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Compile Data Set for Download or QSAR

Found 3210 hits Enz. Inhib. hit(s) with all data for entry = 8909   
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 7


(Homo sapiens (Human))		BDBM427894
PNG
(US10544143, Example 328 | US10544143, Example 329 ...)
Show SMILES COc1cc(cn2ncnc12)-c1[nH]c2cc(C)c(nc2c1C(C)C)C1CCC(CC1)NC1CCOC1 |(10.05,1.98,;8.51,1.98,;7.74,.65,;6.2,.65,;5.43,-.69,;6.2,-2.02,;7.74,-2.02,;8.77,-3.16,;10.18,-2.54,;10.02,-1.01,;8.51,-.69,;3.89,-.69,;2.99,-1.93,;1.52,-1.46,;.19,-2.23,;-1.14,-1.46,;-2.48,-2.23,;-1.14,.08,;.19,.85,;1.52,.08,;2.99,.56,;3.39,2.05,;2.3,3.14,;4.87,2.45,;-2.48,.85,;-3.81,.08,;-5.14,.85,;-5.14,2.39,;-3.81,3.16,;-2.48,2.39,;-6.48,3.16,;-7.81,2.39,;-9.28,2.87,;-10.18,1.62,;-9.28,.38,;-7.81,.85,)|
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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 7


(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 |(10.81,1.71,;9.27,1.71,;8.5,.38,;6.96,.38,;6.19,-.96,;6.96,-2.29,;8.5,-2.29,;9.53,-3.44,;10.93,-2.81,;10.77,-1.28,;9.27,-.96,;4.65,-.96,;3.74,-2.2,;2.28,-1.73,;.94,-2.5,;-.39,-1.73,;-.39,-.19,;.94,.58,;2.28,-.19,;3.74,.29,;4.14,1.78,;5.63,2.17,;3.05,2.87,;-1.88,.21,;-2.28,1.7,;-3.76,2.1,;-4.85,1.01,;-4.45,-.48,;-2.97,-.88,;-6.34,1.41,;-7.11,2.74,;-8.44,1.97,;-7.67,.64,;-9.69,1.07,;-10.93,1.97,;-10.46,3.44,;-8.92,3.44,)|
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 7


(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 |(9.81,1.98,;8.27,1.98,;7.5,.65,;5.96,.65,;5.19,-.69,;5.96,-2.02,;7.5,-2.02,;8.53,-3.16,;9.94,-2.54,;9.78,-1.01,;8.27,-.69,;3.65,-.69,;2.75,-1.93,;1.28,-1.46,;-.05,-2.23,;-1.39,-1.46,;-2.72,-2.23,;-1.39,.08,;-.05,.85,;1.28,.08,;2.75,.56,;3.15,2.05,;2.06,3.14,;4.63,2.45,;-2.72,.85,;-4.05,.08,;-5.39,.85,;-5.39,2.39,;-4.05,3.16,;-2.72,2.39,;-6.72,3.16,;-8.05,2.39,;-8.05,.85,;-6.72,.08,;-9.54,1.25,;-9.94,-.23,;-8.45,-.63,)|
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))		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 |r|
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))		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 7


(Homo sapiens (Human))		BDBM427891
PNG
(US10544143, Example 325 | US10544143, Example 326 ...)
Show SMILES COc1cc(cn2ncnc12)-c1[nH]c2cc(C)c(nc2c1C(C)C)C1CCC(CC1)N1CCC1 |(9.15,1.24,;7.61,1.24,;6.84,-.1,;5.3,-.1,;4.53,-1.43,;5.3,-2.76,;6.84,-2.76,;7.87,-3.91,;9.27,-3.28,;9.11,-1.75,;7.61,-1.43,;2.99,-1.43,;2.08,-2.68,;.62,-2.2,;-.72,-2.97,;-2.05,-2.2,;-3.39,-2.97,;-2.05,-.66,;-.72,.11,;.62,-.66,;2.08,-.18,;2.48,1.3,;1.39,2.39,;3.97,1.7,;-3.39,.11,;-4.72,-.66,;-6.05,.11,;-6.05,1.65,;-4.72,2.42,;-3.39,1.65,;-7.39,2.42,;-7.79,3.91,;-9.27,3.51,;-8.87,2.02,)|
Show InChI InChI=1S/C27H34N6O/c1-16(2)23-25(19-13-22(34-4)27-28-15-29-33(27)14-19)30-21-12-17(3)24(31-26(21)23)18-6-8-20(9-7-18)32-10-5-11-32/h12-16,18,20,30H,5-11H2,1-4H3
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n/an/a 0.130n/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 7


