,;6.81,-12.57,;8.27,-12.09,;8.74,-10.63,;10.28,-10.62,;10.76,-12.08,;12.23,-12.55,;13.37,-11.52,;9.52,-12.99,;9.53,-14.53,;8.2,-15.31,;8.2,-16.85,;9.54,-17.61,;9.55,-19.15,;10.87,-16.84,;10.86,-15.3,;12.19,-14.52,)|
Show InChI InChI=1S/C10H9Cl2N3OS/c1-17-10-14-13-9(5-16)15(10)8-3-2-6(11)4-7(8)12/h2-4,16H,5H2,1H3
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n/an/a 550n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of human TLR8 expressed in HEK-Blue cells assessed as inhibition of R848-induced NF-kappaB activation measured after 24 hrs by quanti-blue...


J Med Chem 63: 4117-4132 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02128
BindingDB Entry DOI: 10.7270/Q2NV9NMG
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM50514799
PNG
(CHEMBL4445770)
Show SMILES CSc1nnc(CCO)n1-c1ccc(Cl)cc1Cl |(15.33,-12.38,;14.19,-13.42,;12.72,-12.95,;12.24,-11.48,;10.7,-11.49,;10.23,-12.96,;8.77,-13.44,;7.62,-12.42,;6.16,-12.9,;11.48,-13.86,;11.49,-15.4,;12.82,-16.16,;12.83,-17.7,;11.5,-18.48,;11.51,-20.02,;10.16,-17.71,;10.16,-16.17,;8.82,-15.41,)|
Show InChI InChI=1S/C11H11Cl2N3OS/c1-18-11-15-14-10(4-5-17)16(11)9-3-2-7(12)6-8(9)13/h2-3,6,17H,4-5H2,1H3
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n/an/a 590n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of human TLR8 expressed in HEK-Blue cells assessed as inhibition of R848-induced NF-kappaB activation measured after 24 hrs by quanti-blue...


J Med Chem 63: 4117-4132 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02128
BindingDB Entry DOI: 10.7270/Q2NV9NMG
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM50514816
PNG
(CHEMBL4468868)
Show SMILES CSc1nnc(CCCO)n1-c1ccc(Cl)c(Cl)c1Cl |(26.4,-24.74,;25.78,-26.15,;26.68,-27.4,;28.22,-27.4,;28.7,-28.86,;27.45,-29.77,;27.45,-31.31,;28.79,-32.08,;30.12,-31.31,;31.45,-32.08,;26.21,-28.86,;24.74,-29.34,;23.6,-28.31,;22.13,-28.78,;21.81,-30.29,;20.35,-30.77,;22.96,-31.32,;22.64,-32.83,;24.42,-30.84,;25.57,-31.87,)|
Show InChI InChI=1S/C12H12Cl3N3OS/c1-20-12-17-16-9(3-2-6-19)18(12)8-5-4-7(13)10(14)11(8)15/h4-5,19H,2-3,6H2,1H3
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The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of human TLR8 expressed in HEK-Blue cells assessed as inhibition of R848-induced NF-kappaB activation measured after 24 hrs by quanti-blue...


J Med Chem 63: 4117-4132 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02128
BindingDB Entry DOI: 10.7270/Q2NV9NMG
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM50514800
PNG
(CHEMBL4449343)
Show SMILES CCCc1nnc(SC)n1-c1ccc(Cl)cc1Cl |(5.01,-12.3,;6.49,-11.89,;6.89,-10.4,;8.38,-9.99,;8.92,-8.56,;10.43,-8.62,;10.85,-10.1,;12.29,-10.62,;13.46,-9.64,;9.57,-10.95,;9.57,-12.49,;8.24,-13.26,;8.23,-14.8,;9.57,-15.57,;9.57,-17.1,;10.89,-14.8,;10.9,-13.26,;12.24,-12.48,)|
Show InChI InChI=1S/C12H13Cl2N3S/c1-3-4-11-15-16-12(18-2)17(11)10-6-5-8(13)7-9(10)14/h5-7H,3-4H2,1-2H3
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The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of human TLR8 expressed in HEK-Blue cells assessed as inhibition of R848-induced NF-kappaB activation measured after 24 hrs by quanti-blue...


