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Patent code US9708325

Compile Data Set for Download or QSAR
Found 62 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/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Toll-like receptor 7 (TLR7)


(Homo sapiens (Human))
BDBM50274596
PNG
(6-amino-9-benzyl-N-(2-methoxyethyl)-8-oxo-8,9-dihy...)
Show SMILES COCCNC(=O)c1nc(N)c2[nH]c(=O)n(Cc3ccccc3)c2n1
Show InChI InChI=1S/C16H18N6O3/c1-25-8-7-18-15(23)13-20-12(17)11-14(21-13)22(16(24)19-11)9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,18,23)(H,19,24)(H2,17,20,21)
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n/an/an/an/a 270n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HEK-Blue-hTLR7 cells were incubated at a density of 250,000˜450,000 cells/mL in a volume of 180 μL in a 96-well plate in Dulbecco's Mod...


US Patent US9708325 (2017)

More data for this
Ligand-Target Pair
Toll-like receptor 7 (TLR7)


(Homo sapiens (Human))
BDBM262149
PNG
(6-Amino-2-(ethylsulfonimidoyl)-9-(p-tolylmethyl)-7...)
Show SMILES CCS(=N)(=O)c1nc(N)c2[nH]c(=O)n(Cc3ccc(C)cc3)c2n1
Show InChI InChI=1S/C15H18N6O2S/c1-3-24(17,23)14-19-12(16)11-13(20-14)21(15(22)18-11)8-10-6-4-9(2)5-7-10/h4-7,17H,3,8H2,1-2H3,(H,18,22)(H2,16,19,20)
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n/an/an/an/a 98n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HEK-Blue-hTLR7 cells were incubated at a density of 250,000˜450,000 cells/mL in a volume of 180 μL in a 96-well plate in Dulbecco's Mod...


US Patent US9708325 (2017)

More data for this
Ligand-Target Pair
Toll-like receptor 7 (TLR7)


(Homo sapiens (Human))
BDBM262100
PNG
(6-Amino-9-benzyl-2-(propylsulfonimidoyl)-7H-purin-...)
Show SMILES CCCS(=N)(=O)c1nc(N)c2[nH]c(=O)n(Cc3ccccc3)c2n1
Show InChI InChI=1S/C15H18N6O2S/c1-2-8-24(17,23)14-19-12(16)11-13(20-14)21(15(22)18-11)9-10-6-4-3-5-7-10/h3-7,17H,2,8-9H2,1H3,(H,18,22)(H2,16,19,20)
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n/an/an/an/a 86n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HEK-Blue-hTLR7 cells were incubated at a density of 250,000˜450,000 cells/mL in a volume of 180 μL in a 96-well plate in Dulbecco's Mod...


US Patent US9708325 (2017)

More data for this
Ligand-Target Pair
Toll-like receptor 7 (TLR7)


(Homo sapiens (Human))
BDBM262121
PNG
(6-Amino-9-[(3-chlorophenyl)methyl]-2-(propylsulfon...)
Show SMILES CCCS(=N)(=O)c1nc(N)c2[nH]c(=O)n(Cc3cccc(Cl)c3)c2n1
Show InChI InChI=1S/C15H17ClN6O2S/c1-2-6-25(18,24)14-20-12(17)11-13(21-14)22(15(23)19-11)8-9-4-3-5-10(16)7-9/h3-5,7,18H,2,6,8H2,1H3,(H,19,23)(H2,17,20,21)
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n/an/an/an/a 42n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HEK-Blue-hTLR7 cells were incubated at a density of 250,000˜450,000 cells/mL in a volume of 180 μL in a 96-well plate in Dulbecco's Mod...


US Patent US9708325 (2017)

More data for this
Ligand-Target Pair
Toll-like receptor 7 (TLR7)


(Homo sapiens (Human))
BDBM262124
PNG
(6-Amino-9-[(4-bromophenyl)methyl]-2-(propylsulfoni...)
Show SMILES CCCS(=N)(=O)c1nc(N)c2[nH]c(=O)n(Cc3ccc(Br)cc3)c2n1
Show InChI InChI=1S/C15H17BrN6O2S/c1-2-7-25(18,24)14-20-12(17)11-13(21-14)22(15(23)19-11)8-9-3-5-10(16)6-4-9/h3-6,18H,2,7-8H2,1H3,(H,19,23)(H2,17,20,21)
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n/an/an/an/a 9.60n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HEK-Blue-hTLR7 cells were incubated at a density of 250,000˜450,000 cells/mL in a volume of 180 μL in a 96-well plate in Dulbecco's Mod...


