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Compile Data Set for Download or QSAR

Found 45 hits Enz. Inhib. hit(s) with all data for entry = 50007937   
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))
BDBM50514141
PNG
(CHEMBL4543348)
Show SMILES [O-][N+](=O)c1c(I)cccc1Oc1ccc(cc1)-c1nnco1
Show InChI InChI=1S/C14H8IN3O4/c15-11-2-1-3-12(13(11)18(19)20)22-10-6-4-9(5-7-10)14-17-16-8-21-14/h1-8H
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n/an/a 300n/an/an/an/an/an/a



University of Colorado Boulder

Curated by ChEMBL


Assay Description
Inhibition of human TLR8 expressed in HEK293 cells assessed as reduction in R848-induced NFkappaB production incubated for 16 hrs by quanti-blue SEAP...


J Med Chem 62: 10221-10244 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01201
BindingDB Entry DOI: 10.7270/Q2BP064W
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM50514141
PNG
(CHEMBL4543348)
Show SMILES [O-][N+](=O)c1c(I)cccc1Oc1ccc(cc1)-c1nnco1
Show InChI InChI=1S/C14H8IN3O4/c15-11-2-1-3-12(13(11)18(19)20)22-10-6-4-9(5-7-10)14-17-16-8-21-14/h1-8H
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n/an/a 620n/an/an/an/an/an/a



University of Colorado Boulder

Curated by ChEMBL


Assay Description
Inhibition of human TLR8 expressed in HEK293 cells assessed as reduction in ssRNA-induced NFkappaB production incubated for 16 hrs by quanti-blue SEA...


J Med Chem 62: 10221-10244 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01201
BindingDB Entry DOI: 10.7270/Q2BP064W
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM50514130
PNG
(CHEMBL4467356)
Show SMILES [O-][N+](=O)c1c(Cl)cccc1Oc1ccc(cc1)-c1nnco1
Show InChI InChI=1S/C14H8ClN3O4/c15-11-2-1-3-12(13(11)18(19)20)22-10-6-4-9(5-7-10)14-17-16-8-21-14/h1-8H
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n/an/a 770n/an/an/an/an/an/a



University of Colorado Boulder

Curated by ChEMBL


Assay Description
Inhibition of human TLR8 expressed in HEK293 cells assessed as reduction in R848-induced NFkappaB production incubated for 16 hrs by quanti-blue SEAP...


J Med Chem 62: 10221-10244 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01201
BindingDB Entry DOI: 10.7270/Q2BP064W
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM50514129
PNG
(CHEMBL4593624)
Show SMILES Brc1cccc(Oc2ccc(cc2)-c2nnco2)c1C#N
Show InChI InChI=1S/C15H8BrN3O2/c16-13-2-1-3-14(12(13)8-17)21-11-6-4-10(5-7-11)15-19-18-9-20-15/h1-7,9H
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n/an/a 880n/an/an/an/an/an/a



University of Colorado Boulder

Curated by ChEMBL


Assay Description
Inhibition of human TLR8 expressed in HEK293 cells assessed as reduction in R848-induced NFkappaB production incubated for 16 hrs by quanti-blue SEAP...


J Med Chem 62: 10221-10244 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01201
BindingDB Entry DOI: 10.7270/Q2BP064W
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50514126
PNG
(CHEMBL4553003)
Show SMILES Fc1cccc(Br)c1C(=O)Nc1ccc(Oc2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc1
Show InChI InChI=1S/C21H11BrF7NO2/c22-16-2-1-3-17(23)18(16)19(31)30-13-4-6-14(7-5-13)32-15-9-11(20(24,25)26)8-12(10-15)21(27,28)29/h1-10H,(H,30,31)
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of Colorado Boulder

Curated by ChEMBL


Assay Description
Inhibition of human TLR7 expressed in HEK293 cells assessed as reduction in R848-induced NFkappaB production incubated for 16 hrs by quanti-blue SEAP...


J Med Chem 62: 10221-10244 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01201
BindingDB Entry DOI: 10.7270/Q2BP064W
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM50514123
PNG
(CHEMBL4460125)
Show SMILES Fc1cccc(I)c1C(=O)Nc1ccc(Oc2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc1
Show InChI InChI=1S/C21H11F7INO2/c22-16-2-1-3-17(29)18(16)19(31)30-13-4-6-14(7-5-13)32-15-9-11(20(23,24)25)8-12(10-15)21(26,27)28/h1-10H,(H,30,31)
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n/an/a 1.04E+3n/an/an/an/an/an/a



University of Colorado Boulder

Curated by ChEMBL


Assay Description
Inhibition of human TLR8 expressed in HEK293 cells assessed as reduction in R848-induced NFkappaB production incubated for 16 hrs by quanti-blue SEAP...


