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Patent code US10407431

Compile Data Set for Download or QSAR
Found 34 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Toll-like receptor 7


(Homo sapiens (Human))
BDBM413428
PNG
((S)-2-morpholino-2-oxoethyl 3-(4-((2-amino-4-((1-h...)
Show SMILES CCCC[C@@H](CO)Nc1nc(N)nc2ccn(Cc3ccc(CCC(=O)OCC(=O)N4CCOCC4)cc3OC)c12
Show InChI InChI=1S/C29H40N6O6/c1-3-4-5-22(18-36)31-28-27-23(32-29(30)33-28)10-11-35(27)17-21-8-6-20(16-24(21)39-2)7-9-26(38)41-19-25(37)34-12-14-40-15-13-34/h6,8,10-11,16,22,36H,3-5,7,9,12-15,17-19H2,1-2H3,(H3,30,31,32,33)/t22-/m0/s1
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Novartis AG

US Patent


Assay Description
Human embryonic kidney 293 (HEK 293) cells were stably transfected with human TLR7 and an NF-kB-driven luciferase reporter vector (pNifty-Luciferase)...


US Patent US10407431 (2019)


BindingDB Entry DOI: 10.7270/Q2125W25
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM413442
PNG
(2-(4-methylpiperazin-1-yl)ethyl 2-(3-{[2-amino-4-(...)
Show SMILES CCCCCNc1nc(N)nc2ccn(Cc3cc(OCC(=O)OCCN4CCN(C)CC4)ccc3OC)c12
Show InChI InChI=1S/C28H41N7O4/c1-4-5-6-10-30-27-26-23(31-28(29)32-27)9-11-35(26)19-21-18-22(7-8-24(21)37-3)39-20-25(36)38-17-16-34-14-12-33(2)13-15-34/h7-9,11,18H,4-6,10,12-17,19-20H2,1-3H3,(H3,29,30,31,32)
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Novartis AG

US Patent


Assay Description
Human embryonic kidney 293 (HEK 293) cells were stably transfected with human TLR7 and an NF-kB-driven luciferase reporter vector (pNifty-Luciferase)...


US Patent US10407431 (2019)


BindingDB Entry DOI: 10.7270/Q2125W25
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM413414
PNG
( methyl 4-((2-amino-4-(pentylamino)-5H-pyrrolo[3,2...)
Show SMILES CCCCCNc1nc(N)nc2ccn(Cc3ccc(cc3OC)C(=O)OC)c12
Show InChI InChI=1S/C21H27N5O3/c1-4-5-6-10-23-19-18-16(24-21(22)25-19)9-11-26(18)13-15-8-7-14(20(27)29-3)12-17(15)28-2/h7-9,11-12H,4-6,10,13H2,1-3H3,(H3,22,23,24,25)
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Novartis AG

US Patent


Assay Description
Human embryonic kidney 293 (HEK 293) cells were stably transfected with human TLR7 and an NF-kB-driven luciferase reporter vector (pNifty-Luciferase)...


US Patent US10407431 (2019)


BindingDB Entry DOI: 10.7270/Q2125W25
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM413422
PNG
(2-morpholino-2-oxoethyl 2-(3-((2-amino-4-(pentylam...)
Show SMILES CCCCCNc1nc(N)nc2ccn(Cc3cc(CC(=O)OCC(=O)N4CCOCC4)ccc3OC)c12
Show InChI InChI=1S/C27H36N6O5/c1-3-4-5-9-29-26-25-21(30-27(28)31-26)8-10-33(25)17-20-15-19(6-7-22(20)36-2)16-24(35)38-18-23(34)32-11-13-37-14-12-32/h6-8,10,15H,3-5,9,11-14,16-18H2,1-2H3,(H3,28,29,30,31)
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Novartis AG

US Patent


Assay Description
Human embryonic kidney 293 (HEK 293) cells were stably transfected with human TLR7 and an NF-kB-driven luciferase reporter vector (pNifty-Luciferase)...


