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Compile Data Set for Download or QSAR

Found 5500 hits Enz. Inhib. hit(s) with Target = 'Toll-like receptor 8'   
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))
BDBM428533
PNG
(US10544143, Example 969 | US10730877, Example 969)
Show SMILES CC(C)c1c([nH]c2ccc(nc12)N1CCN(CC1)C(=O)CN(C)CCO)-c1cn2ncnc2c(C)c1C
Show InChI InChI=1S/C27H36N8O2/c1-17(2)24-25(20-14-35-27(28-16-29-35)19(4)18(20)3)30-21-6-7-22(31-26(21)24)33-8-10-34(11-9-33)23(37)15-32(5)12-13-36/h6-7,14,16-17,30,36H,8-13,15H2,1-5H3
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n/an/a 0.120n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
HEK-Blue-cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducible...


US Patent US10730877 (2020)

More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM428547
PNG
(US10544143, Example 983 | US10730877, Example 983)
Show SMILES CC(C)[C@H]1CN(CCN1)c1ccc2[nH]c(c(C(C)C)c2n1)-c1cn2ncnc2c(C)c1C
PDB

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n/an/a 0.120n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
HEK-Blue-cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducible...


US Patent US10544143 (2020)


BindingDB Entry DOI: 10.7270/Q2QF8W80
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM428533
PNG
(US10544143, Example 969 | US10730877, Example 969)
Show SMILES CC(C)c1c([nH]c2ccc(nc12)N1CCN(CC1)C(=O)CN(C)CCO)-c1cn2ncnc2c(C)c1C
Show InChI InChI=1S/C27H36N8O2/c1-17(2)24-25(20-14-35-27(28-16-29-35)19(4)18(20)3)30-21-6-7-22(31-26(21)24)33-8-10-34(11-9-33)23(37)15-32(5)12-13-36/h6-7,14,16-17,30,36H,8-13,15H2,1-5H3
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Bristol-Myers Squibb Company

US Patent


Assay Description
HEK-Blue-cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducible...


US Patent US10544143 (2020)


BindingDB Entry DOI: 10.7270/Q2QF8W80
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM428547
PNG
(US10544143, Example 983 | US10730877, Example 983)
Show SMILES CC(C)[C@H]1CN(CCN1)c1ccc2[nH]c(c(C(C)C)c2n1)-c1cn2ncnc2c(C)c1C
PDB

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n/an/a 0.120n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
HEK-Blue-cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducible...


US Patent US10730877 (2020)

More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM428465
PNG
(US10544143, Example 901 | US10730877, Example 901)
Show SMILES CC(C)c1c([nH]c2ccc(nc12)N1CCN(C[C@@H]1C)C(=O)CN1CC2(COC2)C1)-c1cn2ncnc2c(C)c1C
PDB

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Bristol-Myers Squibb Company

US Patent


Assay Description
HEK-Blue-cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducible...


US Patent US10730877 (2020)

More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM427673
PNG
(1-(4-(2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridi...)
Show SMILES CC(C)c1c([nH]c2ccc(nc12)N1CCN(CC(C)(C)O)CC1)-c1cn2ncnc2c(C)c1C
Show InChI InChI=1S/C26H35N7O/c1-16(2)22-23(19-13-33-25(27-15-28-33)18(4)17(19)3)29-20-7-8-21(30-24(20)22)32-11-9-31(10-12-32)14-26(5,6)34/h7-8,13,15-16,29,34H,9-12,14H2,1-6H3
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Bristol-Myers Squibb Company

US Patent


Assay Description
HEK-Blue-cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducible...


US Patent US10544143 (2020)


BindingDB Entry DOI: 10.7270/Q2QF8W80
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM428465
PNG
(US10544143, Example 901 | US10730877, Example 901)
Show SMILES CC(C)c1c([nH]c2ccc(nc12)N1CCN(C[C@@H]1C)C(=O)CN1CC2(COC2)C1)-c1cn2ncnc2c(C)c1C
PDB

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n/an/a 0.150n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
HEK-Blue-cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducible...