J Med Chem 62: 10221-10244 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01201
BindingDB Entry DOI: 10.7270/Q2BP064W
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM50514137
PNG
(CHEMBL4455524)
Show SMILES Fc1ccc(Cl)cc1C(=O)Nc1ccc(Oc2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc1
Show InChI InChI=1S/C21H11ClF7NO2/c22-13-1-6-18(23)17(10-13)19(31)30-14-2-4-15(5-3-14)32-16-8-11(20(24,25)26)7-12(9-16)21(27,28)29/h1-10H,(H,30,31)
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n/an/a 1.11E+3n/an/an/an/an/an/a



University of Colorado Boulder

Curated by ChEMBL


Assay Description
Inhibition of human TLR8 expressed in HEK293 cells assessed as reduction in R848-induced NFkappaB production incubated for 16 hrs by quanti-blue SEAP...


J Med Chem 62: 10221-10244 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01201
BindingDB Entry DOI: 10.7270/Q2BP064W
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50514128
PNG
(CHEMBL4460503)
Show SMILES Fc1cccc(Cl)c1C(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C15H7ClF7NO/c16-10-2-1-3-11(17)12(10)13(25)24-9-5-7(14(18,19)20)4-8(6-9)15(21,22)23/h1-6H,(H,24,25)
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n/an/a 1.40E+3n/an/an/an/an/an/a



University of Colorado Boulder

Curated by ChEMBL


Assay Description
Inhibition of human TLR7 expressed in HEK293 cells assessed as reduction in resiquimod-induced NFkappaB production at 1.5 to 5 uM incubated for 16 hr...


J Med Chem 62: 10221-10244 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01201
BindingDB Entry DOI: 10.7270/Q2BP064W
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM50514145
PNG
(CHEMBL4556342)
Show SMILES Clc1cccc(Oc2ccc(cc2)-c2nnco2)c1C#N
Show InChI InChI=1S/C15H8ClN3O2/c16-13-2-1-3-14(12(13)8-17)21-11-6-4-10(5-7-11)15-19-18-9-20-15/h1-7,9H
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n/an/a 1.40E+3n/an/an/an/an/an/a



University of Colorado Boulder

Curated by ChEMBL


Assay Description
Inhibition of human TLR8 expressed in HEK293 cells assessed as reduction in R848-induced NFkappaB production incubated for 16 hrs by quanti-blue SEAP...


J Med Chem 62: 10221-10244 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01201
BindingDB Entry DOI: 10.7270/Q2BP064W
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM50514153
PNG
(CHEMBL4469304)
Show SMILES Fc1cc(Oc2ccc(NC(=O)c3c(F)cccc3Cl)cc2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C20H11ClF5NO2/c21-16-2-1-3-17(23)18(16)19(28)27-13-4-6-14(7-5-13)29-15-9-11(20(24,25)26)8-12(22)10-15/h1-10H,(H,27,28)
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n/an/a 1.59E+3n/an/an/an/an/an/a



University of Colorado Boulder

Curated by ChEMBL


Assay Description
Inhibition of human TLR8 expressed in HEK293 cells assessed as reduction in R848-induced NFkappaB production incubated for 16 hrs by quanti-blue SEAP...


J Med Chem 62: 10221-10244 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01201
BindingDB Entry DOI: 10.7270/Q2BP064W
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM50514148
PNG
(CHEMBL4475557)
Show SMILES Fc1cccc(Cl)c1C(=O)Nc1ccc(Oc2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc1
Show InChI InChI=1S/C21H11ClF7NO2/c22-16-2-1-3-17(23)18(16)19(31)30-13-4-6-14(7-5-13)32-15-9-11(20(24,25)26)8-12(10-15)21(27,28)29/h1-10H,(H,30,31)
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n/an/a 1.64E+3n/an/an/an/an/an/a



University of Colorado Boulder

Curated by ChEMBL


Assay Description
Inhibition of human TLR8 expressed in HEK293 cells assessed as reduction in R848-induced NFkappaB production incubated for 16 hrs by quanti-blue SEAP...


J Med Chem 62: 10221-10244 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01201
BindingDB Entry DOI: 10.7270/Q2BP064W
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM50514133
PNG
(CHEMBL4517952)
Show SMILES Fc1cccc(Cl)c1C(=O)Nc1ccc(Oc2cc(Cl)cc(c2)C(F)(F)F)cc1
Show InChI InChI=1S/C20H11Cl2F4NO2/c21-12-8-11(20(24,25)26)9-15(10-12)29-14-6-4-13(5-7-14)27-19(28)18-16(22)2-1-3-17(18)23/h1-10H,(H,27,28)
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n/an/a 2.04E+3n/an/an/an/an/an/a



University of Colorado Boulder

Curated by ChEMBL


Assay Description
Inhibition of human TLR8 expressed in HEK293 cells assessed as reduction in R848-induced NFkappaB production incubated for 16 hrs by quanti-blue SEAP...