US Patent US9708325 (2017)

More data for this
Ligand-Target Pair
Toll-like receptor 7 (TLR7)


(Homo sapiens (Human))
BDBM262126
PNG
(6-Amino-9-(3,4-difluorophenylmethyl)-2-(propylsulf...)
Show SMILES CCCS(=N)(=O)c1nc(N)c2[nH]c(=O)n(Cc3ccc(F)c(F)c3)c2n1
Show InChI InChI=1S/C15H16F2N6O2S/c1-2-5-26(19,25)14-21-12(18)11-13(22-14)23(15(24)20-11)7-8-3-4-9(16)10(17)6-8/h3-4,6,19H,2,5,7H2,1H3,(H,20,24)(H2,18,21,22)
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n/an/an/an/a 36n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HEK-Blue-hTLR7 cells were incubated at a density of 250,000˜450,000 cells/mL in a volume of 180 μL in a 96-well plate in Dulbecco's Mod...


US Patent US9708325 (2017)

More data for this
Ligand-Target Pair
Toll-like receptor 7 (TLR7)


(Homo sapiens (Human))
BDBM262128
PNG
(6-Amino-2-(propylsulfonimidoyl)-9-(p-tolylmethyl)-...)
Show SMILES CCCS(=N)(=O)c1nc(N)c2[nH]c(=O)n(Cc3ccc(C)cc3)c2n1
Show InChI InChI=1S/C16H20N6O2S/c1-3-8-25(18,24)15-20-13(17)12-14(21-15)22(16(23)19-12)9-11-6-4-10(2)5-7-11/h4-7,18H,3,8-9H2,1-2H3,(H,19,23)(H2,17,20,21)
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n/an/an/an/a 27n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HEK-Blue-hTLR7 cells were incubated at a density of 250,000˜450,000 cells/mL in a volume of 180 μL in a 96-well plate in Dulbecco's Mod...


US Patent US9708325 (2017)

More data for this
Ligand-Target Pair
Toll-like receptor 7 (TLR7)


(Homo sapiens (Human))
BDBM262139
PNG
(Methyl 4-[[6-amino-8-oxo-2-(propylsulfonimidoyl)-7...)
Show SMILES CCCS(=N)(=O)c1nc(N)c2[nH]c(=O)n(Cc3ccc(cc3)C(=O)OC)c2n1
Show InChI InChI=1S/C17H20N6O4S/c1-3-8-28(19,26)16-21-13(18)12-14(22-16)23(17(25)20-12)9-10-4-6-11(7-5-10)15(24)27-2/h4-7,19H,3,8-9H2,1-2H3,(H,20,25)(H2,18,21,22)
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n/an/an/an/a 75n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HEK-Blue-hTLR7 cells were incubated at a density of 250,000˜450,000 cells/mL in a volume of 180 μL in a 96-well plate in Dulbecco's Mod...


US Patent US9708325 (2017)

More data for this
Ligand-Target Pair
Toll-like receptor 7 (TLR7)


(Homo sapiens (Human))
BDBM262145
PNG
(6-Amino-9-[(2-methylpyrimidin-5-yl)methyl]-2-(prop...)
Show SMILES CCCS(=N)(=O)c1nc(N)c2[nH]c(=O)n(Cc3cnc(C)nc3)c2n1
Show InChI InChI=1S/C14H18N8O2S/c1-3-4-25(16,24)13-20-11(15)10-12(21-13)22(14(23)19-10)7-9-5-17-8(2)18-6-9/h5-6,16H,3-4,7H2,1-2H3,(H,19,23)(H2,15,20,21)
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n/an/an/an/a 136n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HEK-Blue-hTLR7 cells were incubated at a density of 250,000˜450,000 cells/mL in a volume of 180 μL in a 96-well plate in Dulbecco's Mod...


US Patent US9708325 (2017)

More data for this
Ligand-Target Pair
Toll-like receptor 7 (TLR7)


(Homo sapiens (Human))
BDBM262146
PNG
(6-Amino-9-[(4-chlorophenyl)methyl]-2-(ethylsulfoni...)
Show SMILES CCS(=N)(=O)c1nc(N)c2[nH]c(=O)n(Cc3ccc(Cl)cc3)c2n1
Show InChI InChI=1S/C14H15ClN6O2S/c1-2-24(17,23)13-19-11(16)10-12(20-13)21(14(22)18-10)7-8-3-5-9(15)6-4-8/h3-6,17H,2,7H2,1H3,(H,18,22)(H2,16,19,20)
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n/an/an/an/a 77n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HEK-Blue-hTLR7 cells were incubated at a density of 250,000˜450,000 cells/mL in a volume of 180 μL in a 96-well plate in Dulbecco's Mod...


US Patent US9708325 (2017)

More data for this
Ligand-Target Pair
Toll-like receptor 7 (TLR7)


(Homo sapiens (Human))
BDBM262149
PNG
(6-Amino-2-(ethylsulfonimidoyl)-9-(p-tolylmethyl)-7...)
Show SMILES CCS(=N)(=O)c1nc(N)c2[nH]c(=O)n(Cc3ccc(C)cc3)c2n1
Show InChI InChI=1S/C15H18N6O2S/c1-3-24(17,23)14-19-12(16)11-13(20-14)21(15(22)18-11)8-10-6-4-9(2)5-7-10/h4-7,17H,3,8H2,1-2H3,(H,18,22)(H2,16,19,20)
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n/an/an/an/a 134n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HEK-Blue-hTLR7 cells were incubated at a density of 250,000˜450,000 cells/mL in a volume of 180 μL in a 96-well plate in Dulbecco's Mod...