(Homo sapiens (Human))		BDBM427896
PNG
(US10544143, Example 330 | US10544143, Example 331 ...)
Show SMILES COc1cc(cn2ncnc12)-c1[nH]c2cc(C)c(nc2c1C(C)C)C1CCC(CC1)N(C)C1COC1 |(9.81,1.21,;8.27,1.21,;7.5,-.12,;5.96,-.12,;5.19,-1.46,;5.96,-2.79,;7.5,-2.79,;8.53,-3.93,;9.94,-3.31,;9.78,-1.78,;8.27,-1.46,;3.65,-1.46,;2.75,-2.7,;1.28,-2.23,;-.05,-3,;-1.39,-2.23,;-2.72,-3,;-1.39,-.69,;-.05,.08,;1.28,-.69,;2.75,-.21,;3.15,1.28,;2.06,2.37,;4.63,1.68,;-2.72,.08,;-4.05,-.69,;-5.39,.08,;-5.39,1.62,;-4.05,2.39,;-2.72,1.62,;-6.72,2.39,;-6.72,3.93,;-8.05,1.62,;-9.54,2.02,;-9.94,.54,;-8.45,.14,)|
Show InChI InChI=1S/C28H36N6O2/c1-16(2)24-26(19-11-23(35-5)28-29-15-30-34(28)12-19)31-22-10-17(3)25(32-27(22)24)18-6-8-20(9-7-18)33(4)21-13-36-14-21/h10-12,15-16,18,20-21,31H,6-9,13-14H2,1-5H3
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n/an/a 0.140n/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 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 |r|
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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 7


(Homo sapiens (Human))		BDBM427762
PNG
(US10544143, Example 195 | US10544143, Example 199)
Show SMILES COc1cc(cn2ncnc12)-c1[nH]c2ccc(nc2c1C(C)C)C1CCC(CC1)N1CCCC1 |(9.38,.97,;7.84,.97,;7.07,-.36,;5.53,-.36,;4.76,-1.69,;5.53,-3.03,;7.07,-3.03,;8.1,-4.17,;9.51,-3.55,;9.35,-2.01,;7.84,-1.69,;3.22,-1.69,;2.31,-2.94,;.85,-2.46,;-.48,-3.23,;-1.82,-2.46,;-1.82,-.92,;-.48,-.15,;.85,-.92,;2.31,-.45,;2.71,1.04,;1.62,2.13,;4.2,1.44,;-3.15,-.15,;-4.49,-.92,;-5.82,-.15,;-5.82,1.39,;-4.49,2.16,;-3.15,1.39,;-7.15,2.16,;-7.14,3.7,;-8.6,4.17,;-9.51,2.93,;-8.6,1.68,)|
Show InChI InChI=1S/C27H34N6O/c1-17(2)24-25(19-14-23(34-3)27-28-16-29-33(27)15-19)31-22-11-10-21(30-26(22)24)18-6-8-20(9-7-18)32-12-4-5-13-32/h10-11,14-18,20,31H,4-9,12-13H2,1-3H3
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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 7