US Patent US10544143 (2020)


BindingDB Entry DOI: 10.7270/Q2QF8W80
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM427673
PNG
(1-(4-(2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridi...)
Show SMILES CC(C)c1c([nH]c2ccc(nc12)N1CCN(CC(C)(C)O)CC1)-c1cn2ncnc2c(C)c1C
Show InChI InChI=1S/C26H35N7O/c1-16(2)22-23(19-13-33-25(27-15-28-33)18(4)17(19)3)29-20-7-8-21(30-24(20)22)32-11-9-31(10-12-32)14-26(5,6)34/h7-8,13,15-16,29,34H,9-12,14H2,1-6H3
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Bristol-Myers Squibb Company

US Patent


Assay Description
HEK-Blue-cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducible...


US Patent US10730877 (2020)

More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM428448
PNG
(US10544143, Example 884 | US10730877, Example 884)
Show SMILES CC(C)c1c([nH]c2ccc(nc12)N1C[C@@H](C)N[C@H](C)C1)-c1cn2ncnc2c(C)c1C
PDB

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Bristol-Myers Squibb Company

US Patent


Assay Description
HEK-Blue-cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducible...


US Patent US10730877 (2020)

More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM428448
PNG
(US10544143, Example 884 | US10730877, Example 884)
Show SMILES CC(C)c1c([nH]c2ccc(nc12)N1C[C@@H](C)N[C@H](C)C1)-c1cn2ncnc2c(C)c1C
PDB

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n/an/a 0.170n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
HEK-Blue-cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducible...


US Patent US10544143 (2020)


BindingDB Entry DOI: 10.7270/Q2QF8W80
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM428633
PNG
(US10544143, Example 1069 | US10544143, Example 107...)
Show SMILES COc1cc(cn2ncnc12)-c1[nH]c2ccc(nc2c1C(C)C)C1CCC(CC1)N1CC2(C1)CCOC2
Show InChI InChI=1S/C29H36N6O2/c1-18(2)25-26(20-12-24(36-3)28-30-17-31-35(28)13-20)33-23-9-8-22(32-27(23)25)19-4-6-21(7-5-19)34-14-29(15-34)10-11-37-16-29/h8-9,12-13,17-19,21,33H,4-7,10-11,14-16H2,1-3H3
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Bristol-Myers Squibb Company

US Patent


Assay Description
HEK-Blue-cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducible...


US Patent US10544143 (2020)


BindingDB Entry DOI: 10.7270/Q2QF8W80
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM428633
PNG
(US10544143, Example 1069 | US10544143, Example 107...)
Show SMILES COc1cc(cn2ncnc12)-c1[nH]c2ccc(nc2c1C(C)C)C1CCC(CC1)N1CC2(C1)CCOC2
Show InChI InChI=1S/C29H36N6O2/c1-18(2)25-26(20-12-24(36-3)28-30-17-31-35(28)13-20)33-23-9-8-22(32-27(23)25)19-4-6-21(7-5-19)34-14-29(15-34)10-11-37-16-29/h8-9,12-13,17-19,21,33H,4-7,10-11,14-16H2,1-3H3
PDB

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n/an/a 0.170n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
HEK-Blue-cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducible...


US Patent US10730877 (2020)

More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM428552
PNG
(US10544143, Example 988 | US10730877, Example 988)
Show SMILES CC[C@H]1CNCCN1c1ccc2[nH]c(c(C(C)C)c2n1)-c1cn2ncnc2c(C)c1C
PDB

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n/an/a 0.230n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
HEK-Blue-cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducible...


US Patent US10730877 (2020)

More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM427618
PNG
(US10544143, Example 53 | US10730877, Example 53)
Show SMILES CC(C)c1c([nH]c2ccc(nc12)N1CCC(CC1)NCCS(C)(=O)=O)-c1cn(C)c2ncccc12
Show InChI InChI=1S/C26H34N6O2S/c1-17(2)23-24(20-16-31(3)26-19(20)6-5-11-28-26)29-21-7-8-22(30-25(21)23)32-13-9-18(10-14-32)27-12-15-35(4,33)34/h5-8,11,16-18,27,29H,9-10,12-15H2,1-4H3
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Bristol-Myers Squibb Company

US Patent


Assay Description
HEK-Blue-cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducible...


US Patent US10544143 (2020)


BindingDB Entry DOI: 10.7270/Q2QF8W80
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM428552
PNG
(US10544143, Example 988 | US10730877, Example 988)
Show SMILES CC[C@H]1CNCCN1c1ccc2[nH]c(c(C(C)C)c2n1)-c1cn2ncnc2c(C)c1C
PDB

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n/an/a 0.230n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
HEK-Blue-cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducible...