US Patent US9708325 (2017)

More data for this
Ligand-Target Pair
Toll-like receptor 7 (TLR7)


(Homo sapiens (Human))
BDBM262149
PNG
(6-Amino-2-(ethylsulfonimidoyl)-9-(p-tolylmethyl)-7...)
Show SMILES CCS(=N)(=O)c1nc(N)c2[nH]c(=O)n(Cc3ccc(C)cc3)c2n1
Show InChI InChI=1S/C15H18N6O2S/c1-3-24(17,23)14-19-12(16)11-13(20-14)21(15(22)18-11)8-10-6-4-9(2)5-7-10/h4-7,17H,3,8H2,1-2H3,(H,18,22)(H2,16,19,20)
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n/an/an/an/a 87n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HEK-Blue-hTLR7 cells were incubated at a density of 250,000˜450,000 cells/mL in a volume of 180 μL in a 96-well plate in Dulbecco's Mod...


US Patent US9708325 (2017)

More data for this
Ligand-Target Pair
Toll-like receptor 7 (TLR7)


(Homo sapiens (Human))
BDBM262100
PNG
(6-Amino-9-benzyl-2-(propylsulfonimidoyl)-7H-purin-...)
Show SMILES CCCS(=N)(=O)c1nc(N)c2[nH]c(=O)n(Cc3ccccc3)c2n1
Show InChI InChI=1S/C15H18N6O2S/c1-2-8-24(17,23)14-19-12(16)11-13(20-14)21(15(22)18-11)9-10-6-4-3-5-7-10/h3-7,17H,2,8-9H2,1H3,(H,18,22)(H2,16,19,20)
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n/an/an/an/a 65n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HEK-Blue-hTLR7 cells were incubated at a density of 250,000˜450,000 cells/mL in a volume of 180 μL in a 96-well plate in Dulbecco's Mod...


US Patent US9708325 (2017)

More data for this
Ligand-Target Pair
Toll-like receptor 7 (TLR7)


(Homo sapiens (Human))
BDBM262114
PNG
(6-Amino-2-(methylsulfonimidoyl)-9-(3-pyridylmethyl...)
Show SMILES CS(=N)(=O)c1nc(N)c2[nH]c(=O)n(Cc3cccnc3)c2n1
Show InChI InChI=1S/C12H13N7O2S/c1-22(14,21)11-17-9(13)8-10(18-11)19(12(20)16-8)6-7-3-2-4-15-5-7/h2-5,14H,6H2,1H3,(H,16,20)(H2,13,17,18)
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n/an/an/an/a 760n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HEK-Blue-hTLR7 cells were incubated at a density of 250,000˜450,000 cells/mL in a volume of 180 μL in a 96-well plate in Dulbecco's Mod...


US Patent US9708325 (2017)

More data for this
Ligand-Target Pair
Toll-like receptor 7 (TLR7)


(Homo sapiens (Human))
BDBM262127
PNG
(6-Amino-9-[(4-chloro-3-methyl-phenyl)methyl]-2-(pr...)
Show SMILES CCCS(=N)(=O)c1nc(N)c2[nH]c(=O)n(Cc3ccc(Cl)c(C)c3)c2n1
Show InChI InChI=1S/C16H19ClN6O2S/c1-3-6-26(19,25)15-21-13(18)12-14(22-15)23(16(24)20-12)8-10-4-5-11(17)9(2)7-10/h4-5,7,19H,3,6,8H2,1-2H3,(H,20,24)(H2,18,21,22)
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n/an/an/an/a 21n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HEK-Blue-hTLR7 cells were incubated at a density of 250,000˜450,000 cells/mL in a volume of 180 μL in a 96-well plate in Dulbecco's Mod...


US Patent US9708325 (2017)

More data for this
Ligand-Target Pair
Toll-like receptor 7 (TLR7)


(Homo sapiens (Human))
BDBM262141
PNG
(4-[[6-Amino-8-oxo-2-(propylsulfonimidoyl)-7H-purin...)
Show SMILES CCCS(=N)(=O)c1nc(N)c2[nH]c(=O)n(Cc3ccc(cc3)C(=O)NCCOC)c2n1
Show InChI InChI=1S/C19H25N7O4S/c1-3-10-31(21,29)18-24-15(20)14-16(25-18)26(19(28)23-14)11-12-4-6-13(7-5-12)17(27)22-8-9-30-2/h4-7,21H,3,8-11H2,1-2H3,(H,22,27)(H,23,28)(H2,20,24,25)
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n/an/an/an/a 150n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HEK-Blue-hTLR7 cells were incubated at a density of 250,000˜450,000 cells/mL in a volume of 180 μL in a 96-well plate in Dulbecco's Mod...