J Med Chem 63: 4117-4132 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02128
BindingDB Entry DOI: 10.7270/Q2NV9NMG
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM50514819
PNG
(CHEMBL4446241)
Show SMILES CSc1nnc(CCCO)n1-c1cccc(Cl)c1Cl |(14.37,-7.35,;13.19,-8.34,;11.75,-7.81,;11.32,-6.33,;9.79,-6.27,;9.26,-7.72,;7.78,-8.14,;6.67,-7.07,;7.04,-5.57,;5.94,-4.5,;10.47,-8.67,;10.41,-10.21,;11.72,-11.02,;11.66,-12.56,;10.3,-13.28,;9,-12.47,;7.64,-13.19,;9.05,-10.93,;7.75,-10.11,)|
Show InChI InChI=1S/C12H13Cl2N3OS/c1-19-12-16-15-10(6-3-7-18)17(12)9-5-2-4-8(13)11(9)14/h2,4-5,18H,3,6-7H2,1H3
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The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of human TLR8 expressed in HEK-Blue cells assessed as inhibition of R848-induced NF-kappaB activation measured after 24 hrs by quanti-blue...


J Med Chem 63: 4117-4132 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02128
BindingDB Entry DOI: 10.7270/Q2NV9NMG
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM50514821
PNG
(CHEMBL4451720)
Show SMILES CSc1nnc(CCCO)n1-c1ccccc1Cl |(14.39,-8.88,;13.29,-9.96,;11.8,-9.55,;11.27,-8.1,;9.73,-8.17,;9.32,-9.66,;7.87,-10.19,;6.68,-9.22,;6.94,-7.7,;5.75,-6.72,;10.6,-10.5,;10.67,-12.04,;12.03,-12.75,;12.1,-14.29,;10.8,-15.12,;9.44,-14.41,;9.37,-12.87,;8,-12.16,)|
Show InChI InChI=1S/C12H14ClN3OS/c1-18-12-15-14-11(7-4-8-17)16(12)10-6-3-2-5-9(10)13/h2-3,5-6,17H,4,7-8H2,1H3
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n/an/a 980n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of human TLR8 expressed in HEK-Blue cells assessed as inhibition of R848-induced NF-kappaB activation measured after 24 hrs by quanti-blue...


J Med Chem 63: 4117-4132 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02128
BindingDB Entry DOI: 10.7270/Q2NV9NMG
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM50514820
PNG
(CHEMBL4437576)
Show SMILES CSc1nnc(CCCCO)n1-c1ccc(Cl)cc1Cl |(13.55,-12.85,;12.41,-13.9,;10.95,-13.44,;10.45,-11.98,;8.91,-11.99,;8.45,-13.46,;6.99,-13.95,;5.84,-12.93,;6.14,-11.42,;4.99,-10.41,;5.29,-8.9,;9.71,-14.35,;9.72,-15.89,;11.07,-16.65,;11.08,-18.19,;9.76,-18.97,;9.77,-20.51,;8.41,-18.22,;8.4,-16.68,;7.06,-15.92,)|
Show InChI InChI=1S/C13H15Cl2N3OS/c1-20-13-17-16-12(4-2-3-7-19)18(13)11-6-5-9(14)8-10(11)15/h5-6,8,19H,2-4,7H2,1H3
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n/an/a 1.06E+3n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of human TLR8 expressed in HEK-Blue cells assessed as inhibition of R848-induced NF-kappaB activation measured after 24 hrs by quanti-blue...