(Homo sapiens (Human))		BDBM427884
PNG
(US10544143, Example 318 | US10544143, Example 323 ...)
Show SMILES COc1cc(cn2ncnc12)-c1[nH]c2cc(C)c(nc2c1C(C)C)C1CCC(N)CC1 |(8.2,1.98,;6.66,1.98,;5.89,.65,;4.35,.65,;3.58,-.69,;4.35,-2.02,;5.89,-2.02,;6.92,-3.16,;8.33,-2.54,;8.17,-1.01,;6.66,-.69,;2.04,-.69,;1.14,-1.93,;-.33,-1.46,;-1.66,-2.23,;-2.99,-1.46,;-4.33,-2.23,;-2.99,.08,;-1.66,.85,;-.33,.08,;1.14,.56,;1.54,2.05,;.45,3.14,;3.02,2.45,;-4.33,.85,;-5.66,.08,;-7,.85,;-7,2.39,;-8.33,3.16,;-5.66,3.16,;-4.33,2.39,)|
Show InChI InChI=1S/C24H30N6O/c1-13(2)20-22(16-10-19(31-4)24-26-12-27-30(24)11-16)28-18-9-14(3)21(29-23(18)20)15-5-7-17(25)8-6-15/h9-13,15,17,28H,5-8,25H2,1-4H3
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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))		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 |r|
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))		BDBM428633
PNG
(US10544143, Example 1069 | US10544143, Example 107...)
Show SMILES COc1cc(cn2ncnc12)-c1[nH]c2ccc(nc2c1C(C)C)C1CCC(CC1)N1CC2(C1)CCOC2 |(10.81,1.71,;9.27,1.71,;8.5,.38,;6.96,.38,;6.19,-.96,;6.96,-2.29,;8.5,-2.29,;9.53,-3.44,;10.93,-2.81,;10.77,-1.28,;9.27,-.96,;4.65,-.96,;3.74,-2.2,;2.28,-1.73,;.94,-2.5,;-.39,-1.73,;-.39,-.19,;.94,.58,;2.28,-.19,;3.74,.29,;4.14,1.78,;5.63,2.17,;3.05,2.87,;-1.88,.21,;-2.28,1.7,;-3.76,2.1,;-4.85,1.01,;-4.45,-.48,;-2.97,-.88,;-6.34,1.41,;-7.11,2.74,;-8.44,1.97,;-7.67,.64,;-9.69,1.07,;-10.93,1.97,;-10.46,3.44,;-8.92,3.44,)|
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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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 7


(Homo sapiens (Human))		BDBM428604
PNG
(US10544143, Example 1040 | US10544143, Example 105...)
Show SMILES CC(C)c1c([nH]c2ccc(nc12)C1CCC(CC1)N1CC(C)(C)C1)-c1cn2ncnc2c(C)c1C |(4.74,1.33,;3.25,.93,;2.16,2.02,;2.85,-.56,;3.76,-1.8,;2.85,-3.05,;1.39,-2.57,;.05,-3.34,;-1.28,-2.57,;-1.28,-1.03,;.05,-.26,;1.39,-1.03,;-2.62,-.26,;-2.62,1.28,;-3.95,2.05,;-5.28,1.28,;-5.28,-.26,;-3.95,-1.03,;-6.62,2.05,;-7.02,3.53,;-8.5,3.14,;-10.04,3.14,;-9.27,4.47,;-8.1,1.65,;5.3,-1.8,;6.07,-.47,;7.61,-.47,;8.64,.68,;10.04,.05,;9.88,-1.48,;8.38,-1.8,;7.61,-3.14,;8.38,-4.47,;6.07,-3.14,;5.3,-4.47,)|
Show InChI InChI=1S/C29H38N6/c1-17(2)25-26(22-13-35-28(30-16-31-35)19(4)18(22)3)33-24-12-11-23(32-27(24)25)20-7-9-21(10-8-20)34-14-29(5,6)15-34/h11-13,16-17,20-21,33H,7-10,14-15H2,1-6H3
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 7


(Homo sapiens (Human))		BDBM428090
PNG
(US10544143, Example 525 | US10730877, Example 525 ...)
Show SMILES CC(C)c1c([nH]c2cc(C)c(nc12)C1CCNCC1)-c1cc(C)c2ncnn2c1
Show InChI InChI=1S/C23H28N6/c1-13(2)19-21(17-9-15(4)23-25-12-26-29(23)11-17)27-18-10-14(3)20(28-22(18)19)16-5-7-24-8-6-16/h9-13,16,24,27H,5-8H2,1-4H3
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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 7


(Homo sapiens (Human))		BDBM428372
PNG
(US10544143, Example 808 | US10544143, Example 838 ...)
Show SMILES CC(C)c1c([nH]c2ccc(nc12)N1CCN(C[C@H]1C)C(=O)CN(C)C)-c1cn2ncnc2c(C)c1C |r|
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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 7