US Patent US10407431 (2019)


BindingDB Entry DOI: 10.7270/Q2125W25
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM413433
PNG
(2-(dimethylamino)-2-oxoethyl 2-(4-((2-amino-4-(pen...)
Show SMILES CCCCCNc1nc(N)nc2ccn(Cc3ccc(CC(=O)OCC(=O)N(C)C)cc3OC)c12
Show InChI InChI=1S/C25H34N6O4/c1-5-6-7-11-27-24-23-19(28-25(26)29-24)10-12-31(23)15-18-9-8-17(13-20(18)34-4)14-22(33)35-16-21(32)30(2)3/h8-10,12-13H,5-7,11,14-16H2,1-4H3,(H3,26,27,28,29)
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Novartis AG

US Patent


Assay Description
Human embryonic kidney 293 (HEK 293) cells were stably transfected with human TLR7 and an NF-kB-driven luciferase reporter vector (pNifty-Luciferase)...


US Patent US10407431 (2019)


BindingDB Entry DOI: 10.7270/Q2125W25
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM413438
PNG
(2-(piperazin-1-yl)ethyl 2-(4-{[2-amino-4-(pentylam...)
Show SMILES CCCCCNc1nc(N)nc2ccn(Cc3ccc(CC(=O)OCCN4CCNCC4)cc3OC)c12
Show InChI InChI=1S/C27H39N7O3/c1-3-4-5-9-30-26-25-22(31-27(28)32-26)8-12-34(25)19-21-7-6-20(17-23(21)36-2)18-24(35)37-16-15-33-13-10-29-11-14-33/h6-8,12,17,29H,3-5,9-11,13-16,18-19H2,1-2H3,(H3,28,30,31,32)
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Novartis AG

US Patent


Assay Description
Human embryonic kidney 293 (HEK 293) cells were stably transfected with human TLR7 and an NF-kB-driven luciferase reporter vector (pNifty-Luciferase)...


US Patent US10407431 (2019)


BindingDB Entry DOI: 10.7270/Q2125W25
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM413437
PNG
(2-(morpholin-4-yl)ethyl 2-(4-{[2-amino-4-(pentylam...)
Show SMILES CCCCCNc1nc(N)nc2ccn(Cc3ccc(CC(=O)OCCN4CCOCC4)cc3OC)c12
Show InChI InChI=1S/C27H38N6O4/c1-3-4-5-9-29-26-25-22(30-27(28)31-26)8-10-33(25)19-21-7-6-20(17-23(21)35-2)18-24(34)37-16-13-32-11-14-36-15-12-32/h6-8,10,17H,3-5,9,11-16,18-19H2,1-2H3,(H3,28,29,30,31)
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Novartis AG

US Patent


Assay Description
Human embryonic kidney 293 (HEK 293) cells were stably transfected with human TLR7 and an NF-kB-driven luciferase reporter vector (pNifty-Luciferase)...


US Patent US10407431 (2019)


BindingDB Entry DOI: 10.7270/Q2125W25
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM413441
PNG
(2-(morpholin-4-yl)ethyl 2-(3-{[2-amino-4-(pentylam...)
Show SMILES CCCCCNc1nc(N)nc2ccn(Cc3cc(OCC(=O)OCCN4CCOCC4)ccc3OC)c12
Show InChI InChI=1S/C27H38N6O5/c1-3-4-5-9-29-26-25-22(30-27(28)31-26)8-10-33(25)18-20-17-21(6-7-23(20)35-2)38-19-24(34)37-16-13-32-11-14-36-15-12-32/h6-8,10,17H,3-5,9,11-16,18-19H2,1-2H3,(H3,28,29,30,31)
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Novartis AG

US Patent


Assay Description
Human embryonic kidney 293 (HEK 293) cells were stably transfected with human TLR7 and an NF-kB-driven luciferase reporter vector (pNifty-Luciferase)...