J Med Chem 62: 10221-10244 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01201
BindingDB Entry DOI: 10.7270/Q2BP064W
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM50514132
PNG
(CHEMBL4460468)
Show SMILES Fc1cccc(Cl)c1C(=O)Nc1ccc(Oc2cc(Br)cc(c2)C(F)(F)F)cc1
Show InChI InChI=1S/C20H11BrClF4NO2/c21-12-8-11(20(24,25)26)9-15(10-12)29-14-6-4-13(5-7-14)27-19(28)18-16(22)2-1-3-17(18)23/h1-10H,(H,27,28)
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n/an/a 2.32E+3n/an/an/an/an/an/a



University of Colorado Boulder

Curated by ChEMBL


Assay Description
Inhibition of human TLR8 expressed in HEK293 cells assessed as reduction in R848-induced NFkappaB production incubated for 16 hrs by quanti-blue SEAP...


J Med Chem 62: 10221-10244 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01201
BindingDB Entry DOI: 10.7270/Q2BP064W
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM50514134
PNG
(CHEMBL4435177)
Show SMILES Fc1cccc(Cl)c1C(=O)Nc1ccc(Oc2cccc(c2)C(F)(F)F)cc1
Show InChI InChI=1S/C20H12ClF4NO2/c21-16-5-2-6-17(22)18(16)19(27)26-13-7-9-14(10-8-13)28-15-4-1-3-12(11-15)20(23,24)25/h1-11H,(H,26,27)
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n/an/a 2.41E+3n/an/an/an/an/an/a



University of Colorado Boulder

Curated by ChEMBL


Assay Description
Inhibition of human TLR8 expressed in HEK293 cells assessed as reduction in R848-induced NFkappaB production incubated for 16 hrs by quanti-blue SEAP...


J Med Chem 62: 10221-10244 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01201
BindingDB Entry DOI: 10.7270/Q2BP064W
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM50514139
PNG
(CHEMBL4437017)
Show SMILES Clc1cccc(COc2ccc(cc2)-c2nnco2)c1C#N
Show InChI InChI=1S/C16H10ClN3O2/c17-15-3-1-2-12(14(15)8-18)9-21-13-6-4-11(5-7-13)16-20-19-10-22-16/h1-7,10H,9H2
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n/an/a 2.52E+3n/an/an/an/an/an/a



University of Colorado Boulder

Curated by ChEMBL


Assay Description
Inhibition of human TLR8 expressed in HEK293 cells assessed as reduction in R848-induced NFkappaB production incubated for 16 hrs by quanti-blue SEAP...


J Med Chem 62: 10221-10244 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01201
BindingDB Entry DOI: 10.7270/Q2BP064W
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM50514144
PNG
(CHEMBL4483769)
Show SMILES Oc1cc(Oc2cc(cc(c2)C(F)(F)F)C(F)(F)F)ccc1NC(=O)c1c(F)cccc1I
Show InChI InChI=1S/C21H11F7INO3/c22-14-2-1-3-15(29)18(14)19(32)30-16-5-4-12(9-17(16)31)33-13-7-10(20(23,24)25)6-11(8-13)21(26,27)28/h1-9,31H,(H,30,32)
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n/an/a 2.63E+3n/an/an/an/an/an/a



University of Colorado Boulder

Curated by ChEMBL


Assay Description
Inhibition of human TLR8 expressed in HEK293 cells assessed as reduction in R848-induced NFkappaB production incubated for 16 hrs by quanti-blue SEAP...


J Med Chem 62: 10221-10244 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01201
BindingDB Entry DOI: 10.7270/Q2BP064W
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50514134
PNG
(CHEMBL4435177)
Show SMILES Fc1cccc(Cl)c1C(=O)Nc1ccc(Oc2cccc(c2)C(F)(F)F)cc1
Show InChI InChI=1S/C20H12ClF4NO2/c21-16-5-2-6-17(22)18(16)19(27)26-13-7-9-14(10-8-13)28-15-4-1-3-12(11-15)20(23,24)25/h1-11H,(H,26,27)
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n/an/a 2.65E+3n/an/an/an/an/an/a



University of Colorado Boulder

Curated by ChEMBL


Assay Description
Inhibition of human TLR7 expressed in HEK293 cells assessed as reduction in R848-induced NFkappaB production incubated for 16 hrs by quanti-blue SEAP...