(Homo sapiens (Human))		BDBM427909
PNG
(US10544143, Example 343 | US10544143, Example 344 ...)
Show SMILES COc1cc(cn2ncnc12)-c1[nH]c2cc(F)c(nc2c1C(C)C)C1CCC(CC1)N1CC2(COC2)C1 |(10.09,.69,;8.55,.69,;7.78,-.64,;6.24,-.64,;5.47,-1.97,;6.24,-3.31,;7.78,-3.31,;8.81,-4.45,;10.22,-3.83,;10.05,-2.29,;8.55,-1.97,;3.93,-1.97,;3.02,-3.22,;1.56,-2.74,;.22,-3.51,;-1.11,-2.74,;-2.44,-3.51,;-1.11,-1.2,;.22,-.43,;1.56,-1.2,;3.02,-.73,;3.42,.76,;2.33,1.85,;4.91,1.16,;-2.44,-.43,;-3.78,-1.2,;-5.11,-.43,;-5.11,1.11,;-3.78,1.88,;-2.44,1.11,;-6.44,1.88,;-6.84,3.36,;-8.33,2.96,;-8.73,4.45,;-10.22,4.05,;-9.82,2.57,;-7.93,1.48,)|
Show InChI InChI=1S/C28H33FN6O2/c1-16(2)23-25(18-8-22(36-3)27-30-15-31-35(27)10-18)32-21-9-20(29)24(33-26(21)23)17-4-6-19(7-5-17)34-11-28(12-34)13-37-14-28/h8-10,15-17,19,32H,4-7,11-14H2,1-3H3
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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 7


(Homo sapiens (Human))		BDBM427905
PNG
(US10544143, Example 339 | US10544143, Example 340 ...)
Show SMILES COc1cc(cn2ncnc12)-c1[nH]c2cc(C)c(nc2c1C(C)C)C1CCC(CC1)N(C)CCC#N |(8.87,1.21,;7.33,1.21,;6.56,-.12,;5.02,-.12,;4.25,-1.46,;5.02,-2.79,;6.56,-2.79,;7.59,-3.93,;9,-3.31,;8.84,-1.78,;7.33,-1.46,;2.71,-1.46,;1.8,-2.7,;.34,-2.23,;-.99,-3,;-2.33,-2.23,;-3.66,-3,;-2.33,-.69,;-.99,.08,;.34,-.69,;1.8,-.21,;2.2,1.28,;1.11,2.37,;3.69,1.68,;-3.66,.08,;-5,-.69,;-6.33,.08,;-6.33,1.62,;-5,2.39,;-3.66,1.62,;-7.66,2.39,;-7.66,3.93,;-9,1.62,;-10.33,2.39,;-11.66,1.62,;-13,.85,)|
Show InChI InChI=1S/C28H35N7O/c1-17(2)24-26(20-14-23(36-5)28-30-16-31-35(28)15-20)32-22-13-18(3)25(33-27(22)24)19-7-9-21(10-8-19)34(4)12-6-11-29/h13-17,19,21,32H,6-10,12H2,1-5H3
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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 7


(Homo sapiens (Human))		BDBM427911
PNG
(US10544143, Example 345 | US10544143, Example 346 ...)
Show SMILES COc1cc(cn2ncnc12)-c1[nH]c2cc(F)c(nc2c1C(C)C)C1CCC(CC1)NC1COC1 |(9.81,1.98,;8.27,1.98,;7.5,.65,;5.96,.65,;5.19,-.69,;5.96,-2.02,;7.5,-2.02,;8.53,-3.16,;9.94,-2.54,;9.78,-1.01,;8.27,-.69,;3.65,-.69,;2.75,-1.93,;1.28,-1.46,;-.05,-2.23,;-1.39,-1.46,;-2.72,-2.23,;-1.39,.08,;-.05,.85,;1.28,.08,;2.75,.56,;3.15,2.05,;2.06,3.14,;4.63,2.45,;-2.72,.85,;-4.05,.08,;-5.39,.85,;-5.39,2.39,;-4.05,3.16,;-2.72,2.39,;-6.72,3.16,;-8.05,2.39,;-9.54,2.79,;-9.94,1.31,;-8.45,.91,)|
Show InChI InChI=1S/C26H31FN6O2/c1-14(2)22-24(16-8-21(34-3)26-28-13-29-33(26)10-16)31-20-9-19(27)23(32-25(20)22)15-4-6-17(7-5-15)30-18-11-35-12-18/h8-10,13-15,17-18,30-31H,4-7,11-12H2,1-3H3
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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 7