US Patent US9708325 (2017)

More data for this
Ligand-Target Pair
Toll-like receptor 7 (TLR7)


(Homo sapiens (Human))
BDBM262091
PNG
(US9708325, S-1)
Show SMILES CS(=O)(=O)c1nc(N)c2[nH]c(=O)n(Cc3ccccc3)c2n1
Show InChI InChI=1S/C13H13N5O3S/c1-22(20,21)12-16-10(14)9-11(17-12)18(13(19)15-9)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,15,19)(H2,14,16,17)
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n/an/an/an/a 370n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HEK-Blue-hTLR7 cells were incubated at a density of 250,000˜450,000 cells/mL in a volume of 180 μL in a 96-well plate in Dulbecco's Mod...


US Patent US9708325 (2017)

More data for this
Ligand-Target Pair
Toll-like receptor 7 (TLR7)


(Homo sapiens (Human))
BDBM262104
PNG
(6-Amino-9-benzyl-2-(3-methoxypropylsulfonimidoyl)-...)
Show SMILES COCCCS(=N)(=O)c1nc(N)c2[nH]c(=O)n(Cc3ccccc3)c2n1
Show InChI InChI=1S/C16H20N6O3S/c1-25-8-5-9-26(18,24)15-20-13(17)12-14(21-15)22(16(23)19-12)10-11-6-3-2-4-7-11/h2-4,6-7,18H,5,8-10H2,1H3,(H,19,23)(H2,17,20,21)
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n/an/an/an/a 430n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HEK-Blue-hTLR7 cells were incubated at a density of 250,000˜450,000 cells/mL in a volume of 180 μL in a 96-well plate in Dulbecco's Mod...


US Patent US9708325 (2017)

More data for this
Ligand-Target Pair
Toll-like receptor 7 (TLR7)


(Homo sapiens (Human))
BDBM262117
PNG
(US9708325, 17 | US9708325, 18 | and Example 18)
Show SMILES CCCS(=N)(=O)c1nc(N)c2[nH]c(=O)n(Cc3cccc(c3)C(N)=O)c2n1
Show InChI InChI=1S/C16H19N7O3S/c1-2-6-27(19,26)15-21-12(17)11-14(22-15)23(16(25)20-11)8-9-4-3-5-10(7-9)13(18)24/h3-5,7,19H,2,6,8H2,1H3,(H2,18,24)(H,20,25)(H2,17,21,22)
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n/an/an/an/a 47n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HEK-Blue-hTLR7 cells were incubated at a density of 250,000˜450,000 cells/mL in a volume of 180 μL in a 96-well plate in Dulbecco's Mod...


US Patent US9708325 (2017)

More data for this
Ligand-Target Pair
Toll-like receptor 7 (TLR7)


(Homo sapiens (Human))
BDBM262119
PNG
(6-Amino-2-(methylsulfonimidoyl)-9-(2-pyridylmethyl...)
Show SMILES CS(=N)(=O)c1nc(N)c2[nH]c(=O)n(Cc3ccccn3)c2n1
Show InChI InChI=1S/C12H13N7O2S/c1-22(14,21)11-17-9(13)8-10(18-11)19(12(20)16-8)6-7-4-2-3-5-15-7/h2-5,14H,6H2,1H3,(H,16,20)(H2,13,17,18)
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n/an/an/an/a 670n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HEK-Blue-hTLR7 cells were incubated at a density of 250,000˜450,000 cells/mL in a volume of 180 μL in a 96-well plate in Dulbecco's Mod...


US Patent US9708325 (2017)

More data for this
Ligand-Target Pair
Toll-like receptor 7 (TLR7)


(Homo sapiens (Human))
BDBM262120
PNG
(6-Amino-2-(methylsulfonimidoyl)-9-(4-pyridylmethyl...)
Show SMILES CS(=N)(=O)c1nc(N)c2[nH]c(=O)n(Cc3ccncc3)c2n1
Show InChI InChI=1S/C12H13N7O2S/c1-22(14,21)11-17-9(13)8-10(18-11)19(12(20)16-8)6-7-2-4-15-5-3-7/h2-5,14H,6H2,1H3,(H,16,20)(H2,13,17,18)
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n/an/an/an/a 260n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HEK-Blue-hTLR7 cells were incubated at a density of 250,000˜450,000 cells/mL in a volume of 180 μL in a 96-well plate in Dulbecco's Mod...


US Patent US9708325 (2017)

More data for this
Ligand-Target Pair
Toll-like receptor 7 (TLR7)


(Homo sapiens (Human))
BDBM262125
PNG
(6-Amino-9-[(3,4-dichlorophenyl)methyl]-2-(propylsu...)
Show SMILES CCCS(=N)(=O)c1nc(N)c2[nH]c(=O)n(Cc3ccc(Cl)c(Cl)c3)c2n1
Show InChI InChI=1S/C15H16Cl2N6O2S/c1-2-5-26(19,25)14-21-12(18)11-13(22-14)23(15(24)20-11)7-8-3-4-9(16)10(17)6-8/h3-4,6,19H,2,5,7H2,1H3,(H,20,24)(H2,18,21,22)
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n/an/an/an/a 21n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HEK-Blue-hTLR7 cells were incubated at a density of 250,000˜450,000 cells/mL in a volume of 180 μL in a 96-well plate in Dulbecco's Mod...