US Patent US10407431 (2019)


BindingDB Entry DOI: 10.7270/Q2125W25
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM413447
PNG
(5-(5-amino-2-methoxybenzyl)-N4-pentyl-5H-pyrrolo[3...)
Show SMILES CCCCCNc1nc(N)nc2ccn(Cc3cc(N)ccc3OC)c12
Show InChI InChI=1S/C19H26N6O/c1-3-4-5-9-22-18-17-15(23-19(21)24-18)8-10-25(17)12-13-11-14(20)6-7-16(13)26-2/h6-8,10-11H,3-5,9,12,20H2,1-2H3,(H3,21,22,23,24)
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Novartis AG

US Patent


Assay Description
Human embryonic kidney 293 (HEK 293) cells were stably transfected with human TLR7 and an NF-kB-driven luciferase reporter vector (pNifty-Luciferase)...


US Patent US10407431 (2019)


BindingDB Entry DOI: 10.7270/Q2125W25
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM413423
PNG
(2-morpholino-2-oxoethyl 2-(4-((2-amino-4-(pentylam...)
Show SMILES CCCCCNc1nc(N)nc2ccn(Cc3ccc(CC(=O)OCC(=O)N4CCOCC4)cc3OC)c12
Show InChI InChI=1S/C27H36N6O5/c1-3-4-5-9-29-26-25-21(30-27(28)31-26)8-10-33(25)17-20-7-6-19(15-22(20)36-2)16-24(35)38-18-23(34)32-11-13-37-14-12-32/h6-8,10,15H,3-5,9,11-14,16-18H2,1-2H3,(H3,28,29,30,31)
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Novartis AG

US Patent


Assay Description
Human embryonic kidney 293 (HEK 293) cells were stably transfected with human TLR7 and an NF-kB-driven luciferase reporter vector (pNifty-Luciferase)...


US Patent US10407431 (2019)


BindingDB Entry DOI: 10.7270/Q2125W25
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM413427
PNG
((S)-2-morpholino-2-oxoethyl 2-(3-((2-amino-4-((1-h...)
Show SMILES CCCC[C@@H](CO)Nc1nc(N)nc2ccn(Cc3cc(CC(=O)OCC(=O)N4CCOCC4)ccc3OC)c12
Show InChI InChI=1S/C28H38N6O6/c1-3-4-5-21(17-35)30-27-26-22(31-28(29)32-27)8-9-34(26)16-20-14-19(6-7-23(20)38-2)15-25(37)40-18-24(36)33-10-12-39-13-11-33/h6-9,14,21,35H,3-5,10-13,15-18H2,1-2H3,(H3,29,30,31,32)/t21-/m0/s1
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Novartis AG

US Patent


Assay Description
Human embryonic kidney 293 (HEK 293) cells were stably transfected with human TLR7 and an NF-kB-driven luciferase reporter vector (pNifty-Luciferase)...


US Patent US10407431 (2019)


BindingDB Entry DOI: 10.7270/Q2125W25
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM413434
PNG
(2-(4-methylpiperazin-1-yl)ethyl 2-(4-{[2-amino-4-(...)
Show SMILES CCCCCNc1nc(N)nc2ccn(Cc3ccc(CC(=O)OCCN4CCN(C)CC4)cc3OC)c12
Show InChI InChI=1S/C28H41N7O3/c1-4-5-6-10-30-27-26-23(31-28(29)32-27)9-11-35(26)20-22-8-7-21(18-24(22)37-3)19-25(36)38-17-16-34-14-12-33(2)13-15-34/h7-9,11,18H,4-6,10,12-17,19-20H2,1-3H3,(H3,29,30,31,32)
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Novartis AG

US Patent


Assay Description
Human embryonic kidney 293 (HEK 293) cells were stably transfected with human TLR7 and an NF-kB-driven luciferase reporter vector (pNifty-Luciferase)...


US Patent US10407431 (2019)


BindingDB Entry DOI: 10.7270/Q2125W25
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM413440
PNG
(2-(piperazin-1-yl)ethyl 2-(3-{[2-amino-4-(pentylam...)
Show SMILES CCCCCNc1nc(N)nc2ccn(Cc3cc(OCC(=O)OCCN4CCNCC4)ccc3OC)c12
Show InChI InChI=1S/C27H39N7O4/c1-3-4-5-9-30-26-25-22(31-27(28)32-26)8-12-34(25)18-20-17-21(6-7-23(20)36-2)38-19-24(35)37-16-15-33-13-10-29-11-14-33/h6-8,12,17,29H,3-5,9-11,13-16,18-19H2,1-2H3,(H3,28,30,31,32)
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Novartis AG

US Patent


Assay Description
Human embryonic kidney 293 (HEK 293) cells were stably transfected with human TLR7 and an NF-kB-driven luciferase reporter vector (pNifty-Luciferase)...