(Homo sapiens (Human))		BDBM427879
PNG
(US10544143, Example 313 | US10544143, Example 320 ...)
Show SMILES CCN(C)C1CCC(CC1)c1nc2c(C(C)C)c([nH]c2cc1C)-c1cc(OC)c2ncnn2c1 |(-9,.08,;-9,1.62,;-7.66,2.39,;-7.66,3.93,;-6.33,1.62,;-6.33,.08,;-5,-.69,;-3.66,.08,;-3.66,1.62,;-5,2.39,;-2.33,-.69,;-.99,.08,;.34,-.69,;1.8,-.21,;2.2,1.28,;1.11,2.37,;3.69,1.68,;2.71,-1.46,;1.8,-2.7,;.34,-2.23,;-.99,-3,;-2.33,-2.23,;-3.66,-3,;4.25,-1.46,;5.02,-.12,;6.56,-.12,;7.33,1.21,;8.87,1.21,;7.33,-1.46,;8.84,-1.78,;9,-3.31,;7.59,-3.93,;6.56,-2.79,;5.02,-2.79,)|
Show InChI InChI=1S/C27H36N6O/c1-7-32(5)20-10-8-18(9-11-20)24-17(4)12-21-26(31-24)23(16(2)3)25(30-21)19-13-22(34-6)27-28-15-29-33(27)14-19/h12-16,18,20,30H,7-11H2,1-6H3
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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 7


(Homo sapiens (Human))		BDBM428081
PNG
(US10544143, Example 516 | US10730877, Example 516 ...)
Show SMILES CC(C)c1c([nH]c2ccc(nc12)C1CCNCC1)-c1cc(C)c2ncnn2c1
Show InChI InChI=1S/C22H26N6/c1-13(2)19-20(16-10-14(3)22-24-12-25-28(22)11-16)27-18-5-4-17(26-21(18)19)15-6-8-23-9-7-15/h4-5,10-13,15,23,27H,6-9H2,1-3H3
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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))		BDBM428552
PNG
(US10544143, Example 988 | US10730877, Example 988 ...)
Show SMILES CC[C@H]1CNCCN1c1ccc2[nH]c(c(C(C)C)c2n1)-c1cn2ncnc2c(C)c1C |r|
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))		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))		BDBM428386
PNG
(US10544143, Example 822 | US10730877, Example 822 ...)
Show SMILES CC(C)c1c([nH]c2ccc(nc12)N1CCN[C@H](C)C1)-c1cn2ncnc2c(C)c1C |r|
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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 7


(Homo sapiens (Human))		BDBM428148
PNG
(US10544143, Example 584 | US10730877, Example 584 ...)
Show SMILES COc1cc(cn2ncnc12)-c1[nH]c2cc(C)c(nc2c1C(C)C)C1CCN(CC(=O)N(C)C)CC1
Show InChI InChI=1S/C27H35N7O2/c1-16(2)23-25(19-12-21(36-6)27-28-15-29-34(27)13-19)30-20-11-17(3)24(31-26(20)23)18-7-9-33(10-8-18)14-22(35)32(4)5/h11-13,15-16,18,30H,7-10,14H2,1-6H3
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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))		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 |(3.6,1.96,;4.69,.87,;6.17,1.27,;4.29,-.62,;5.19,-1.87,;4.29,-3.11,;2.82,-2.64,;1.49,-3.41,;.16,-2.64,;.16,-1.1,;1.49,-.33,;2.82,-1.1,;-1.18,-.33,;-2.51,-1.1,;-3.84,-.33,;-3.84,1.21,;-2.51,1.98,;-1.18,1.21,;-5.18,1.98,;-5.58,3.47,;-7.06,3.07,;-6.67,1.58,;-7.46,4.56,;-8.95,4.16,;-9.35,5.65,;-10.44,3.76,;-8.55,2.67,;6.73,-1.87,;7.64,-.62,;9.1,-1.1,;10.44,-.33,;9.1,-2.64,;10.25,-3.67,;9.93,-5.17,;8.46,-5.65,;7.32,-4.62,;7.64,-3.11,)|
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
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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))		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
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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 7


(Homo sapiens (Human))		BDBM428153
PNG
(US10544143, Example 589 | US10730877, Example 589 ...)
Show SMILES COc1cc(cn2ncnc12)-c1[nH]c2cc(C)c(nc2c1C(C)C)C1CCN(CC1)C1CCOCC1
Show InChI InChI=1S/C28H36N6O2/c1-17(2)24-26(20-14-23(35-4)28-29-16-30-34(28)15-20)31-22-13-18(3)25(32-27(22)24)19-5-9-33(10-6-19)21-7-11-36-12-8-21/h13-17,19,21,31H,5-12H2,1-4H3
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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))		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 |r|
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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 7