J Med Chem 62: 10221-10244 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01201
BindingDB Entry DOI: 10.7270/Q2BP064W
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM50514151
PNG
(CHEMBL4456777)
Show SMILES Fc1cccc(Cl)c1C(=O)Nc1ccc(Oc2cncc(c2)C(F)(F)F)cc1
Show InChI InChI=1S/C19H11ClF4N2O2/c20-15-2-1-3-16(21)17(15)18(27)26-12-4-6-13(7-5-12)28-14-8-11(9-25-10-14)19(22,23)24/h1-10H,(H,26,27)
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n/an/a 2.87E+3n/an/an/an/an/an/a



University of Colorado Boulder

Curated by ChEMBL


Assay Description
Inhibition of human TLR8 expressed in HEK293 cells assessed as reduction in R848-induced NFkappaB production incubated for 16 hrs by quanti-blue SEAP...


J Med Chem 62: 10221-10244 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01201
BindingDB Entry DOI: 10.7270/Q2BP064W
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50514148
PNG
(CHEMBL4475557)
Show SMILES Fc1cccc(Cl)c1C(=O)Nc1ccc(Oc2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc1
Show InChI InChI=1S/C21H11ClF7NO2/c22-16-2-1-3-17(23)18(16)19(31)30-13-4-6-14(7-5-13)32-15-9-11(20(24,25)26)8-12(10-15)21(27,28)29/h1-10H,(H,30,31)
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n/an/a 2.88E+3n/an/an/an/an/an/a



University of Colorado Boulder

Curated by ChEMBL


Assay Description
Inhibition of human TLR7 expressed in HEK293 cells assessed as reduction in R848-induced NFkappaB production incubated for 16 hrs by quanti-blue SEAP...


J Med Chem 62: 10221-10244 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01201
BindingDB Entry DOI: 10.7270/Q2BP064W
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50514127
PNG
(CHEMBL4468417)
Show SMILES CN(C(=O)c1c(F)cccc1Cl)c1ccc(Oc2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc1
Show InChI InChI=1S/C22H13ClF7NO2/c1-31(20(32)19-17(23)3-2-4-18(19)24)14-5-7-15(8-6-14)33-16-10-12(21(25,26)27)9-13(11-16)22(28,29)30/h2-11H,1H3
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n/an/a 2.90E+3n/an/an/an/an/an/a



University of Colorado Boulder

Curated by ChEMBL


Assay Description
Inhibition of human TLR7 expressed in HEK293 cells assessed as reduction in resiquimod-induced NFkappaB production at 1.5 to 5 uM incubated for 16 hr...


J Med Chem 62: 10221-10244 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01201
BindingDB Entry DOI: 10.7270/Q2BP064W
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM50514138
PNG
(CHEMBL4572948)
Show SMILES Fc1ccccc1C(=O)Nc1ccc(Oc2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc1
Show InChI InChI=1S/C21H12F7NO2/c22-18-4-2-1-3-17(18)19(30)29-14-5-7-15(8-6-14)31-16-10-12(20(23,24)25)9-13(11-16)21(26,27)28/h1-11H,(H,29,30)
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n/an/a 3.00E+3n/an/an/an/an/an/a



University of Colorado Boulder

Curated by ChEMBL


Assay Description
Inhibition of human TLR8 expressed in HEK293 cells assessed as reduction in R848-induced NFkappaB production incubated for 16 hrs by quanti-blue SEAP...


J Med Chem 62: 10221-10244 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01201
BindingDB Entry DOI: 10.7270/Q2BP064W
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM50514135
PNG
(CHEMBL4542663)
Show SMILES FC(F)(F)c1cc(Oc2ccc(NC(=O)c3sccc3Cl)cc2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C19H10ClF6NO2S/c20-15-5-6-30-16(15)17(28)27-12-1-3-13(4-2-12)29-14-8-10(18(21,22)23)7-11(9-14)19(24,25)26/h1-9H,(H,27,28)
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n/an/a 3.20E+3n/an/an/an/an/an/a



University of Colorado Boulder

Curated by ChEMBL


Assay Description
Inhibition of human TLR8 expressed in HEK293 cells assessed as reduction in R848-induced NFkappaB production incubated for 16 hrs by quanti-blue SEAP...