US Patent US10407431 (2019)


BindingDB Entry DOI: 10.7270/Q2125W25
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM413424
PNG
(2-(morpholin-4-yl)-2-oxoethyl 3-(4-{[2-amino-4-(pe...)
Show SMILES CCCCCNc1nc(N)nc2ccn(Cc3ccc(CCC(=O)OCC(=O)N4CCOCC4)cc3OC)c12
Show InChI InChI=1S/C28H38N6O5/c1-3-4-5-11-30-27-26-22(31-28(29)32-27)10-12-34(26)18-21-8-6-20(17-23(21)37-2)7-9-25(36)39-19-24(35)33-13-15-38-16-14-33/h6,8,10,12,17H,3-5,7,9,11,13-16,18-19H2,1-2H3,(H3,29,30,31,32)
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Novartis AG

US Patent


Assay Description
Human embryonic kidney 293 (HEK 293) cells were stably transfected with human TLR7 and an NF-kB-driven luciferase reporter vector (pNifty-Luciferase)...


US Patent US10407431 (2019)


BindingDB Entry DOI: 10.7270/Q2125W25
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM413445
PNG
(5-(2-methoxy-4-(piperazin-1-ylmethyl)benzyl)-N4-pe...)
Show SMILES CCCCCNc1nc(N)nc2ccn(Cc3ccc(CN4CCNCC4)cc3OC)c12
Show InChI InChI=1S/C24H35N7O/c1-3-4-5-9-27-23-22-20(28-24(25)29-23)8-12-31(22)17-19-7-6-18(15-21(19)32-2)16-30-13-10-26-11-14-30/h6-8,12,15,26H,3-5,9-11,13-14,16-17H2,1-2H3,(H3,25,27,28,29)
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Novartis AG

US Patent


Assay Description
Human embryonic kidney 293 (HEK 293) cells were stably transfected with human TLR7 and an NF-kB-driven luciferase reporter vector (pNifty-Luciferase)...


US Patent US10407431 (2019)


BindingDB Entry DOI: 10.7270/Q2125W25
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM413419
PNG
(US10407431, Example 6 | ethyl 3-(3-((2-amino-4-(pe...)
Show SMILES CCCCCNc1nc(N)nc2ccn(Cc3cc(CCC(=O)OCC)ccc3OC)c12
Show InChI InChI=1S/C24H33N5O3/c1-4-6-7-13-26-23-22-19(27-24(25)28-23)12-14-29(22)16-18-15-17(8-10-20(18)31-3)9-11-21(30)32-5-2/h8,10,12,14-15H,4-7,9,11,13,16H2,1-3H3,(H3,25,26,27,28)
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Novartis AG

US Patent


Assay Description
Human embryonic kidney 293 (HEK 293) cells were stably transfected with human TLR7 and an NF-kB-driven luciferase reporter vector (pNifty-Luciferase)...


US Patent US10407431 (2019)


BindingDB Entry DOI: 10.7270/Q2125W25
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM413425
PNG
((S)-2-morpholino-2-oxoethyl 3-(3-((2-amino-4-((1-h...)
Show SMILES CCCC[C@@H](CO)Nc1nc(N)nc2ccn(Cc3cc(CCC(=O)OCC(=O)N4CCOCC4)ccc3OC)c12
Show InChI InChI=1S/C29H40N6O6/c1-3-4-5-22(18-36)31-28-27-23(32-29(30)33-28)10-11-35(27)17-21-16-20(6-8-24(21)39-2)7-9-26(38)41-19-25(37)34-12-14-40-15-13-34/h6,8,10-11,16,22,36H,3-5,7,9,12-15,17-19H2,1-2H3,(H3,30,31,32,33)/t22-/m0/s1
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Novartis AG

US Patent


Assay Description
Human embryonic kidney 293 (HEK 293) cells were stably transfected with human TLR7 and an NF-kB-driven luciferase reporter vector (pNifty-Luciferase)...