(Homo sapiens (Human))		BDBM427878
PNG
(US10544143, Example 312 | US10544143, Example 315 ...)
Show SMILES COc1cc(cn2ncnc12)-c1[nH]c2cc(C)c(nc2c1C(C)C)C1CCC(CC1)NCC1(C)COC1 |(9.54,1.98,;8,1.98,;7.23,.65,;5.69,.65,;4.92,-.69,;5.69,-2.02,;7.23,-2.02,;8.26,-3.16,;9.66,-2.54,;9.5,-1.01,;8,-.69,;3.38,-.69,;2.47,-1.93,;1.01,-1.46,;-.33,-2.23,;-1.66,-1.46,;-2.99,-2.23,;-1.66,.08,;-.33,.85,;1.01,.08,;2.47,.56,;2.87,2.05,;1.78,3.14,;4.36,2.45,;-2.99,.85,;-4.33,.08,;-5.66,.85,;-5.66,2.39,;-4.33,3.16,;-2.99,2.39,;-7,3.16,;-8.33,2.39,;-8.33,.85,;-9.66,1.62,;-7.24,-.23,;-8.33,-1.32,;-9.42,-.23,)|
Show InChI InChI=1S/C29H38N6O2/c1-17(2)24-26(20-11-23(36-5)28-31-16-32-35(28)12-20)33-22-10-18(3)25(34-27(22)24)19-6-8-21(9-7-19)30-13-29(4)14-37-15-29/h10-12,16-17,19,21,30,33H,6-9,13-15H2,1-5H3
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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))		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 |r|
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n/an/a 0.260n/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))		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 7


(Homo sapiens (Human))		BDBM427913
PNG
(US10544143, Example 347 | US10544143, Example 348 ...)
Show SMILES CNC1CCC(CC1)c1nc2c(C(C)C)c([nH]c2cc1F)-c1cc(OC)c2ncnn2c1 |(-9,2.39,;-7.66,3.16,;-6.33,2.39,;-6.33,.85,;-5,.08,;-3.66,.85,;-3.66,2.39,;-5,3.16,;-2.33,.08,;-.99,.85,;.34,.08,;1.8,.56,;2.2,2.05,;1.11,3.14,;3.69,2.45,;2.71,-.69,;1.8,-1.93,;.34,-1.46,;-.99,-2.23,;-2.33,-1.46,;-3.66,-2.23,;4.25,-.69,;5.02,.65,;6.56,.65,;7.33,1.98,;8.87,1.98,;7.33,-.69,;8.84,-1.01,;9,-2.54,;7.59,-3.16,;6.56,-2.02,;5.02,-2.02,)|
Show InChI InChI=1S/C24H29FN6O/c1-13(2)20-22(15-9-19(32-4)24-27-12-28-31(24)11-15)29-18-10-17(25)21(30-23(18)20)14-5-7-16(26-3)8-6-14/h9-14,16,26,29H,5-8H2,1-4H3
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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 7


(Homo sapiens (Human))		BDBM428112
PNG
(US10544143, Example 547 | US10730877, Example 547 ...)
Show SMILES CC(C)c1c([nH]c2ccc(nc12)C1CCN(CC(C)(C)O)CC1)-c1cc(C)c2ncnn2c1
Show InChI InChI=1S/C26H34N6O/c1-16(2)22-23(19-12-17(3)25-27-15-28-32(25)13-19)30-21-7-6-20(29-24(21)22)18-8-10-31(11-9-18)14-26(4,5)33/h6-7,12-13,15-16,18,30,33H,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 7


(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 |r|
PDB

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n/an/a 0.270n/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 7


(Homo sapiens (Human))		BDBM428522
PNG
(US10544143, Example 958 | US10730877, Example 958 ...)
Show SMILES CC(C)c1c([nH]c2ccc(nc12)N1C[C@@H](C)N(C[C@@H]1C)C(=O)CCN1CC2(CCO2)C1)-c1cn2ncnc2c(C)c1C |r|
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 7