US Patent US10544143 (2020)


BindingDB Entry DOI: 10.7270/Q2QF8W80
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM427618
PNG
(US10544143, Example 53 | US10730877, Example 53)
Show SMILES CC(C)c1c([nH]c2ccc(nc12)N1CCC(CC1)NCCS(C)(=O)=O)-c1cn(C)c2ncccc12
Show InChI InChI=1S/C26H34N6O2S/c1-17(2)23-24(20-16-31(3)26-19(20)6-5-11-28-26)29-21-7-8-22(30-25(21)23)32-13-9-18(10-14-32)27-12-15-35(4,33)34/h5-8,11,16-18,27,29H,9-10,12-15H2,1-4H3
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Bristol-Myers Squibb Company

US Patent


Assay Description
HEK-Blue-cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducible...


US Patent US10730877 (2020)

More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM428386
PNG
(US10544143, Example 822 | US10730877, Example 822)
Show SMILES CC(C)c1c([nH]c2ccc(nc12)N1CCN[C@H](C)C1)-c1cn2ncnc2c(C)c1C
PDB

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Bristol-Myers Squibb Company

US Patent


Assay Description
HEK-Blue-cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducible...


US Patent US10544143 (2020)


BindingDB Entry DOI: 10.7270/Q2QF8W80
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM428386
PNG
(US10544143, Example 822 | US10730877, Example 822)
Show SMILES CC(C)c1c([nH]c2ccc(nc12)N1CCN[C@H](C)C1)-c1cn2ncnc2c(C)c1C
PDB

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Bristol-Myers Squibb Company

US Patent


Assay Description
HEK-Blue-cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducible...


US Patent US10730877 (2020)

More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM427822
PNG
(US10544143, Example 255 | US10544143, Example 256 ...)
Show SMILES CC(C)c1c([nH]c2ccc(nc12)C1CCC(CC1)N1CC2(C1)CS(=O)(=O)C2)-c1cn(C)c2ncccc12
Show InChI InChI=1S/C29H35N5O2S/c1-18(2)25-26(22-13-33(3)28-21(22)5-4-12-30-28)32-24-11-10-23(31-27(24)25)19-6-8-20(9-7-19)34-14-29(15-34)16-37(35,36)17-29/h4-5,10-13,18-20,32H,6-9,14-17H2,1-3H3
PDB

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Bristol-Myers Squibb Company

US Patent


Assay Description
HEK-Blue-cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducible...


US Patent US10730877 (2020)

More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM427669
PNG
(US10544143, Example 101 | US10730877, Example 101)
Show SMILES CC(C)c1c([nH]c2ccc(nc12)N1CCN(CC1)C1CCOCC1)-c1cn2ncnc2c(C)c1C
Show InChI InChI=1S/C27H35N7O/c1-17(2)24-25(21-15-34-27(28-16-29-34)19(4)18(21)3)30-22-5-6-23(31-26(22)24)33-11-9-32(10-12-33)20-7-13-35-14-8-20/h5-6,15-17,20,30H,7-14H2,1-4H3
PDB

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Bristol-Myers Squibb Company

US Patent


Assay Description
HEK-Blue-cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducible...


US Patent US10730877 (2020)

More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM427669
PNG
(US10544143, Example 101 | US10730877, Example 101)
Show SMILES CC(C)c1c([nH]c2ccc(nc12)N1CCN(CC1)C1CCOCC1)-c1cn2ncnc2c(C)c1C
Show InChI InChI=1S/C27H35N7O/c1-17(2)24-25(21-15-34-27(28-16-29-34)19(4)18(21)3)30-22-5-6-23(31-26(22)24)33-11-9-32(10-12-33)20-7-13-35-14-8-20/h5-6,15-17,20,30H,7-14H2,1-4H3
PDB

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Bristol-Myers Squibb Company

US Patent


Assay Description
HEK-Blue-cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducible...


US Patent US10544143 (2020)


BindingDB Entry DOI: 10.7270/Q2QF8W80
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM427822
PNG
(US10544143, Example 255 | US10544143, Example 256 ...)
Show SMILES CC(C)c1c([nH]c2ccc(nc12)C1CCC(CC1)N1CC2(C1)CS(=O)(=O)C2)-c1cn(C)c2ncccc12
Show InChI InChI=1S/C29H35N5O2S/c1-18(2)25-26(22-13-33(3)28-21(22)5-4-12-30-28)32-24-11-10-23(31-27(24)25)19-6-8-20(9-7-19)34-14-29(15-34)16-37(35,36)17-29/h4-5,10-13,18-20,32H,6-9,14-17H2,1-3H3
PDB

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Bristol-Myers Squibb Company

US Patent


Assay Description
HEK-Blue-cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducible...