US Patent US10407431 (2019)


BindingDB Entry DOI: 10.7270/Q2125W25
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM413430
PNG
(2-(morpholin-4-yl)-2-oxoethyl 3-(3-{[2-amino-4-(pe...)
Show SMILES CCCCCNc1nc(N)nc2ccn(Cc3cc(CCC(=O)OCC(=O)N4CCOCC4)ccc3OC)c12
Show InChI InChI=1S/C28H38N6O5/c1-3-4-5-11-30-27-26-22(31-28(29)32-27)10-12-34(26)18-21-17-20(6-8-23(21)37-2)7-9-25(36)39-19-24(35)33-13-15-38-16-14-33/h6,8,10,12,17H,3-5,7,9,11,13-16,18-19H2,1-2H3,(H3,29,30,31,32)
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Novartis AG

US Patent


Assay Description
Human embryonic kidney 293 (HEK 293) cells were stably transfected with human TLR7 and an NF-kB-driven luciferase reporter vector (pNifty-Luciferase)...


US Patent US10407431 (2019)


BindingDB Entry DOI: 10.7270/Q2125W25
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM413435
PNG
(2-hydroxyethyl 2-(4-{[2-amino-4-(pentylamino)-5H-p...)
Show SMILES CCCCCNc1nc(N)nc2ccn(Cc3ccc(CC(=O)OCCO)cc3OC)c12
Show InChI InChI=1S/C23H31N5O4/c1-3-4-5-9-25-22-21-18(26-23(24)27-22)8-10-28(21)15-17-7-6-16(13-19(17)31-2)14-20(30)32-12-11-29/h6-8,10,13,29H,3-5,9,11-12,14-15H2,1-2H3,(H3,24,25,26,27)
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Novartis AG

US Patent


Assay Description
Human embryonic kidney 293 (HEK 293) cells were stably transfected with human TLR7 and an NF-kB-driven luciferase reporter vector (pNifty-Luciferase)...


US Patent US10407431 (2019)


BindingDB Entry DOI: 10.7270/Q2125W25
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM413443
PNG
(S)-2-((2-amino-5-(2-methoxy-5-(piperazin-1-ylmethy...)
Show SMILES CCCC[C@@H](CO)Nc1nc(N)nc2ccn(Cc3cc(CN4CCNCC4)ccc3OC)c12
Show InChI InChI=1S/C25H37N7O2/c1-3-4-5-20(17-33)28-24-23-21(29-25(26)30-24)8-11-32(23)16-19-14-18(6-7-22(19)34-2)15-31-12-9-27-10-13-31/h6-8,11,14,20,27,33H,3-5,9-10,12-13,15-17H2,1-2H3,(H3,26,28,29,30)/t20-/m0/s1
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Novartis AG

US Patent


Assay Description
Human embryonic kidney 293 (HEK 293) cells were stably transfected with human TLR7 and an NF-kB-driven luciferase reporter vector (pNifty-Luciferase)...


US Patent US10407431 (2019)


BindingDB Entry DOI: 10.7270/Q2125W25
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM413444
PNG
(5-(2-methoxy-5-(piperazin-1-ylmethyl)benzyl)-N4-pe...)
Show SMILES CCCCCNc1nc(N)nc2ccn(Cc3cc(CN4CCNCC4)ccc3OC)c12
Show InChI InChI=1S/C24H35N7O/c1-3-4-5-9-27-23-22-20(28-24(25)29-23)8-12-31(22)17-19-15-18(6-7-21(19)32-2)16-30-13-10-26-11-14-30/h6-8,12,15,26H,3-5,9-11,13-14,16-17H2,1-2H3,(H3,25,27,28,29)
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Novartis AG

US Patent


Assay Description
Human embryonic kidney 293 (HEK 293) cells were stably transfected with human TLR7 and an NF-kB-driven luciferase reporter vector (pNifty-Luciferase)...