US Patent US9708325 (2017)

More data for this
Ligand-Target Pair
Toll-like receptor 7 (TLR7)


(Homo sapiens (Human))
BDBM262133
PNG
(& Example 33 | US9708325, 32 | US9708325, 33)
Show SMILES CCCS(=N)(=O)c1nc(N)c2[nH]c(=O)n(Cc3ccc(cc3)C(N)=O)c2n1
Show InChI InChI=1S/C16H19N7O3S/c1-2-7-27(19,26)15-21-12(17)11-14(22-15)23(16(25)20-11)8-9-3-5-10(6-4-9)13(18)24/h3-6,19H,2,7-8H2,1H3,(H2,18,24)(H,20,25)(H2,17,21,22)
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n/an/an/an/a 54n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HEK-Blue-hTLR7 cells were incubated at a density of 250,000˜450,000 cells/mL in a volume of 180 μL in a 96-well plate in Dulbecco's Mod...


US Patent US9708325 (2017)

More data for this
Ligand-Target Pair
Toll-like receptor 7 (TLR7)


(Homo sapiens (Human))
BDBM262137
PNG
(6-Amino-9-[(3-chloro-4-methyl-phenyl)methyl]-2-(pr...)
Show SMILES CCCS(=N)(=O)c1nc(N)c2[nH]c(=O)n(Cc3ccc(C)c(Cl)c3)c2n1
Show InChI InChI=1S/C16H19ClN6O2S/c1-3-6-26(19,25)15-21-13(18)12-14(22-15)23(16(24)20-12)8-10-5-4-9(2)11(17)7-10/h4-5,7,19H,3,6,8H2,1-2H3,(H,20,24)(H2,18,21,22)
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n/an/an/an/a 22n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HEK-Blue-hTLR7 cells were incubated at a density of 250,000˜450,000 cells/mL in a volume of 180 μL in a 96-well plate in Dulbecco's Mod...


US Patent US9708325 (2017)

More data for this
Ligand-Target Pair
Toll-like receptor 7 (TLR7)


(Homo sapiens (Human))
BDBM262144
PNG
(6-Amino-2-(propylsulfonimidoyl)-9-(pyrimidin-5-ylm...)
Show SMILES CCCS(=N)(=O)c1nc(N)c2[nH]c(=O)n(Cc3cncnc3)c2n1
Show InChI InChI=1S/C13H16N8O2S/c1-2-3-24(15,23)12-19-10(14)9-11(20-12)21(13(22)18-9)6-8-4-16-7-17-5-8/h4-5,7,15H,2-3,6H2,1H3,(H,18,22)(H2,14,19,20)
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Hoffmann-La Roche Inc.

US Patent


Assay Description
HEK-Blue-hTLR7 cells were incubated at a density of 250,000˜450,000 cells/mL in a volume of 180 μL in a 96-well plate in Dulbecco's Mod...


US Patent US9708325 (2017)

More data for this
Ligand-Target Pair
Toll-like receptor 7 (TLR7)


(Homo sapiens (Human))
BDBM262096
PNG
(6-Amino-9-benzyl-2-(ethylsulfonimidoyl)-7H-purin-8...)
Show SMILES CCS(=N)(=O)c1nc(N)c2[nH]c(=O)n(Cc3ccccc3)c2n1
Show InChI InChI=1S/C14H16N6O2S/c1-2-23(16,22)13-18-11(15)10-12(19-13)20(14(21)17-10)8-9-6-4-3-5-7-9/h3-7,16H,2,8H2,1H3,(H,17,21)(H2,15,18,19)
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Hoffmann-La Roche Inc.

US Patent


Assay Description
HEK-Blue-hTLR7 cells were incubated at a density of 250,000˜450,000 cells/mL in a volume of 180 μL in a 96-well plate in Dulbecco's Mod...


US Patent US9708325 (2017)

More data for this
Ligand-Target Pair
Toll-like receptor 7 (TLR7)


(Homo sapiens (Human))
BDBM262097
PNG
(6-Amino-9-benzyl-2-(2-methoxyethylsulfonimidoyl)-7...)
Show SMILES COCCS(=N)(=O)c1nc(N)c2[nH]c(=O)n(Cc3ccccc3)c2n1
Show InChI InChI=1S/C15H18N6O3S/c1-24-7-8-25(17,23)14-19-12(16)11-13(20-14)21(15(22)18-11)9-10-5-3-2-4-6-10/h2-6,17H,7-9H2,1H3,(H,18,22)(H2,16,19,20)
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n/an/an/an/a 330n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HEK-Blue-hTLR7 cells were incubated at a density of 250,000˜450,000 cells/mL in a volume of 180 μL in a 96-well plate in Dulbecco's Mod...


