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SMILES: COc1cc(cn2ncnc12)-c1[nH]c2cc(C)c(nc2c1C(C)C)C1CCC(CC1)N1CCC1

InChI Key: InChIKey=IMWBVEAQJRAXRE-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 = 427891   
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))
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
PDB

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UniChem
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n/an/a 1.5n/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))
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
PDB

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n/an/a 988n/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))
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
PDB

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UniChem
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n/an/a 3.11E+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))
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
PDB

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UniChem
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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 8


(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
PDB

UniProtKB/SwissProt

antibodypedia
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PC sid
UniChem
US Patent
n/an/a 3.70n/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))
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
PDB

UniProtKB/SwissProt

antibodypedia
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PC sid
UniChem
US Patent
n/an/a 988n/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))
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
PDB

UniProtKB/SwissProt

antibodypedia
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UniChem
US Patent
n/an/a 1.5n/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))
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
PDB

UniProtKB/SwissProt

antibodypedia
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n/an/a 38n/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))
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
PDB

UniProtKB/SwissProt

antibodypedia
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UniChem
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n/an/a 3.11E+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))
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
PDB

UniProtKB/SwissProt

antibodypedia
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UniChem
US Patent
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 US10730877 (2020)


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


(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
PDB

UniProtKB/SwissProt

antibodypedia
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PC sid
UniChem
US Patent
n/an/a 3.70n/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))
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
PDB

UniProtKB/SwissProt

antibodypedia
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UniChem
US Patent
n/an/a 988n/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))
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
PDB

UniProtKB/SwissProt

antibodypedia
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UniChem
US Patent
n/an/a 1.5n/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))
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
PDB

UniProtKB/SwissProt

antibodypedia
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UniChem
US Patent
n/an/a 38n/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))
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
PDB

UniProtKB/SwissProt

antibodypedia
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UniChem
US Patent
n/an/a 3.11E+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))
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
PDB

UniProtKB/SwissProt

antibodypedia
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UniChem
US Patent
n/an/a 0.130n/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))
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
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a 3.70n/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))
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
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 38n/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