US Patent US10407431 (2019)


BindingDB Entry DOI: 10.7270/Q2125W25
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM413415
PNG
(2-(dimethylamino)ethyl 4-((2-amino-4-(pentylamino)...)
Show SMILES CCCCCNc1nc(N)nc2ccn(Cc3ccc(cc3OC)C(=O)OCCN(C)C)c12
Show InChI InChI=1S/C24H34N6O3/c1-5-6-7-11-26-22-21-19(27-24(25)28-22)10-12-30(21)16-18-9-8-17(15-20(18)32-4)23(31)33-14-13-29(2)3/h8-10,12,15H,5-7,11,13-14,16H2,1-4H3,(H3,25,26,27,28)
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Novartis AG

US Patent


Assay Description
Human embryonic kidney 293 (HEK 293) cells were stably transfected with human TLR7 and an NF-kB-driven luciferase reporter vector (pNifty-Luciferase)...


US Patent US10407431 (2019)


BindingDB Entry DOI: 10.7270/Q2125W25
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM413420
PNG
(US10407431, Example 7 | methyl 2-(3-((2-amino-4-(p...)
Show SMILES CCCCCNc1nc(N)nc2ccn(Cc3cc(ccc3OC)C(F)(F)C(=O)OC)c12
Show InChI InChI=1S/C22H27F2N5O3/c1-4-5-6-10-26-19-18-16(27-21(25)28-19)9-11-29(18)13-14-12-15(7-8-17(14)31-2)22(23,24)20(30)32-3/h7-9,11-12H,4-6,10,13H2,1-3H3,(H3,25,26,27,28)
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Novartis AG

US Patent


Assay Description
Human embryonic kidney 293 (HEK 293) cells were stably transfected with human TLR7 and an NF-kB-driven luciferase reporter vector (pNifty-Luciferase)...


US Patent US10407431 (2019)


BindingDB Entry DOI: 10.7270/Q2125W25
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM413421
PNG
(2-morpholino-2-oxoethyl 2-(3-((2-amino-4-(pentylam...)
Show SMILES CCCCCNc1nc(N)nc2ccn(Cc3cc(OCC(O)=O)ccc3OC)c12
Show InChI InChI=1S/C21H27N5O4/c1-3-4-5-9-23-20-19-16(24-21(22)25-20)8-10-26(19)12-14-11-15(30-13-18(27)28)6-7-17(14)29-2/h6-8,10-11H,3-5,9,12-13H2,1-2H3,(H,27,28)(H3,22,23,24,25)
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Novartis AG

US Patent


Assay Description
Human embryonic kidney 293 (HEK 293) cells were stably transfected with human TLR7 and an NF-kB-driven luciferase reporter vector (pNifty-Luciferase)...


US Patent US10407431 (2019)


BindingDB Entry DOI: 10.7270/Q2125W25
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM413429
PNG
(2-(morpholin-4-yl)-2-oxoethyl (2E)-3-(3-{[2-amino-...)
Show SMILES CCCCCNc1nc(N)nc2ccn(Cc3cc(\C=C\C(=O)OCC(=O)N4CCOCC4)ccc3OC)c12
Show InChI InChI=1S/C28H36N6O5/c1-3-4-5-11-30-27-26-22(31-28(29)32-27)10-12-34(26)18-21-17-20(6-8-23(21)37-2)7-9-25(36)39-19-24(35)33-13-15-38-16-14-33/h6-10,12,17H,3-5,11,13-16,18-19H2,1-2H3,(H3,29,30,31,32)/b9-7+
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Novartis AG

US Patent


Assay Description
Human embryonic kidney 293 (HEK 293) cells were stably transfected with human TLR7 and an NF-kB-driven luciferase reporter vector (pNifty-Luciferase)...