J Med Chem 62: 10221-10244 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01201
BindingDB Entry DOI: 10.7270/Q2BP064W
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM50514140
PNG
(CHEMBL4546506)
Show SMILES Oc1cc(Oc2cc(cc(c2)C(F)(F)F)C(F)(F)F)ccc1NC(=O)c1c(F)cccc1Cl
Show InChI InChI=1S/C21H11ClF7NO3/c22-14-2-1-3-15(23)18(14)19(32)30-16-5-4-12(9-17(16)31)33-13-7-10(20(24,25)26)6-11(8-13)21(27,28)29/h1-9,31H,(H,30,32)
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n/an/a 4.02E+3n/an/an/an/an/an/a



University of Colorado Boulder

Curated by ChEMBL


Assay Description
Inhibition of human TLR8 expressed in HEK293 cells assessed as reduction in R848-induced NFkappaB production incubated for 16 hrs by quanti-blue SEAP...


J Med Chem 62: 10221-10244 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01201
BindingDB Entry DOI: 10.7270/Q2BP064W
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50514144
PNG
(CHEMBL4483769)
Show SMILES Oc1cc(Oc2cc(cc(c2)C(F)(F)F)C(F)(F)F)ccc1NC(=O)c1c(F)cccc1I
Show InChI InChI=1S/C21H11F7INO3/c22-14-2-1-3-15(29)18(14)19(32)30-16-5-4-12(9-17(16)31)33-13-7-10(20(23,24)25)6-11(8-13)21(26,27)28/h1-9,31H,(H,30,32)
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n/an/a 4.73E+3n/an/an/an/an/an/a



University of Colorado Boulder

Curated by ChEMBL


Assay Description
Inhibition of human TLR7 expressed in HEK293 cells assessed as reduction in R848-induced NFkappaB production incubated for 16 hrs by quanti-blue SEAP...


J Med Chem 62: 10221-10244 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01201
BindingDB Entry DOI: 10.7270/Q2BP064W
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM50514124
PNG
(CHEMBL4443220)
Show SMILES Fc1cccc(Cl)c1C(=O)Nc1ccc(Oc2cc(I)cc(c2)C(F)(F)F)cc1
Show InChI InChI=1S/C20H11ClF4INO2/c21-16-2-1-3-17(22)18(16)19(28)27-13-4-6-14(7-5-13)29-15-9-11(20(23,24)25)8-12(26)10-15/h1-10H,(H,27,28)
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n/an/a 5.00E+3n/an/an/an/an/an/a



University of Colorado Boulder

Curated by ChEMBL


Assay Description
Inhibition of human TLR8 expressed in HEK293 cells assessed as reduction in R848-induced NFkappaB production incubated for 16 hrs by quanti-blue SEAP...


J Med Chem 62: 10221-10244 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01201
BindingDB Entry DOI: 10.7270/Q2BP064W
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM50514150
PNG
(CHEMBL4443600)
Show SMILES Nc1c(Cl)cccc1Oc1ccc(cc1)-c1nnco1
Show InChI InChI=1S/C14H10ClN3O2/c15-11-2-1-3-12(13(11)16)20-10-6-4-9(5-7-10)14-18-17-8-19-14/h1-8H,16H2
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n/an/a 5.29E+3n/an/an/an/an/an/a



University of Colorado Boulder

Curated by ChEMBL


Assay Description
Inhibition of human TLR8 expressed in HEK293 cells assessed as reduction in R848-induced NFkappaB production incubated for 16 hrs by quanti-blue SEAP...


J Med Chem 62: 10221-10244 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01201
BindingDB Entry DOI: 10.7270/Q2BP064W
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM50514126
PNG
(CHEMBL4553003)
Show SMILES Fc1cccc(Br)c1C(=O)Nc1ccc(Oc2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc1
Show InChI InChI=1S/C21H11BrF7NO2/c22-16-2-1-3-17(23)18(16)19(31)30-13-4-6-14(7-5-13)32-15-9-11(20(24,25)26)8-12(10-15)21(27,28)29/h1-10H,(H,30,31)
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n/an/a 6.00E+3n/an/an/an/an/an/a



University of Colorado Boulder

Curated by ChEMBL


Assay Description
Inhibition of human TLR8 expressed in HEK293 cells assessed as reduction in R848-induced NFkappaB production incubated for 16 hrs by quanti-blue SEAP...


J Med Chem 62: 10221-10244 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01201
BindingDB Entry DOI: 10.7270/Q2BP064W
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50514149
PNG
(CHEMBL4524477)
Show SMILES Fc1cccc(Cl)c1NC(=O)c1ccc(Oc2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc1
Show InChI InChI=1S/C21H11ClF7NO2/c22-16-2-1-3-17(23)18(16)30-19(31)11-4-6-14(7-5-11)32-15-9-12(20(24,25)26)8-13(10-15)21(27,28)29/h1-10H,(H,30,31)
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n/an/a 7.10E+3n/an/an/an/an/an/a



University of Colorado Boulder

Curated by ChEMBL


Assay Description
Inhibition of human TLR7 expressed in HEK293 cells assessed as reduction in resiquimod-induced NFkappaB production at 1.5 to 5 uM incubated for 16 hr...