(Homo sapiens (Human))		BDBM427744
PNG
(US10544143, Example 177 | US10544143, Example 179)
Show SMILES COc1cc(cn2ncnc12)-c1[nH]c2ccc(nc2c1C(C)C)C1CCC(CC1)N(C)C |(8.86,1.21,;7.32,1.21,;6.55,-.12,;5.01,-.12,;4.24,-1.46,;5.01,-2.79,;6.55,-2.79,;7.58,-3.93,;8.99,-3.31,;8.83,-1.78,;7.32,-1.46,;2.7,-1.46,;1.8,-2.7,;.33,-2.23,;-1,-3,;-2.34,-2.23,;-2.34,-.69,;-1,.08,;.33,-.69,;1.8,-.21,;2.19,1.28,;1.11,2.37,;3.68,1.68,;-3.67,.08,;-5,-.69,;-6.34,.08,;-6.34,1.62,;-5,2.39,;-3.67,1.62,;-7.67,2.39,;-7.67,3.93,;-8.99,1.62,)|
Show InChI InChI=1S/C25H32N6O/c1-15(2)22-23(17-12-21(32-5)25-26-14-27-31(25)13-17)29-20-11-10-19(28-24(20)22)16-6-8-18(9-7-16)30(3)4/h10-16,18,29H,6-9H2,1-5H3
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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))		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))		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 |r|
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 7


(Homo sapiens (Human))		BDBM428426
PNG
(US10544143, Example 862 | US10730877, Example 862 ...)
Show SMILES CC(C)c1c([nH]c2ccc(nc12)N1C[C@H](C)N([C@H](C)C1)C(=O)CN(C)C)-c1cn2ncnc2c(C)c1C |r|
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 7


(Homo sapiens (Human))		BDBM427755
PNG
(US10544143, Example 188 | US10544143, Example 189 ...)
Show SMILES CNC1CCC(CC1)c1ccc2[nH]c(c(C(C)C)c2n1)-c1cc(OC)c2ncnn2c1 |(-8.99,2.39,;-7.67,3.16,;-6.34,2.39,;-6.34,.85,;-5,.08,;-3.67,.85,;-3.67,2.39,;-5,3.16,;-2.34,.08,;-2.34,-1.46,;-1,-2.23,;.33,-1.46,;1.8,-1.93,;2.7,-.69,;1.8,.56,;2.19,2.05,;1.11,3.14,;3.68,2.45,;.33,.08,;-1,.85,;4.24,-.69,;5.01,.65,;6.55,.65,;7.32,1.98,;8.86,1.98,;7.32,-.69,;8.83,-1.01,;8.99,-2.54,;7.58,-3.16,;6.55,-2.02,;5.01,-2.02,)|
Show InChI InChI=1S/C24H30N6O/c1-14(2)21-22(16-11-20(31-4)24-26-13-27-30(24)12-16)29-19-10-9-18(28-23(19)21)15-5-7-17(25-3)8-6-15/h9-15,17,25,29H,5-8H2,1-4H3
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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 7


(Homo sapiens (Human))		BDBM427568
PNG
(N-(2-(dimethylamino)ethyl)-N-ethyl-3-isopropyl-2-(...)
Show SMILES CCN(CCN(C)C)C(=O)c1nc2c(C(C)C)c([nH]c2cc1C)-c1cc(OC)c2ncnn2c1
Show InChI InChI=1S/C25H33N7O2/c1-8-31(10-9-30(5)6)25(33)21-16(4)11-18-23(29-21)20(15(2)3)22(28-18)17-12-19(34-7)24-26-14-27-32(24)13-17/h11-15,28H,8-10H2,1-7H3
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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 |(2.45,1.69,;3.54,.6,;5.02,1,;3.14,-.89,;4.04,-2.13,;3.14,-3.38,;1.67,-2.9,;.34,-3.67,;-.99,-2.9,;-.99,-1.36,;.34,-.59,;1.67,-1.36,;-2.33,-.59,;-2.33,.95,;-3.66,1.72,;-5,.95,;-5,-.59,;-3.66,-1.36,;-6.33,1.72,;-7.66,.95,;-7.66,-.59,;-9,-1.36,;-9.77,-.03,;-8.23,-2.69,;-10.33,-2.13,;-6.33,3.26,;-5,4.03,;-3.66,4.8,;5.58,-2.13,;6.35,-.8,;7.89,-.8,;8.92,.35,;10.33,-.28,;10.17,-1.81,;8.66,-2.13,;7.89,-3.47,;8.66,-4.8,;6.35,-3.47,;5.58,-4.8,)|
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
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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 7