J Med Chem 63: 4117-4132 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02128
BindingDB Entry DOI: 10.7270/Q2NV9NMG
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM50514801
PNG
(CHEMBL4473196)
Show SMILES COCCCc1nnc(SC)n1-c1ccc(Cl)cc1Cl |(15.11,-6.31,;13.63,-5.89,;12.53,-6.97,;11.05,-6.55,;9.94,-7.62,;8.46,-7.21,;7.93,-5.76,;6.39,-5.82,;5.97,-7.3,;4.53,-7.84,;3.34,-6.85,;7.25,-8.16,;7.31,-9.7,;6.01,-10.52,;6.07,-12.06,;7.43,-12.78,;7.5,-14.32,;8.74,-11.95,;8.68,-10.42,;9.98,-9.59,)|
Show InChI InChI=1S/C13H15Cl2N3OS/c1-19-7-3-4-12-16-17-13(20-2)18(12)11-6-5-9(14)8-10(11)15/h5-6,8H,3-4,7H2,1-2H3
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n/an/a 1.18E+3n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of human TLR8 expressed in HEK-Blue cells assessed as inhibition of R848-induced NF-kappaB activation measured after 24 hrs by quanti-blue...


J Med Chem 63: 4117-4132 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02128
BindingDB Entry DOI: 10.7270/Q2NV9NMG
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM50514794
PNG
(CHEMBL4519304)
Show SMILES CSc1nnc(CCCO)n1-c1ccc(Cl)cc1
Show InChI InChI=1S/C12H14ClN3OS/c1-18-12-15-14-11(3-2-8-17)16(12)10-6-4-9(13)5-7-10/h4-7,17H,2-3,8H2,1H3
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n/an/a 1.61E+3n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of human TLR8 expressed in HEK-Blue cells assessed as inhibition of R848-induced NF-kappaB activation measured after 24 hrs by quanti-blue...


J Med Chem 63: 4117-4132 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02128
BindingDB Entry DOI: 10.7270/Q2NV9NMG
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM50514812
PNG
(CHEMBL4564959)
Show SMILES CSc1nnc(CCCOC(C)=O)n1-c1ccc(Cl)cc1Cl |(14.27,-9.57,;13.14,-10.61,;11.67,-10.16,;11.17,-8.7,;9.63,-8.73,;9.17,-10.2,;7.72,-10.69,;6.56,-9.68,;6.85,-8.17,;5.7,-7.16,;5.99,-5.65,;4.83,-4.63,;7.45,-5.15,;10.43,-11.08,;10.46,-12.62,;11.8,-13.37,;11.82,-14.91,;10.5,-15.7,;10.53,-17.24,;9.16,-14.95,;9.13,-13.41,;7.79,-12.66,)|
Show InChI InChI=1S/C14H15Cl2N3O2S/c1-9(20)21-7-3-4-13-17-18-14(22-2)19(13)12-6-5-10(15)8-11(12)16/h5-6,8H,3-4,7H2,1-2H3
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n/an/a 2.08E+3n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of human TLR8 expressed in HEK-Blue cells assessed as inhibition of R848-induced NF-kappaB activation measured after 24 hrs by quanti-blue...


J Med Chem 63: 4117-4132 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02128
BindingDB Entry DOI: 10.7270/Q2NV9NMG
More data for this
Ligand-Target Pair
Toll-like receptor 4


(Homo sapiens (Human))
BDBM50563780
PNG
(CHEMBL4795714)
Show SMILES Cl.CCCCCn1cc(nc1N)-c1ccccc1OCc1ccccc1
PDB
MMDB

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n/an/a 2.40E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human TLR4 stably expressed in HEK293 cells cotransfected with secreted alkaline phosphatase assessed as assessed as inhibition of LPS-...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00023
BindingDB Entry DOI: 10.7270/Q2CR5Z3F
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50563780
PNG
(CHEMBL4795714)
Show SMILES Cl.CCCCCn1cc(nc1N)-c1ccccc1OCc1ccccc1
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n/an/a 2.40E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human TLR7 stably expressed in HEK293 cells cotransfected with secreted alkaline phosphatase assessed as assessed as inhibition of imid...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00023
BindingDB Entry DOI: 10.7270/Q2CR5Z3F
More data for this
Ligand-Target Pair
Toll-like receptor 2