J Med Chem 62: 10221-10244 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01201
BindingDB Entry DOI: 10.7270/Q2BP064W
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM50514131
PNG
(CHEMBL4568991)
Show SMILES O(c1ccccc1)c1ccc(cc1)-c1nnco1
Show InChI InChI=1S/C14H10N2O2/c1-2-4-12(5-3-1)18-13-8-6-11(7-9-13)14-16-15-10-17-14/h1-10H
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n/an/a 7.26E+3n/an/an/an/an/an/a



University of Colorado Boulder

Curated by ChEMBL


Assay Description
Inhibition of human TLR8 expressed in HEK293 cells assessed as reduction in R848-induced NFkappaB production incubated for 16 hrs by quanti-blue SEAP...


J Med Chem 62: 10221-10244 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01201
BindingDB Entry DOI: 10.7270/Q2BP064W
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50514141
PNG
(CHEMBL4543348)
Show SMILES [O-][N+](=O)c1c(I)cccc1Oc1ccc(cc1)-c1nnco1
Show InChI InChI=1S/C14H8IN3O4/c15-11-2-1-3-12(13(11)18(19)20)22-10-6-4-9(5-7-10)14-17-16-8-21-14/h1-8H
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n/an/a>2.00E+4n/an/an/an/an/an/a



University of Colorado Boulder

Curated by ChEMBL


Assay Description
Inhibition of human TLR7 expressed in HEK293 cells assessed as reduction in R848-induced NFkappaB production incubated for 16 hrs by quanti-blue SEAP...


J Med Chem 62: 10221-10244 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01201
BindingDB Entry DOI: 10.7270/Q2BP064W
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM50514136
PNG
(CHEMBL4475425)
Show SMILES Oc1ccc(C(=O)Nc2ccc(Oc3cc(cc(c3)C(F)(F)F)C(F)(F)F)cc2)c(F)c1
Show InChI InChI=1S/C21H12F7NO3/c22-18-10-14(30)3-6-17(18)19(31)29-13-1-4-15(5-2-13)32-16-8-11(20(23,24)25)7-12(9-16)21(26,27)28/h1-10,30H,(H,29,31)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Colorado Boulder

Curated by ChEMBL


Assay Description
Inhibition of human TLR8 expressed in HEK293 cells assessed as reduction in R848-induced NFkappaB production incubated for 16 hrs by quanti-blue SEAP...


J Med Chem 62: 10221-10244 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01201
BindingDB Entry DOI: 10.7270/Q2BP064W
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM50514147
PNG
(CHEMBL4458917)
Show SMILES Fc1cc(I)ccc1C(=O)Nc1ccc(Oc2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc1
Show InChI InChI=1S/C21H11F7INO2/c22-18-10-13(29)1-6-17(18)19(31)30-14-2-4-15(5-3-14)32-16-8-11(20(23,24)25)7-12(9-16)21(26,27)28/h1-10H,(H,30,31)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Colorado Boulder

Curated by ChEMBL


Assay Description
Inhibition of human TLR8 expressed in HEK293 cells assessed as reduction in R848-induced NFkappaB production incubated for 16 hrs by quanti-blue SEAP...


J Med Chem 62: 10221-10244 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01201
BindingDB Entry DOI: 10.7270/Q2BP064W
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM50514152
PNG
(CHEMBL4435419)
Show SMILES Fc1cccc(Cl)c1CNc1ccc(Oc2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc1
Show InChI InChI=1S/C21H13ClF7NO/c22-18-2-1-3-19(23)17(18)11-30-14-4-6-15(7-5-14)31-16-9-12(20(24,25)26)8-13(10-16)21(27,28)29/h1-10,30H,11H2
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Colorado Boulder

Curated by ChEMBL


Assay Description
Inhibition of human TLR8 expressed in HEK293 cells assessed as reduction in R848-induced NFkappaB production incubated for 16 hrs by quanti-blue SEAP...


J Med Chem 62: 10221-10244 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01201
BindingDB Entry DOI: 10.7270/Q2BP064W
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50514152
PNG
(CHEMBL4435419)
Show SMILES Fc1cccc(Cl)c1CNc1ccc(Oc2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc1
Show InChI InChI=1S/C21H13ClF7NO/c22-18-2-1-3-19(23)17(18)11-30-14-4-6-15(7-5-14)31-16-9-12(20(24,25)26)8-13(10-16)21(27,28)29/h1-10,30H,11H2
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Colorado Boulder

Curated by ChEMBL


Assay Description
Inhibition of human TLR7 expressed in HEK293 cells assessed as reduction in R848-induced NFkappaB production incubated for 16 hrs by quanti-blue SEAP...