US Patent US9708325 (2017)

More data for this
Ligand-Target Pair
Toll-like receptor 7 (TLR7)


(Homo sapiens (Human))
BDBM262100
PNG
(6-Amino-9-benzyl-2-(propylsulfonimidoyl)-7H-purin-...)
Show SMILES CCCS(=N)(=O)c1nc(N)c2[nH]c(=O)n(Cc3ccccc3)c2n1
Show InChI InChI=1S/C15H18N6O2S/c1-2-8-24(17,23)14-19-12(16)11-13(20-14)21(15(22)18-11)9-10-6-4-3-5-7-10/h3-7,17H,2,8-9H2,1H3,(H,18,22)(H2,16,19,20)
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n/an/an/an/a 67n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HEK-Blue-hTLR7 cells were incubated at a density of 250,000˜450,000 cells/mL in a volume of 180 μL in a 96-well plate in Dulbecco's Mod...


US Patent US9708325 (2017)

More data for this
Ligand-Target Pair
Toll-like receptor 7 (TLR7)


(Homo sapiens (Human))
BDBM262103
PNG
(6-Amino-9-benzyl-2-(butylsulfonimidoyl)-7H-purin-8...)
Show SMILES CCCCS(=N)(=O)c1nc(N)c2[nH]c(=O)n(Cc3ccccc3)c2n1
Show InChI InChI=1S/C16H20N6O2S/c1-2-3-9-25(18,24)15-20-13(17)12-14(21-15)22(16(23)19-12)10-11-7-5-4-6-8-11/h4-8,18H,2-3,9-10H2,1H3,(H,19,23)(H2,17,20,21)
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n/an/an/an/a 320n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HEK-Blue-hTLR7 cells were incubated at a density of 250,000˜450,000 cells/mL in a volume of 180 μL in a 96-well plate in Dulbecco's Mod...


US Patent US9708325 (2017)

More data for this
Ligand-Target Pair
Toll-like receptor 7 (TLR7)


(Homo sapiens (Human))
BDBM262105
PNG
(6-Amino-9-benzyl-2-(2,2,2-trifluoroethylsulfonimid...)
Show SMILES Nc1nc(nc2n(Cc3ccccc3)c(=O)[nH]c12)S(=N)(=O)CC(F)(F)F
Show InChI InChI=1S/C14H13F3N6O2S/c15-14(16,17)7-26(19,25)12-21-10(18)9-11(22-12)23(13(24)20-9)6-8-4-2-1-3-5-8/h1-5,19H,6-7H2,(H,20,24)(H2,18,21,22)
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n/an/an/an/a 180n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HEK-Blue-hTLR7 cells were incubated at a density of 250,000˜450,000 cells/mL in a volume of 180 μL in a 96-well plate in Dulbecco's Mod...


US Patent US9708325 (2017)

More data for this
Ligand-Target Pair
Toll-like receptor 7 (TLR7)


(Homo sapiens (Human))
BDBM262110
PNG
(6-Amino-2-(3-chloropropylsulfonimidoyl)-9-[(4-meth...)
Show SMILES COc1ccc(Cn2c3nc(nc(N)c3[nH]c2=O)S(=N)(=O)CCCCl)cc1
Show InChI InChI=1S/C16H19ClN6O3S/c1-26-11-5-3-10(4-6-11)9-23-14-12(20-16(23)24)13(18)21-15(22-14)27(19,25)8-2-7-17/h3-6,19H,2,7-9H2,1H3,(H,20,24)(H2,18,21,22)
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n/an/an/an/a 66n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HEK-Blue-hTLR7 cells were incubated at a density of 250,000˜450,000 cells/mL in a volume of 180 μL in a 96-well plate in Dulbecco's Mod...


US Patent US9708325 (2017)

More data for this
Ligand-Target Pair
Toll-like receptor 7 (TLR7)


(Homo sapiens (Human))
BDBM262111
PNG
(6-Amino-9-[(4-chlorophenyl)methyl]-2-(methylsulfon...)
Show SMILES CS(=N)(=O)c1nc(N)c2[nH]c(=O)n(Cc3ccc(Cl)cc3)c2n1
Show InChI InChI=1S/C13H13ClN6O2S/c1-23(16,22)12-18-10(15)9-11(19-12)20(13(21)17-9)6-7-2-4-8(14)5-3-7/h2-5,16H,6H2,1H3,(H,17,21)(H2,15,18,19)
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n/an/an/an/a 43n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HEK-Blue-hTLR7 cells were incubated at a density of 250,000˜450,000 cells/mL in a volume of 180 μL in a 96-well plate in Dulbecco's Mod...


US Patent US9708325 (2017)

More data for this
Ligand-Target Pair
Toll-like receptor 7 (TLR7)


(Homo sapiens (Human))
BDBM262128
PNG
(6-Amino-2-(propylsulfonimidoyl)-9-(p-tolylmethyl)-...)
Show SMILES CCCS(=N)(=O)c1nc(N)c2[nH]c(=O)n(Cc3ccc(C)cc3)c2n1
Show InChI InChI=1S/C16H20N6O2S/c1-3-8-25(18,24)15-20-13(17)12-14(21-15)22(16(23)19-12)9-11-6-4-10(2)5-7-11/h4-7,18H,3,8-9H2,1-2H3,(H,19,23)(H2,17,20,21)
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n/an/an/an/a 22n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HEK-Blue-hTLR7 cells were incubated at a density of 250,000˜450,000 cells/mL in a volume of 180 μL in a 96-well plate in Dulbecco's Mod...