(Homo sapiens (Human))
BDBM50563780
PNG
(CHEMBL4795714)
Show SMILES Cl.CCCCCn1cc(nc1N)-c1ccccc1OCc1ccccc1
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n/an/a 2.40E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human TLR2 stably expressed in HEK293 cells cotransfected with secreted alkaline phosphatase assessed as inhibition of Pam2CS-induced N...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00023
BindingDB Entry DOI: 10.7270/Q2CR5Z3F
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM50563780
PNG
(CHEMBL4795714)
Show SMILES Cl.CCCCCn1cc(nc1N)-c1ccccc1OCc1ccccc1
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n/an/a 2.40E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human TLR9 stably expressed in HEK293 cells cotransfected with secreted alkaline phosphatase assessed as assessed as inhibition of ODN2...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00023
BindingDB Entry DOI: 10.7270/Q2CR5Z3F
More data for this
Ligand-Target Pair
Toll-like receptor 3


(Homo sapiens)
BDBM50563780
PNG
(CHEMBL4795714)
Show SMILES Cl.CCCCCn1cc(nc1N)-c1ccccc1OCc1ccccc1
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n/an/a 2.40E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human TLR3 stably expressed in HEK293 cells cotransfected with secreted alkaline phosphatase assessed as assessed as inhibition of poly...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00023
BindingDB Entry DOI: 10.7270/Q2CR5Z3F
More data for this
Ligand-Target Pair
Toll-like receptor 5


(Homo sapiens)
BDBM50563780
PNG
(CHEMBL4795714)
Show SMILES Cl.CCCCCn1cc(nc1N)-c1ccccc1OCc1ccccc1
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n/an/a 2.40E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human TLR5 stably expressed in HEK293 cells cotransfected with secreted alkaline phosphatase assessed as assessed as inhibition of flag...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00023
BindingDB Entry DOI: 10.7270/Q2CR5Z3F
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM50514814
PNG
(CHEMBL4437700)
Show SMILES CSc1nnc(CCCO)n1-c1c(Cl)cc(Cl)cc1Cl |(25.82,-26.98,;25.2,-28.39,;26.1,-29.63,;27.64,-29.63,;28.12,-31.1,;26.87,-32,;26.87,-33.54,;28.21,-34.31,;29.54,-33.54,;30.87,-34.31,;25.63,-31.1,;24.16,-31.57,;23.02,-30.54,;23.34,-29.04,;21.55,-31.02,;21.23,-32.53,;19.77,-33,;22.38,-33.56,;23.84,-33.08,;24.99,-34.11,)|
Show InChI InChI=1S/C12H12Cl3N3OS/c1-20-12-17-16-10(3-2-4-19)18(12)11-8(14)5-7(13)6-9(11)15/h5-6,19H,2-4H2,1H3
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n/an/a 2.81E+3n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of human TLR8 expressed in HEK-Blue cells assessed as inhibition of R848-induced NF-kappaB activation measured after 24 hrs by quanti-blue...


J Med Chem 63: 4117-4132 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02128
BindingDB Entry DOI: 10.7270/Q2NV9NMG
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type 1D


(Homo sapiens (Human))
BDBM50563780
PNG
(CHEMBL4795714)
Show SMILES Cl.CCCCCn1cc(nc1N)-c1ccccc1OCc1ccccc1
PDB
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KEGG

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n/an/a 3.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of wild-type human CAMK1delta using KKALRRQETVDAL peptide as substrate in presence of Ca2+ calmodulin and [gamma-33P]-ATP by radiometric h...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00023
BindingDB Entry DOI: 10.7270/Q2CR5Z3F
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type 1G