J Med Chem 62: 10221-10244 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01201
BindingDB Entry DOI: 10.7270/Q2BP064W
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM50514143
PNG
(CHEMBL4466412)
Show SMILES Nc1ccc(C(=O)Nc2ccc(Oc3cc(cc(c3)C(F)(F)F)C(F)(F)F)cc2)c(F)c1
Show InChI InChI=1S/C21H13F7N2O2/c22-18-10-13(29)1-6-17(18)19(31)30-14-2-4-15(5-3-14)32-16-8-11(20(23,24)25)7-12(9-16)21(26,27)28/h1-10H,29H2,(H,30,31)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Colorado Boulder

Curated by ChEMBL


Assay Description
Inhibition of human TLR8 expressed in HEK293 cells assessed as reduction in R848-induced NFkappaB production incubated for 16 hrs by quanti-blue SEAP...


J Med Chem 62: 10221-10244 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01201
BindingDB Entry DOI: 10.7270/Q2BP064W
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50514142
PNG
(CHEMBL4475509)
Show SMILES FC(F)(F)c1cc(Oc2ccc(NC(=O)c3ccc4nc[nH]c4c3)cc2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C22H13F6N3O2/c23-21(24,25)13-8-14(22(26,27)28)10-17(9-13)33-16-4-2-15(3-5-16)31-20(32)12-1-6-18-19(7-12)30-11-29-18/h1-11H,(H,29,30)(H,31,32)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Colorado Boulder

Curated by ChEMBL


Assay Description
Inhibition of human TLR7 expressed in HEK293 cells assessed as reduction in R848-induced NFkappaB production incubated for 16 hrs by quanti-blue SEAP...


J Med Chem 62: 10221-10244 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01201
BindingDB Entry DOI: 10.7270/Q2BP064W
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50514147
PNG
(CHEMBL4458917)
Show SMILES Fc1cc(I)ccc1C(=O)Nc1ccc(Oc2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc1
Show InChI InChI=1S/C21H11F7INO2/c22-18-10-13(29)1-6-17(18)19(31)30-14-2-4-15(5-3-14)32-16-8-11(20(23,24)25)7-12(9-16)21(26,27)28/h1-10H,(H,30,31)
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University of Colorado Boulder

Curated by ChEMBL


Assay Description
Inhibition of human TLR7 expressed in HEK293 cells assessed as reduction in R848-induced NFkappaB production incubated for 16 hrs by quanti-blue SEAP...


J Med Chem 62: 10221-10244 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01201
BindingDB Entry DOI: 10.7270/Q2BP064W
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50514146
PNG
(CHEMBL4460132)
Show SMILES Fc1cccnc1C(=O)Nc1ccc(Oc2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc1
Show InChI InChI=1S/C20H11F7N2O2/c21-16-2-1-7-28-17(16)18(30)29-13-3-5-14(6-4-13)31-15-9-11(19(22,23)24)8-12(10-15)20(25,26)27/h1-10H,(H,29,30)
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University of Colorado Boulder

Curated by ChEMBL


Assay Description
Inhibition of human TLR7 expressed in HEK293 cells assessed as reduction in R848-induced NFkappaB production incubated for 16 hrs by quanti-blue SEAP...


J Med Chem 62: 10221-10244 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01201
BindingDB Entry DOI: 10.7270/Q2BP064W
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50514138
PNG
(CHEMBL4572948)
Show SMILES Fc1ccccc1C(=O)Nc1ccc(Oc2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc1
Show InChI InChI=1S/C21H12F7NO2/c22-18-4-2-1-3-17(18)19(30)29-14-5-7-15(8-6-14)31-16-10-12(20(23,24)25)9-13(11-16)21(26,27)28/h1-11H,(H,29,30)
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University of Colorado Boulder

Curated by ChEMBL


Assay Description
Inhibition of human TLR7 expressed in HEK293 cells assessed as reduction in R848-induced NFkappaB production incubated for 16 hrs by quanti-blue SEAP...


