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SMILES: CCN(C)C1CCC(CC1)c1nc2c(C(C)C)c([nH]c2cc1C)-c1cc(OC)c2ncnn2c1

InChI Key: InChIKey=UUNSBEYOEIRBHS-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 = 427879   
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))
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
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 9


(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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n/an/a 1.48E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 9


(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))
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 8


(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 9


(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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n/an/a 1.48E+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))
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
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))
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
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 9


(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 US10730877 (2020)

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
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))
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
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 9


(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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US Patent
n/an/a 1.48E+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)

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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n/an/a 0.210n/an/an/an/an/an/a


TBA



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


(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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Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 9


(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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n/an/a 1.20E+3n/an/an/an/an/an/a


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


(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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n/an/a 22n/an/an/an/an/an/a


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


(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
PDB

UniProtKB/SwissProt

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