(Homo sapiens (Human))
BDBM50563780
PNG
(CHEMBL4795714)
Show SMILES Cl.CCCCCn1cc(nc1N)-c1ccccc1OCc1ccccc1
PDB
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KEGG

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n/an/a 3.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of wild-type human CAMK1gamma using KKALRRQETVDAL peptide as substrate in presence of Ca2+ calmodulin and [gamma-33P]-ATP by radiometric h...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00023
BindingDB Entry DOI: 10.7270/Q2CR5Z3F
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type 1B


(Homo sapiens (Human))
BDBM50563780
PNG
(CHEMBL4795714)
Show SMILES Cl.CCCCCn1cc(nc1N)-c1ccccc1OCc1ccccc1
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n/an/a 3.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of wild-type human CAMK1beta using KKALRRQETVDAL peptide as substrate in presence of Ca2+ calmodulin and [gamma-33P]-ATP by radiometric ho...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00023
BindingDB Entry DOI: 10.7270/Q2CR5Z3F
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit beta


(Homo sapiens (Human))
BDBM50563780
PNG
(CHEMBL4795714)
Show SMILES Cl.CCCCCn1cc(nc1N)-c1ccccc1OCc1ccccc1
PDB
MMDB

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n/an/a 3.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of wild-type human CAMK2beta using KKALRRQETVDAL peptide as substrate in presence of Ca2+ calmodulin and [gamma-33P]-ATP by radiometric ho...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00023
BindingDB Entry DOI: 10.7270/Q2CR5Z3F
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit delta


(Homo sapiens (Human))
BDBM50563780
PNG
(CHEMBL4795714)
Show SMILES Cl.CCCCCn1cc(nc1N)-c1ccccc1OCc1ccccc1
PDB

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n/an/a 3.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of wild-type human CAMK2delta using KKLNRTLSFAEPG peptide as substrate in presence of Ca2+ calmodulin and [gamma-33P]-ATP by radiometric h...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00023
BindingDB Entry DOI: 10.7270/Q2CR5Z3F
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit gamma


(Homo sapiens (Human))
BDBM50563780
PNG
(CHEMBL4795714)
Show SMILES Cl.CCCCCn1cc(nc1N)-c1ccccc1OCc1ccccc1
PDB

KEGG

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n/an/a 3.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of wild-type human CAMK2gamma using KKLNRTLSFAEPG peptide as substrate in presence of Ca2+ calmodulin and [gamma-33P]-ATP by radiometric h...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00023
BindingDB Entry DOI: 10.7270/Q2CR5Z3F
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type IV


(Homo sapiens (Human))
BDBM50563780
PNG
(CHEMBL4795714)
Show SMILES Cl.CCCCCn1cc(nc1N)-c1ccccc1OCc1ccccc1
PDB
MMDB

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n/an/a 3.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of wild-type human CAMK4 using KKLNRTLSFAEPG peptide as substrate in presence of Ca2+ calmodulin and [gamma-33P]-ATP by radiometric hotspo...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00023
BindingDB Entry DOI: 10.7270/Q2CR5Z3F
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit alpha


(Homo sapiens (Human))
BDBM50563780
PNG
(CHEMBL4795714)
Show SMILES Cl.CCCCCn1cc(nc1N)-c1ccccc1OCc1ccccc1
PDB
MMDB

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n/an/a 3.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of wild-type human CAMK2alpha using KKALRRQETVDAL peptide as substrate in presence of Ca2+ calmodulin and [gamma-33P]-ATP by radiometric h...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00023
BindingDB Entry DOI: 10.7270/Q2CR5Z3F
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type 1


(Homo sapiens (Human))
BDBM50563780
PNG
(CHEMBL4795714)
Show SMILES Cl.CCCCCn1cc(nc1N)-c1ccccc1OCc1ccccc1
PDB
MMDB