J Med Chem 62: 10221-10244 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01201
BindingDB Entry DOI: 10.7270/Q2BP064W
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50514143
PNG
(CHEMBL4466412)
Show SMILES Nc1ccc(C(=O)Nc2ccc(Oc3cc(cc(c3)C(F)(F)F)C(F)(F)F)cc2)c(F)c1
Show InChI InChI=1S/C21H13F7N2O2/c22-18-10-13(29)1-6-17(18)19(31)30-14-2-4-15(5-3-14)32-16-8-11(20(23,24)25)7-12(9-16)21(26,27)28/h1-10H,29H2,(H,30,31)
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University of Colorado Boulder

Curated by ChEMBL


Assay Description
Inhibition of human TLR7 expressed in HEK293 cells assessed as reduction in R848-induced NFkappaB production incubated for 16 hrs by quanti-blue SEAP...


J Med Chem 62: 10221-10244 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01201
BindingDB Entry DOI: 10.7270/Q2BP064W
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50514125
PNG
(CHEMBL4463190)
Show SMILES Fc1cccc(OC(F)(F)F)c1C(=O)Nc1ccc(Oc2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc1
Show InChI InChI=1S/C22H11F10NO3/c23-16-2-1-3-17(36-22(30,31)32)18(16)19(34)33-13-4-6-14(7-5-13)35-15-9-11(20(24,25)26)8-12(10-15)21(27,28)29/h1-10H,(H,33,34)
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University of Colorado Boulder

Curated by ChEMBL


Assay Description
Inhibition of human TLR7 expressed in HEK293 cells assessed as reduction in R848-induced NFkappaB production incubated for 16 hrs by quanti-blue SEAP...


J Med Chem 62: 10221-10244 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01201
BindingDB Entry DOI: 10.7270/Q2BP064W
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM50514125
PNG
(CHEMBL4463190)
Show SMILES Fc1cccc(OC(F)(F)F)c1C(=O)Nc1ccc(Oc2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc1
Show InChI InChI=1S/C22H11F10NO3/c23-16-2-1-3-17(36-22(30,31)32)18(16)19(34)33-13-4-6-14(7-5-13)35-15-9-11(20(24,25)26)8-12(10-15)21(27,28)29/h1-10H,(H,33,34)
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University of Colorado Boulder

Curated by ChEMBL


Assay Description
Inhibition of human TLR8 expressed in HEK293 cells assessed as reduction in R848-induced NFkappaB production incubated for 16 hrs by quanti-blue SEAP...


J Med Chem 62: 10221-10244 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01201
BindingDB Entry DOI: 10.7270/Q2BP064W
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50514154
PNG
(CHEMBL4581201)
Show SMILES FC(F)(F)c1cc(Oc2ccc(NC(=O)c3ccc4cc[nH]c4c3)cc2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C23H14F6N2O2/c24-22(25,26)15-10-16(23(27,28)29)12-19(11-15)33-18-5-3-17(4-6-18)31-21(32)14-2-1-13-7-8-30-20(13)9-14/h1-12,30H,(H,31,32)
PDB

UniProtKB/SwissProt

antibodypedia
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UniChem
Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



University of Colorado Boulder

Curated by ChEMBL


Assay Description
Inhibition of human TLR7 expressed in HEK293 cells assessed as reduction in R848-induced NFkappaB production incubated for 16 hrs by quanti-blue SEAP...


J Med Chem 62: 10221-10244 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01201
BindingDB Entry DOI: 10.7270/Q2BP064W
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50514123
PNG
(CHEMBL4460125)
Show SMILES Fc1cccc(I)c1C(=O)Nc1ccc(Oc2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc1
Show InChI InChI=1S/C21H11F7INO2/c22-16-2-1-3-17(29)18(16)19(31)30-13-4-6-14(7-5-13)32-15-9-11(20(23,24)25)8-12(10-15)21(26,27)28/h1-10H,(H,30,31)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



University of Colorado Boulder

Curated by ChEMBL


Assay Description
Inhibition of human TLR7 expressed in HEK293 cells assessed as reduction in R848-induced NFkappaB production incubated for 16 hrs by quanti-blue SEAP...


J Med Chem 62: 10221-10244 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01201
BindingDB Entry DOI: 10.7270/Q2BP064W
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM50514141
PNG
(CHEMBL4543348)
Show SMILES [O-][N+](=O)c1c(I)cccc1Oc1ccc(cc1)-c1nnco1
Show InChI InChI=1S/C14H8IN3O4/c15-11-2-1-3-12(13(11)18(19)20)22-10-6-4-9(5-7-10)14-17-16-8-21-14/h1-8H
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 86n/an/an/an/an/a



University of Colorado Boulder

Curated by ChEMBL


Assay Description
Binding affinity to human TLR8 (27 to 827 residues) expressed in HEK293 cells in presence of R848 by ITC analysis


J Med Chem 62: 10221-10244 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01201
BindingDB Entry DOI: 10.7270/Q2BP064W
More data for this
Ligand-Target Pair