US Patent US10544143 (2020)


BindingDB Entry DOI: 10.7270/Q2QF8W80
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM428528
PNG
(US10544143, Example 1034 | US10544143, Example 964...)
Show SMILES CNCCC(=O)N1C[C@H](C)N(C[C@H]1C)c1ccc2[nH]c(c(C(C)C)c2n1)-c1cn2ncnc2c(C)c1C
PDB

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Bristol-Myers Squibb Company

US Patent


Assay Description
HEK-Blue-cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducible...


US Patent US10544143 (2020)


BindingDB Entry DOI: 10.7270/Q2QF8W80
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM428528
PNG
(US10544143, Example 1034 | US10544143, Example 964...)
Show SMILES CNCCC(=O)N1C[C@H](C)N(C[C@H]1C)c1ccc2[nH]c(c(C(C)C)c2n1)-c1cn2ncnc2c(C)c1C
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Bristol-Myers Squibb Company

US Patent


Assay Description
HEK-Blue-cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducible...


US Patent US10730877 (2020)

More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM428472
PNG
(US10544143, Example 908 | US10730877, Example 908)
Show SMILES CC(C)c1c([nH]c2ccc(nc12)N1C[C@@H](C)N(C[C@@H]1C)C(=O)CCN1CC2(COC2)C1)-c1cn2ncnc2c(C)c1C
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Bristol-Myers Squibb Company

US Patent


Assay Description
HEK-Blue-cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducible...


US Patent US10730877 (2020)

More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM427714
PNG
(US10544143, Example 147 | US10730877, Example 147)
Show SMILES CC(C)c1c([nH]c2ccc(nc12)N1CCN(CCCS(C)(=O)=O)CC1)-c1cn2ncnc2c(C)c1C
Show InChI InChI=1S/C26H35N7O2S/c1-17(2)23-24(20-15-33-26(27-16-28-33)19(4)18(20)3)29-21-7-8-22(30-25(21)23)32-12-10-31(11-13-32)9-6-14-36(5,34)35/h7-8,15-17,29H,6,9-14H2,1-5H3
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Bristol-Myers Squibb Company

US Patent


Assay Description
HEK-Blue-cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducible...


US Patent US10544143 (2020)


BindingDB Entry DOI: 10.7270/Q2QF8W80
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM428472
PNG
(US10544143, Example 908 | US10730877, Example 908)
Show SMILES CC(C)c1c([nH]c2ccc(nc12)N1C[C@@H](C)N(C[C@@H]1C)C(=O)CCN1CC2(COC2)C1)-c1cn2ncnc2c(C)c1C
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Bristol-Myers Squibb Company

US Patent


Assay Description
HEK-Blue-cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducible...


US Patent US10544143 (2020)


BindingDB Entry DOI: 10.7270/Q2QF8W80
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM427714
PNG
(US10544143, Example 147 | US10730877, Example 147)
Show SMILES CC(C)c1c([nH]c2ccc(nc12)N1CCN(CCCS(C)(=O)=O)CC1)-c1cn2ncnc2c(C)c1C
Show InChI InChI=1S/C26H35N7O2S/c1-17(2)23-24(20-15-33-26(27-16-28-33)19(4)18(20)3)29-21-7-8-22(30-25(21)23)32-12-10-31(11-13-32)9-6-14-36(5,34)35/h7-8,15-17,29H,6,9-14H2,1-5H3
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Bristol-Myers Squibb Company

US Patent


Assay Description
HEK-Blue-cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducible...


US Patent US10730877 (2020)

More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM427564
PNG
(6-(3-isopropyl-5-(piperazin-1-yl)-1H-pyrrolo[3,2-b...)
Show SMILES CC(C)c1c([nH]c2ccc(nc12)N1CCNCC1)-c1cn2ncnc2c(C)c1C
Show InChI InChI=1S/C22H27N7/c1-13(2)19-20(16-11-29-22(24-12-25-29)15(4)14(16)3)26-17-5-6-18(27-21(17)19)28-9-7-23-8-10-28/h5-6,11-13,23,26H,7-10H2,1-4H3
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Bristol-Myers Squibb Company

US Patent


Assay Description
HEK-Blue-cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducible...