(Homo sapiens (Human))		BDBM428424
PNG
(US10544143, Example 860 | US10730877, Example 860 ...)
Show SMILES CC(C)c1c([nH]c2ccc(nc12)N1C[C@H](C)N([C@H](C)C1)C(=O)CCN(C)C)-c1cn2ncnc2c(C)c1C |r|
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 7


(Homo sapiens (Human))		BDBM428145
PNG
(US10544143, Example 581 | US10730877, Example 581 ...)
Show SMILES CC(C)c1c([nH]c2cc(C)c(nc12)C1CCN(CC(=O)N(C)C)CC1)-c1cc(C)c2ncnn2c1
Show InChI InChI=1S/C27H35N7O/c1-16(2)23-25(20-11-18(4)27-28-15-29-34(27)13-20)30-21-12-17(3)24(31-26(21)23)19-7-9-33(10-8-19)14-22(35)32(5)6/h11-13,15-16,19,30H,7-10,14H2,1-6H3
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 7


(Homo sapiens (Human))		BDBM427875
PNG
(US10544143, Example 309 | US10544143, Example 316 ...)
Show SMILES COc1cc(cn2ncnc12)-c1[nH]c2cc(C)c(nc2c1C(C)C)C1CCC(CC1)NC1COC1 |(9.81,1.98,;8.27,1.98,;7.5,.65,;5.96,.65,;5.19,-.69,;5.96,-2.02,;7.5,-2.02,;8.53,-3.16,;9.94,-2.54,;9.78,-1.01,;8.27,-.69,;3.65,-.69,;2.75,-1.93,;1.28,-1.46,;-.05,-2.23,;-1.39,-1.46,;-2.72,-2.23,;-1.39,.08,;-.05,.85,;1.28,.08,;2.75,.56,;3.15,2.05,;2.06,3.14,;4.63,2.45,;-2.72,.85,;-4.05,.08,;-5.39,.85,;-5.39,2.39,;-4.05,3.16,;-2.72,2.39,;-6.72,3.16,;-8.05,2.39,;-9.54,2.79,;-9.94,1.31,;-8.45,.91,)|
Show InChI InChI=1S/C27H34N6O2/c1-15(2)23-25(18-10-22(34-4)27-28-14-29-33(27)11-18)31-21-9-16(3)24(32-26(21)23)17-5-7-19(8-6-17)30-20-12-35-13-20/h9-11,14-15,17,19-20,30-31H,5-8,12-13H2,1-4H3
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 7


(Homo sapiens (Human))		BDBM427846
PNG
(US10544143, Example 279 | US10544143, Example 284 ...)
Show SMILES CC(C)c1c([nH]c2ccc(nc12)C1CCC(CC1)NC1COC1)-c1cc(C)c2ncnn2c1 |(2.06,3.14,;3.15,2.05,;4.63,2.45,;2.75,.56,;3.65,-.69,;2.75,-1.93,;1.28,-1.46,;-.05,-2.23,;-1.39,-1.46,;-1.39,.08,;-.05,.85,;1.28,.08,;-2.72,.85,;-4.05,.08,;-5.39,.85,;-5.39,2.39,;-4.05,3.16,;-2.72,2.39,;-6.72,3.16,;-8.05,2.39,;-9.54,2.79,;-9.94,1.31,;-8.45,.91,;5.19,-.69,;5.96,.65,;7.5,.65,;8.27,1.98,;8.27,-.69,;9.78,-1.01,;9.94,-2.54,;8.53,-3.16,;7.5,-2.02,;5.96,-2.02,)|
Show InChI InChI=1S/C26H32N6O/c1-15(2)23-24(18-10-16(3)26-27-14-28-32(26)11-18)31-22-9-8-21(30-25(22)23)17-4-6-19(7-5-17)29-20-12-33-13-20/h8-11,14-15,17,19-20,29,31H,4-7,12-13H2,1-3H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.310n/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 7


(Homo sapiens (Human))		BDBM428425
PNG
(US10544143, Example 861 | US10730877, Example 861 ...)
Show SMILES CC(C)c1c([nH]c2ccc(nc12)N1[C@H](C)CNC[C@H]1C)-c1cn2ncnc2c(C)c1C |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.310n/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
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