KEGG

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n/an/a 3.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of wild-type human CAMK1alpha using KKALRRQETVDAL peptide as substrate in presence of Ca2+ calmodulin and [gamma-33P]-ATP by radiometric h...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00023
BindingDB Entry DOI: 10.7270/Q2CR5Z3F
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM50514802
PNG
(CHEMBL4584095)
Show SMILES COc1ccc(cc1)-n1c(CCCO)nnc1SC
Show InChI InChI=1S/C13H17N3O2S/c1-18-11-7-5-10(6-8-11)16-12(4-3-9-17)14-15-13(16)19-2/h5-8,17H,3-4,9H2,1-2H3
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n/an/a 3.86E+3n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of human TLR8 expressed in HEK-Blue cells assessed as inhibition of R848-induced NF-kappaB activation measured after 24 hrs by quanti-blue...


J Med Chem 63: 4117-4132 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02128
BindingDB Entry DOI: 10.7270/Q2NV9NMG
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM50514803
PNG
(CHEMBL4547071)
Show SMILES CSc1nnc(CCCO)n1-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C13H14F3N3OS/c1-21-12-18-17-11(3-2-8-20)19(12)10-6-4-9(5-7-10)13(14,15)16/h4-7,20H,2-3,8H2,1H3
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n/an/a 4.84E+3n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of human TLR8 expressed in HEK-Blue cells assessed as inhibition of R848-induced NF-kappaB activation measured after 24 hrs by quanti-blue...


J Med Chem 63: 4117-4132 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02128
BindingDB Entry DOI: 10.7270/Q2NV9NMG
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM50563780
PNG
(CHEMBL4795714)
Show SMILES Cl.CCCCCn1cc(nc1N)-c1ccccc1OCc1ccccc1
PDB

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n/an/a 6.72E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of TLR8 in human CD14-positive monocytes cells in presence of TLR7 stimulus


Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00023
BindingDB Entry DOI: 10.7270/Q2CR5Z3F
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM50563780
PNG
(CHEMBL4795714)
Show SMILES Cl.CCCCCn1cc(nc1N)-c1ccccc1OCc1ccccc1
PDB

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n/an/a 7.46E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of TLR8 in human CD14-positive monocytes cells in presence of TLR4 stimulus


Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00023
BindingDB Entry DOI: 10.7270/Q2CR5Z3F
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM50563780
PNG
(CHEMBL4795714)
Show SMILES Cl.CCCCCn1cc(nc1N)-c1ccccc1OCc1ccccc1
PDB

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n/an/a 8.06E+3n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at TLR8 in human PBMC cells assessed as inhibition of compound 1f-induced TNFalpha production incubated for 16 hrs by immunoassay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00023
BindingDB Entry DOI: 10.7270/Q2CR5Z3F
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM50563780
PNG
(CHEMBL4795714)
Show SMILES Cl.CCCCCn1cc(nc1N)-c1ccccc1OCc1ccccc1
PDB

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n/an/a 8.06E+3n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at TLR8 in human PBMC cells assessed as inhibition of compound 1f-induced MCP1 production incubated for 16 hrs by immunoassay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00023
BindingDB Entry DOI: 10.7270/Q2CR5Z3F
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM50563780
PNG
(CHEMBL4795714)
Show SMILES Cl.CCCCCn1cc(nc1N)-c1ccccc1OCc1ccccc1
PDB