US Patent US10544143 (2020)


BindingDB Entry DOI: 10.7270/Q2QF8W80
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM427564
PNG
(6-(3-isopropyl-5-(piperazin-1-yl)-1H-pyrrolo[3,2-b...)
Show SMILES CC(C)c1c([nH]c2ccc(nc12)N1CCNCC1)-c1cn2ncnc2c(C)c1C
Show InChI InChI=1S/C22H27N7/c1-13(2)19-20(16-11-29-22(24-12-25-29)15(4)14(16)3)26-17-5-6-18(27-21(17)19)28-9-7-23-8-10-28/h5-6,11-13,23,26H,7-10H2,1-4H3
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Bristol-Myers Squibb Company

US Patent


Assay Description
HEK-Blue-cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducible...


US Patent US10730877 (2020)

More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM427663
PNG
(6-(3-isopropyl-5-(4-methylpiperazin-1-yl)-1H-pyrro...)
Show SMILES CC(C)c1c([nH]c2ccc(nc12)N1CCN(C)CC1)-c1cn2ncnc2c(C)c1C
Show InChI InChI=1S/C23H29N7/c1-14(2)20-21(17-12-30-23(24-13-25-30)16(4)15(17)3)26-18-6-7-19(27-22(18)20)29-10-8-28(5)9-11-29/h6-7,12-14,26H,8-11H2,1-5H3
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Bristol-Myers Squibb Company

US Patent


Assay Description
HEK-Blue-cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducible...


US Patent US10730877 (2020)

More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM427663
PNG
(6-(3-isopropyl-5-(4-methylpiperazin-1-yl)-1H-pyrro...)
Show SMILES CC(C)c1c([nH]c2ccc(nc12)N1CCN(C)CC1)-c1cn2ncnc2c(C)c1C
Show InChI InChI=1S/C23H29N7/c1-14(2)20-21(17-12-30-23(24-13-25-30)16(4)15(17)3)26-18-6-7-19(27-22(18)20)29-10-8-28(5)9-11-29/h6-7,12-14,26H,8-11H2,1-5H3
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Bristol-Myers Squibb Company

US Patent


Assay Description
HEK-Blue-cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducible...


US Patent US10544143 (2020)


BindingDB Entry DOI: 10.7270/Q2QF8W80
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM427674
PNG
(US10544143, Example 106 | US10730877, Example 106)
Show SMILES COc1cc(cn2ncnc12)-c1[nH]c2ccc(nc2c1C(C)C)N1CCN(CC(C)(C)O)CC1
Show InChI InChI=1S/C25H33N7O2/c1-16(2)21-22(17-12-19(34-5)24-26-15-27-32(24)13-17)28-18-6-7-20(29-23(18)21)31-10-8-30(9-11-31)14-25(3,4)33/h6-7,12-13,15-16,28,33H,8-11,14H2,1-5H3
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Bristol-Myers Squibb Company

US Patent


Assay Description
HEK-Blue-cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducible...


US Patent US10544143 (2020)


BindingDB Entry DOI: 10.7270/Q2QF8W80
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM427674
PNG
(US10544143, Example 106 | US10730877, Example 106)
Show SMILES COc1cc(cn2ncnc12)-c1[nH]c2ccc(nc2c1C(C)C)N1CCN(CC(C)(C)O)CC1
Show InChI InChI=1S/C25H33N7O2/c1-16(2)21-22(17-12-19(34-5)24-26-15-27-32(24)13-17)28-18-6-7-20(29-23(18)21)31-10-8-30(9-11-31)14-25(3,4)33/h6-7,12-13,15-16,28,33H,8-11,14H2,1-5H3
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Bristol-Myers Squibb Company

US Patent


Assay Description
HEK-Blue-cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducible...


US Patent US10730877 (2020)

More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM428523
PNG
(US10544143, Example 959 | US10730877, Example 959)
Show SMILES CC(C)c1c([nH]c2ccc(nc12)N1C[C@@H](C)N(C[C@@H]1C)C(=O)CCN1CC2(C1)CS(=O)(=O)C2)-c1cn2ncnc2c(C)c1C
PDB

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Bristol-Myers Squibb Company

US Patent


Assay Description
HEK-Blue-cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducible...