US Patent US9708325 (2017)

More data for this
Ligand-Target Pair
Toll-like receptor 7 (TLR7)


(Homo sapiens (Human))
BDBM262146
PNG
(6-Amino-9-[(4-chlorophenyl)methyl]-2-(ethylsulfoni...)
Show SMILES CCS(=N)(=O)c1nc(N)c2[nH]c(=O)n(Cc3ccc(Cl)cc3)c2n1
Show InChI InChI=1S/C14H15ClN6O2S/c1-2-24(17,23)13-19-11(16)10-12(20-13)21(14(22)18-10)7-8-3-5-9(15)6-4-8/h3-6,17H,2,7H2,1H3,(H,18,22)(H2,16,19,20)
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n/an/an/an/a 54n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HEK-Blue-hTLR7 cells were incubated at a density of 250,000˜450,000 cells/mL in a volume of 180 μL in a 96-well plate in Dulbecco's Mod...


US Patent US9708325 (2017)

More data for this
Ligand-Target Pair
Toll-like receptor 7 (TLR7)


(Homo sapiens (Human))
BDBM262106
PNG
(6-Amino-9-[(4-chlorophenyl)methyl]-2-(propylsulfon...)
Show SMILES CCCS(=N)(=O)c1nc(N)c2[nH]c(=O)n(Cc3ccc(Cl)cc3)c2n1
Show InChI InChI=1S/C15H17ClN6O2S/c1-2-7-25(18,24)14-20-12(17)11-13(21-14)22(15(23)19-11)8-9-3-5-10(16)6-4-9/h3-6,18H,2,7-8H2,1H3,(H,19,23)(H2,17,20,21)
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n/an/an/an/a 12n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HEK-Blue-hTLR7 cells were incubated at a density of 250,000˜450,000 cells/mL in a volume of 180 μL in a 96-well plate in Dulbecco's Mod...


US Patent US9708325 (2017)

More data for this
Ligand-Target Pair
Toll-like receptor 7 (TLR7)


(Homo sapiens (Human))
BDBM262112
PNG
(6-Amino-9-[(6-chloro-3-pyridyl)methyl]-2-(propylsu...)
Show SMILES CCCS(=N)(=O)c1nc(N)c2[nH]c(=O)n(Cc3ccc(Cl)nc3)c2n1
Show InChI InChI=1S/C14H16ClN7O2S/c1-2-5-25(17,24)13-20-11(16)10-12(21-13)22(14(23)19-10)7-8-3-4-9(15)18-6-8/h3-4,6,17H,2,5,7H2,1H3,(H,19,23)(H2,16,20,21)
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n/an/an/an/a 17n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HEK-Blue-hTLR7 cells were incubated at a density of 250,000˜450,000 cells/mL in a volume of 180 μL in a 96-well plate in Dulbecco's Mod...


US Patent US9708325 (2017)

More data for this
Ligand-Target Pair
Toll-like receptor 7 (TLR7)


(Homo sapiens (Human))
BDBM262122
PNG
(6-Amino-2-(propylsulfonimidoyl)-9-[[4-(trifluorome...)
Show SMILES CCCS(=N)(=O)c1nc(N)c2[nH]c(=O)n(Cc3ccc(cc3)C(F)(F)F)c2n1
Show InChI InChI=1S/C16H17F3N6O2S/c1-2-7-28(21,27)14-23-12(20)11-13(24-14)25(15(26)22-11)8-9-3-5-10(6-4-9)16(17,18)19/h3-6,21H,2,7-8H2,1H3,(H,22,26)(H2,20,23,24)
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n/an/an/an/a 16n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HEK-Blue-hTLR7 cells were incubated at a density of 250,000˜450,000 cells/mL in a volume of 180 μL in a 96-well plate in Dulbecco's Mod...


US Patent US9708325 (2017)

More data for this
Ligand-Target Pair
Toll-like receptor 7 (TLR7)


(Homo sapiens (Human))
BDBM262123
PNG
(6-Amino-9-[(4-fluorophenyl)methyl]-2-(propylsulfon...)
Show SMILES CCCS(=N)(=O)c1nc(N)c2[nH]c(=O)n(Cc3ccc(F)cc3)c2n1
Show InChI InChI=1S/C15H17FN6O2S/c1-2-7-25(18,24)14-20-12(17)11-13(21-14)22(15(23)19-11)8-9-3-5-10(16)6-4-9/h3-6,18H,2,7-8H2,1H3,(H,19,23)(H2,17,20,21)
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n/an/an/an/a 37n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HEK-Blue-hTLR7 cells were incubated at a density of 250,000˜450,000 cells/mL in a volume of 180 μL in a 96-well plate in Dulbecco's Mod...


