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SMILES: CC(C)c1c([nH]c2ccc(nc12)C1CCC(CC1)N1CC(C)(C)C1)-c1cn2ncnc2c(C)c1C

InChI Key: InChIKey=CXPNJFQHRUEUQN-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 428604   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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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antibodypedia
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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 9


(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
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n/an/a 5.92E+3n/an/an/an/an/an/a


TBA

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


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S46W4Z
More data for this
Ligand-Target Pair
Toll-like receptor 9


(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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UniChem
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n/an/a 1.11E+3n/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))
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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n/an/a 8.90n/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))
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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antibodypedia
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n/an/a 17n/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 9


(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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antibodypedia
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UniChem
US Patent
n/an/a 5.92E+3n/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))
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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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)


BindingDB Entry DOI: 10.7270/Q2H41VH3
More data for this
Ligand-Target Pair
Toll-like receptor 8


(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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n/an/a 0.660n/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)


BindingDB Entry DOI: 10.7270/Q2H41VH3
More data for this
Ligand-Target Pair
Toll-like receptor 9


(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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n/an/a 1.11E+3n/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)


BindingDB Entry DOI: 10.7270/Q2H41VH3
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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n/an/a 8.90n/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)


BindingDB Entry DOI: 10.7270/Q2H41VH3
More data for this
Ligand-Target Pair
Toll-like receptor 8


(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
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n/an/a 17n/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)


BindingDB Entry DOI: 10.7270/Q2H41VH3
More data for this
Ligand-Target Pair
Toll-like receptor 9


(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

UniProtKB/SwissProt

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UniChem
US Patent
n/an/a 5.92E+3n/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)


BindingDB Entry DOI: 10.7270/Q2H41VH3
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

UniProtKB/SwissProt

antibodypedia
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UniChem
US Patent
n/an/a 0.170n/an/an/an/an/an/a


TBA

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


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S46W4Z
More data for this
Ligand-Target Pair
Toll-like receptor 8


(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

UniProtKB/SwissProt

antibodypedia
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UniChem
US Patent
n/an/a 0.660n/an/an/an/an/an/a


TBA

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


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S46W4Z
More data for this
Ligand-Target Pair
Toll-like receptor 9


(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

UniProtKB/SwissProt

antibodypedia
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UniChem
US Patent
n/an/a 1.11E+3n/an/an/an/an/an/a


TBA

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


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S46W4Z
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

UniProtKB/SwissProt

antibodypedia
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UniChem
US Patent
n/an/a 8.90n/an/an/an/an/an/a


TBA

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


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S46W4Z
More data for this
Ligand-Target Pair
Toll-like receptor 8


(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

UniProtKB/SwissProt

antibodypedia
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AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 17n/an/an/an/an/an/a


TBA

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


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S46W4Z
More data for this
Ligand-Target Pair
Toll-like receptor 8


(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

UniProtKB/SwissProt

antibodypedia
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UniChem
US Patent
n/an/a 0.660n/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