US Patent US10544143 (2020)


BindingDB Entry DOI: 10.7270/Q2QF8W80
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM428523
PNG
(US10544143, Example 959 | US10730877, Example 959)
Show SMILES CC(C)c1c([nH]c2ccc(nc12)N1C[C@@H](C)N(C[C@@H]1C)C(=O)CCN1CC2(C1)CS(=O)(=O)C2)-c1cn2ncnc2c(C)c1C
PDB

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Bristol-Myers Squibb Company

US Patent


Assay Description
HEK-Blue-cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducible...


US Patent US10730877 (2020)

More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM428023
PNG
(US10544143, Example 457 | US10544143, Example 458 ...)
Show SMILES CC(C)c1c([nH]c2ccc(nc12)C1CCC(CC1)N(CCS(C)(=O)=O)CC#N)-c1cn2ncnc2c(C)c1C
Show InChI InChI=1S/C29H37N7O2S/c1-18(2)26-27(23-16-36-29(31-17-32-36)20(4)19(23)3)34-25-11-10-24(33-28(25)26)21-6-8-22(9-7-21)35(13-12-30)14-15-39(5,37)38/h10-11,16-18,21-22,34H,6-9,13-15H2,1-5H3
PDB

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Bristol-Myers Squibb Company

US Patent


Assay Description
HEK-Blue-cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducible...


US Patent US10544143 (2020)


BindingDB Entry DOI: 10.7270/Q2QF8W80
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM428023
PNG
(US10544143, Example 457 | US10544143, Example 458 ...)
Show SMILES CC(C)c1c([nH]c2ccc(nc12)C1CCC(CC1)N(CCS(C)(=O)=O)CC#N)-c1cn2ncnc2c(C)c1C
Show InChI InChI=1S/C29H37N7O2S/c1-18(2)26-27(23-16-36-29(31-17-32-36)20(4)19(23)3)34-25-11-10-24(33-28(25)26)21-6-8-22(9-7-21)35(13-12-30)14-15-39(5,37)38/h10-11,16-18,21-22,34H,6-9,13-15H2,1-5H3
PDB

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Bristol-Myers Squibb Company

US Patent


Assay Description
HEK-Blue-cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducible...


US Patent US10730877 (2020)

More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM428553
PNG
(US10544143, Example 989 | US10730877, Example 989)
Show SMILES CC(C)c1c([nH]c2ccc(nc12)N1CCN[C@@H](C)C1)-c1cn2ncnc2c(C)c1C
PDB

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Bristol-Myers Squibb Company

US Patent


Assay Description
HEK-Blue-cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducible...


US Patent US10544143 (2020)


BindingDB Entry DOI: 10.7270/Q2QF8W80
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM428553
PNG
(US10544143, Example 989 | US10730877, Example 989)
Show SMILES CC(C)c1c([nH]c2ccc(nc12)N1CCN[C@@H](C)C1)-c1cn2ncnc2c(C)c1C
PDB

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Bristol-Myers Squibb Company

US Patent


Assay Description
HEK-Blue-cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducible...


US Patent US10730877 (2020)

More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM428524
PNG
(US10544143, Example 960 | US10730877, Example 960)
Show SMILES CC(C)c1c([nH]c2ccc(nc12)N1C[C@@H](C)N(C[C@@H]1C)C(=O)CCN1CC2(C1)CCOC2)-c1cn2ncnc2c(C)c1C
PDB

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Bristol-Myers Squibb Company

US Patent


Assay Description
HEK-Blue-cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducible...


US Patent US10730877 (2020)

More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM428555
PNG
(US10544143, Example 991 | US10730877, Example 991)
Show SMILES CC(C)c1c([nH]c2ccc(nc12)N1C[C@H](C)NC[C@@H]1C)-c1cn2ncnc2c(C)c1C
PDB

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Bristol-Myers Squibb Company

US Patent


Assay Description
HEK-Blue-cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducible...


US Patent US10730877 (2020)

More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM427907
PNG
(US10544143, Example 341 | US10544143, Example 342 ...)
Show SMILES COc1cc(cn2ncnc12)-c1[nH]c2cc(F)c(nc2c1C(C)C)C1CCC(CC1)NCC1(C)COC1
Show InChI InChI=1S/C28H35FN6O2/c1-16(2)23-25(18-9-22(36-4)27-31-15-32-35(27)11-18)33-21-10-20(29)24(34-26(21)23)17-5-7-19(8-6-17)30-12-28(3)13-37-14-28/h9-11,15-17,19,30,33H,5-8,12-14H2,1-4H3
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Bristol-Myers Squibb Company

US Patent


Assay Description
HEK-Blue-cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducible...