US Patent US10407431 (2019)


BindingDB Entry DOI: 10.7270/Q2125W25
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM413432
PNG
(2-(dipropylcarbamoyl)methyl 2-(4-{[2-amino-4-(pent...)
Show SMILES CCCCCNc1nc(N)nc2ccn(Cc3ccc(CC(=O)OCC(=O)N(CCC)CCC)cc3OC)c12
Show InChI InChI=1S/C29H42N6O4/c1-5-8-9-13-31-28-27-23(32-29(30)33-28)12-16-35(27)19-22-11-10-21(17-24(22)38-4)18-26(37)39-20-25(36)34(14-6-2)15-7-3/h10-12,16-17H,5-9,13-15,18-20H2,1-4H3,(H3,30,31,32,33)
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Novartis AG

US Patent


Assay Description
Human embryonic kidney 293 (HEK 293) cells were stably transfected with human TLR7 and an NF-kB-driven luciferase reporter vector (pNifty-Luciferase)...


US Patent US10407431 (2019)


BindingDB Entry DOI: 10.7270/Q2125W25
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM413416
PNG
(2-(2-(dimethylamino)ethoxy)ethyl 4-((2-amino-4-(pe...)
Show SMILES CCCCCNc1nc(N)nc2ccn(Cc3ccc(cc3OC)C(=O)OCCOCCN(C)C)c12
Show InChI InChI=1S/C26H38N6O4/c1-5-6-7-11-28-24-23-21(29-26(27)30-24)10-12-32(23)18-20-9-8-19(17-22(20)34-4)25(33)36-16-15-35-14-13-31(2)3/h8-10,12,17H,5-7,11,13-16,18H2,1-4H3,(H3,27,28,29,30)
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Novartis AG

US Patent


Assay Description
Human embryonic kidney 293 (HEK 293) cells were stably transfected with human TLR7 and an NF-kB-driven luciferase reporter vector (pNifty-Luciferase)...


US Patent US10407431 (2019)


BindingDB Entry DOI: 10.7270/Q2125W25
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM413417
PNG
(US10407431, Example 4 | methyl 3-((2-amino-4-(pent...)
Show SMILES CCCCCNc1nc(N)nc2ccn(Cc3cc(ccc3OC)C(=O)OC)c12
Show InChI InChI=1S/C21H27N5O3/c1-4-5-6-10-23-19-18-16(24-21(22)25-19)9-11-26(18)13-15-12-14(20(27)29-3)7-8-17(15)28-2/h7-9,11-12H,4-6,10,13H2,1-3H3,(H3,22,23,24,25)
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Novartis AG

US Patent


Assay Description
Human embryonic kidney 293 (HEK 293) cells were stably transfected with human TLR7 and an NF-kB-driven luciferase reporter vector (pNifty-Luciferase)...


US Patent US10407431 (2019)


BindingDB Entry DOI: 10.7270/Q2125W25
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM413418
PNG
(US10407431, Example 5 | methyl 2-(3-((2-amino-4-(p...)
Show SMILES CCCCCNc1nc(N)nc2ccn(Cc3cc(CC(=O)OC)ccc3OC)c12
Show InChI InChI=1S/C22H29N5O3/c1-4-5-6-10-24-21-20-17(25-22(23)26-21)9-11-27(20)14-16-12-15(13-19(28)30-3)7-8-18(16)29-2/h7-9,11-12H,4-6,10,13-14H2,1-3H3,(H3,23,24,25,26)
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Novartis AG

US Patent


Assay Description
Human embryonic kidney 293 (HEK 293) cells were stably transfected with human TLR7 and an NF-kB-driven luciferase reporter vector (pNifty-Luciferase)...


US Patent US10407431 (2019)


BindingDB Entry DOI: 10.7270/Q2125W25
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM413426
PNG
((S)-2-morpholino-2-oxoethyl 2-(4-((2-amino-4-((1-h...)
Show SMILES CCCC[C@@H](CO)Nc1nc(N)nc2ccn(Cc3ccc(CC(=O)OCC(=O)N4CCOCC4)cc3OC)c12
Show InChI InChI=1S/C28H38N6O6/c1-3-4-5-21(17-35)30-27-26-22(31-28(29)32-27)8-9-34(26)16-20-7-6-19(14-23(20)38-2)15-25(37)40-18-24(36)33-10-12-39-13-11-33/h6-9,14,21,35H,3-5,10-13,15-18H2,1-2H3,(H3,29,30,31,32)/t21-/m0/s1
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Novartis AG

US Patent


Assay Description
Human embryonic kidney 293 (HEK 293) cells were stably transfected with human TLR7 and an NF-kB-driven luciferase reporter vector (pNifty-Luciferase)...