UniProtKB/SwissProt

antibodypedia
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Article
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n/an/a 8.06E+3n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at TLR8 in human PBMC cells assessed as inhibition of compound 1f-induced IL12 p40 production incubated for 16 hrs by immunoassay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00023
BindingDB Entry DOI: 10.7270/Q2CR5Z3F
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM50563780
PNG
(CHEMBL4795714)
Show SMILES Cl.CCCCCn1cc(nc1N)-c1ccccc1OCc1ccccc1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
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UniChem
Article
PubMed
n/an/a 8.06E+3n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at TLR8 in human PBMC cells assessed as inhibition of compound 1f-induced IFNgamma production incubated for 16 hrs by immunoassay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00023
BindingDB Entry DOI: 10.7270/Q2CR5Z3F
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM50563780
PNG
(CHEMBL4795714)
Show SMILES Cl.CCCCCn1cc(nc1N)-c1ccccc1OCc1ccccc1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.06E+3n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at TLR8 in human PBMC cells assessed as inhibition of compound 1f-induced IL-8 production incubated for 16 hrs by immunoassay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00023
BindingDB Entry DOI: 10.7270/Q2CR5Z3F
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM50563780
PNG
(CHEMBL4795714)
Show SMILES Cl.CCCCCn1cc(nc1N)-c1ccccc1OCc1ccccc1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.06E+3n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at TLR8 in human PBMC cells assessed as inhibition of compound 1f-induced IL-6 production incubated for 16 hrs by immunoassay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00023
BindingDB Entry DOI: 10.7270/Q2CR5Z3F
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM50514798
PNG
(CHEMBL4554556)
Show SMILES CSc1nnc(O)n1-c1ccc(Cl)cc1Cl |(9.88,-10.43,;8.76,-11.48,;7.28,-11.04,;6.78,-9.58,;5.24,-9.61,;4.79,-11.09,;3.34,-11.59,;6.06,-11.97,;6.09,-13.51,;7.43,-14.25,;7.47,-15.79,;6.15,-16.59,;6.18,-18.13,;4.8,-15.84,;4.77,-14.3,;3.42,-13.56,)|
Show InChI InChI=1S/C9H7Cl2N3OS/c1-16-9-13-12-8(15)14(9)7-3-2-5(10)4-6(7)11/h2-4H,1H3,(H,12,15)
PDB

UniProtKB/SwissProt

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n/an/a 9.00E+3n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of human TLR8 expressed in HEK-Blue cells assessed as inhibition of R848-induced NF-kappaB activation measured after 24 hrs by quanti-blue...


J Med Chem 63: 4117-4132 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02128
BindingDB Entry DOI: 10.7270/Q2NV9NMG
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM50514795
PNG
(CHEMBL4475464)
Show SMILES CC(C)Sc1nnc(CCCO)n1-c1ccc(Cl)cc1Cl |(27.07,-36.52,;27.97,-35.27,;29.51,-35.44,;27.35,-33.87,;28.25,-32.62,;29.79,-32.62,;30.27,-31.16,;29.02,-30.25,;29.02,-28.71,;30.36,-27.94,;31.69,-28.71,;33.02,-27.94,;27.78,-31.16,;26.31,-30.68,;25.17,-31.71,;23.7,-31.24,;23.38,-29.73,;21.92,-29.25,;24.53,-28.7,;25.99,-29.17,;27.14,-28.14,)|
Show InChI InChI=1S/C14H17Cl2N3OS/c1-9(2)21-14-18-17-13(4-3-7-20)19(14)12-6-5-10(15)8-11(12)16/h5-6,8-9,20H,3-4,7H2,1-2H3
PDB

UniProtKB/SwissProt

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n/an/a 1.01E+4n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of human TLR8 expressed in HEK-Blue cells assessed as inhibition of R848-induced NF-kappaB activation measured after 24 hrs by quanti-blue...


J Med Chem 63: 4117-4132 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02128
BindingDB Entry DOI: 10.7270/Q2NV9NMG
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM50514815
PNG
(CHEMBL4438489)
Show SMILES CSc1nnc(CCCO)n1-c1cccnc1
Show InChI InChI=1S/C11H14N4OS/c1-17-11-14-13-10(5-3-7-16)15(11)9-4-2-6-12-8-9/h2,4,6,8,16H,3,5,7H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
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n/an/a>2.00E+4n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of human TLR8 expressed in HEK-Blue cells assessed as inhibition of R848-induced NF-kappaB activation measured after 24 hrs by quanti-blue...


J Med Chem 63: 4117-4132 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02128
BindingDB Entry DOI: 10.7270/Q2NV9NMG
More data for this
Ligand-Target Pair
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