US Patent US10544143 (2020)


BindingDB Entry DOI: 10.7270/Q2QF8W80
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM428524
PNG
(US10544143, Example 960 | US10730877, Example 960)
Show SMILES CC(C)c1c([nH]c2ccc(nc12)N1C[C@@H](C)N(C[C@@H]1C)C(=O)CCN1CC2(C1)CCOC2)-c1cn2ncnc2c(C)c1C
PDB

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Bristol-Myers Squibb Company

US Patent


Assay Description
HEK-Blue-cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducible...


US Patent US10544143 (2020)


BindingDB Entry DOI: 10.7270/Q2QF8W80
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM428555
PNG
(US10544143, Example 991 | US10730877, Example 991)
Show SMILES CC(C)c1c([nH]c2ccc(nc12)N1C[C@H](C)NC[C@@H]1C)-c1cn2ncnc2c(C)c1C
PDB

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Bristol-Myers Squibb Company

US Patent


Assay Description
HEK-Blue-cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducible...


US Patent US10544143 (2020)


BindingDB Entry DOI: 10.7270/Q2QF8W80
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM427907
PNG
(US10544143, Example 341 | US10544143, Example 342 ...)
Show SMILES COc1cc(cn2ncnc12)-c1[nH]c2cc(F)c(nc2c1C(C)C)C1CCC(CC1)NCC1(C)COC1
Show InChI InChI=1S/C28H35FN6O2/c1-16(2)23-25(18-9-22(36-4)27-31-15-32-35(27)11-18)33-21-10-20(29)24(34-26(21)23)17-5-7-19(8-6-17)30-12-28(3)13-37-14-28/h9-11,15-17,19,30,33H,5-8,12-14H2,1-4H3
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Bristol-Myers Squibb Company

US Patent


Assay Description
HEK-Blue-cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducible...


US Patent US10730877 (2020)

More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM428391
PNG
(US10544143, Example 827 | US10730877, Example 827)
Show SMILES CC(C)NCC(=O)N1CCN([C@@H](C)C1)c1ccc2[nH]c(c(C(C)C)c2n1)-c1cn2ncnc2c(C)c1C
PDB

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Bristol-Myers Squibb Company

US Patent


Assay Description
HEK-Blue-cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducible...


US Patent US10544143 (2020)


BindingDB Entry DOI: 10.7270/Q2QF8W80
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM428391
PNG
(US10544143, Example 827 | US10730877, Example 827)
Show SMILES CC(C)NCC(=O)N1CCN([C@@H](C)C1)c1ccc2[nH]c(c(C(C)C)c2n1)-c1cn2ncnc2c(C)c1C
PDB

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antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/a 0.340n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
HEK-Blue-cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducible...


US Patent US10730877 (2020)

More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM428106
PNG
(US10544143, Example 541 | US10730877, Example 541)
Show SMILES CC(C)c1c([nH]c2ccc(nc12)C1CCN(CC(C)(C)O)CC1)-c1cn2ncnc2c(C)c1C
Show InChI InChI=1S/C27H36N6O/c1-16(2)23-24(20-13-33-26(28-15-29-33)18(4)17(20)3)31-22-8-7-21(30-25(22)23)19-9-11-32(12-10-19)14-27(5,6)34/h7-8,13,15-16,19,31,34H,9-12,14H2,1-6H3
PDB

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n/an/a 0.360n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
HEK-Blue-cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducible...


US Patent US10544143 (2020)


BindingDB Entry DOI: 10.7270/Q2QF8W80
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM428106
PNG
(US10544143, Example 541 | US10730877, Example 541)
Show SMILES CC(C)c1c([nH]c2ccc(nc12)C1CCN(CC(C)(C)O)CC1)-c1cn2ncnc2c(C)c1C
Show InChI InChI=1S/C27H36N6O/c1-16(2)23-24(20-13-33-26(28-15-29-33)18(4)17(20)3)31-22-8-7-21(30-25(22)23)19-9-11-32(12-10-19)14-27(5,6)34/h7-8,13,15-16,19,31,34H,9-12,14H2,1-6H3
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.360n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
HEK-Blue-cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducible...


US Patent US10730877 (2020)

More data for this
Ligand-Target Pair
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