US Patent US10407431 (2019)


BindingDB Entry DOI: 10.7270/Q2125W25
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM413431
PNG
(2-(benzyloxy)-2-oxoethyl 2-(4-{[2-amino-4-(pentyla...)
Show SMILES CCCCCNc1nc(N)nc2ccn(Cc3ccc(CC(=O)OCC(=O)OCc4ccccc4)cc3OC)c12
Show InChI InChI=1S/C30H35N5O5/c1-3-4-8-14-32-29-28-24(33-30(31)34-29)13-15-35(28)18-23-12-11-22(16-25(23)38-2)17-26(36)40-20-27(37)39-19-21-9-6-5-7-10-21/h5-7,9-13,15-16H,3-4,8,14,17-20H2,1-2H3,(H3,31,32,33,34)
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Novartis AG

US Patent


Assay Description
Human embryonic kidney 293 (HEK 293) cells were stably transfected with human TLR7 and an NF-kB-driven luciferase reporter vector (pNifty-Luciferase)...


US Patent US10407431 (2019)


BindingDB Entry DOI: 10.7270/Q2125W25
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM413436
PNG
(4-(dimethylamino)butyl 2-(4-{[2-amino-4-(pentylami...)
Show SMILES CCCCCNc1nc(N)nc2ccn(Cc3ccc(CC(=O)OCCCCN(C)C)cc3OC)c12
Show InChI InChI=1S/C27H40N6O3/c1-5-6-7-13-29-26-25-22(30-27(28)31-26)12-15-33(25)19-21-11-10-20(17-23(21)35-4)18-24(34)36-16-9-8-14-32(2)3/h10-12,15,17H,5-9,13-14,16,18-19H2,1-4H3,(H3,28,29,30,31)
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Novartis AG

US Patent


Assay Description
Human embryonic kidney 293 (HEK 293) cells were stably transfected with human TLR7 and an NF-kB-driven luciferase reporter vector (pNifty-Luciferase)...


US Patent US10407431 (2019)


BindingDB Entry DOI: 10.7270/Q2125W25
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM413439
PNG
(2-(dimethylamino)ethyl 2-(3-{[2-amino-4-(pentylami...)
Show SMILES CCCCCNc1nc(N)nc2ccn(Cc3cc(OCC(=O)OCCN(C)C)ccc3OC)c12
Show InChI InChI=1S/C25H36N6O4/c1-5-6-7-11-27-24-23-20(28-25(26)29-24)10-12-31(23)16-18-15-19(8-9-21(18)33-4)35-17-22(32)34-14-13-30(2)3/h8-10,12,15H,5-7,11,13-14,16-17H2,1-4H3,(H3,26,27,28,29)
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Novartis AG

US Patent


Assay Description
Human embryonic kidney 293 (HEK 293) cells were stably transfected with human TLR7 and an NF-kB-driven luciferase reporter vector (pNifty-Luciferase)...


US Patent US10407431 (2019)


BindingDB Entry DOI: 10.7270/Q2125W25
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM413446
PNG
((S)-2-((2-amino-5-(2-methoxy-4-(piperazin-1-ylmeth...)
Show SMILES CCCC[C@@H](CO)Nc1nc(N)nc2ccn(Cc3ccc(CN4CCNCC4)cc3OC)c12
Show InChI InChI=1S/C25H37N7O2/c1-3-4-5-20(17-33)28-24-23-21(29-25(26)30-24)8-11-32(23)16-19-7-6-18(14-22(19)34-2)15-31-12-9-27-10-13-31/h6-8,11,14,20,27,33H,3-5,9-10,12-13,15-17H2,1-2H3,(H3,26,28,29,30)/t20-/m0/s1
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Novartis AG

US Patent


Assay Description
Human embryonic kidney 293 (HEK 293) cells were stably transfected with human TLR7 and an NF-kB-driven luciferase reporter vector (pNifty-Luciferase)...


US Patent US10407431 (2019)


BindingDB Entry DOI: 10.7270/Q2125W25
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%