US Patent US9708325 (2017)

More data for this
Ligand-Target Pair
Toll-like receptor 7 (TLR7)


(Homo sapiens (Human))
BDBM262132
PNG
(6-Amino-9-[(2,4-difluorophenyl)methyl]-2-(propylsu...)
Show SMILES CCCS(=N)(=O)c1nc(N)c2[nH]c(=O)n(Cc3ccc(F)cc3F)c2n1
Show InChI InChI=1S/C15H16F2N6O2S/c1-2-5-26(19,25)14-21-12(18)11-13(22-14)23(15(24)20-11)7-8-3-4-9(16)6-10(8)17/h3-4,6,19H,2,5,7H2,1H3,(H,20,24)(H2,18,21,22)
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n/an/an/an/a 40n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HEK-Blue-hTLR7 cells were incubated at a density of 250,000˜450,000 cells/mL in a volume of 180 μL in a 96-well plate in Dulbecco's Mod...


US Patent US9708325 (2017)

More data for this
Ligand-Target Pair
Toll-like receptor 7 (TLR7)


(Homo sapiens (Human))
BDBM262136
PNG
(6-Amino-9-[(2-methyl-4-pyridyl)methyl]-2-(propylsu...)
Show SMILES CCCS(=N)(=O)c1nc(N)c2[nH]c(=O)n(Cc3ccnc(C)c3)c2n1
Show InChI InChI=1S/C15H19N7O2S/c1-3-6-25(17,24)14-20-12(16)11-13(21-14)22(15(23)19-11)8-10-4-5-18-9(2)7-10/h4-5,7,17H,3,6,8H2,1-2H3,(H,19,23)(H2,16,20,21)
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n/an/an/an/a 120n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HEK-Blue-hTLR7 cells were incubated at a density of 250,000˜450,000 cells/mL in a volume of 180 μL in a 96-well plate in Dulbecco's Mod...


US Patent US9708325 (2017)

More data for this
Ligand-Target Pair
Toll-like receptor 7 (TLR7)


(Homo sapiens (Human))
BDBM262140
PNG
(4-[[6-Amino-8-oxo-2-(propylsulfonimidoyl)-7H-purin...)
Show SMILES CCCS(=N)(=O)c1nc(N)c2[nH]c(=O)n(Cc3ccc(cc3)C(O)=O)c2n1
Show InChI InChI=1S/C16H18N6O4S/c1-2-7-27(18,26)15-20-12(17)11-13(21-15)22(16(25)19-11)8-9-3-5-10(6-4-9)14(23)24/h3-6,18H,2,7-8H2,1H3,(H,19,25)(H,23,24)(H2,17,20,21)
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n/an/an/an/a 170n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HEK-Blue-hTLR7 cells were incubated at a density of 250,000˜450,000 cells/mL in a volume of 180 μL in a 96-well plate in Dulbecco's Mod...


US Patent US9708325 (2017)

More data for this
Ligand-Target Pair
Toll-like receptor 7 (TLR7)


(Homo sapiens (Human))
BDBM262143
PNG
(6-Amino-2-(propylsulfonimidoyl)-9-[[4-(pyrrolidine...)
Show SMILES CCCS(=N)(=O)c1nc(N)c2[nH]c(=O)n(Cc3ccc(cc3)C(=O)N3CCCC3)c2n1
Show InChI InChI=1S/C20H25N7O3S/c1-2-11-31(22,30)19-24-16(21)15-17(25-19)27(20(29)23-15)12-13-5-7-14(8-6-13)18(28)26-9-3-4-10-26/h5-8,22H,2-4,9-12H2,1H3,(H,23,29)(H2,21,24,25)
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n/an/an/an/a 90n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HEK-Blue-hTLR7 cells were incubated at a density of 250,000˜450,000 cells/mL in a volume of 180 μL in a 96-well plate in Dulbecco's Mod...


US Patent US9708325 (2017)

More data for this
Ligand-Target Pair
Toll-like receptor 7 (TLR7)


(Homo sapiens (Human))
BDBM50440284
PNG
(CHEMBL2424780 | US9708325, GS-9620)
Show SMILES CCCCOc1nc(N)c2NC(=O)CN(Cc3cccc(CN4CCCC4)c3)c2n1
Show InChI InChI=1S/C22H30N6O2/c1-2-3-11-30-22-25-20(23)19-21(26-22)28(15-18(29)24-19)14-17-8-6-7-16(12-17)13-27-9-4-5-10-27/h6-8,12H,2-5,9-11,13-15H2,1H3,(H,24,29)(H2,23,25,26)
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n/an/an/an/a 800n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HEK-Blue-hTLR7 cells were incubated at a density of 250,000˜450,000 cells/mL in a volume of 180 μL in a 96-well plate in Dulbecco's Mod...


US Patent US9708325 (2017)

More data for this
Ligand-Target Pair
Toll-like receptor 7 (TLR7)


(Homo sapiens (Human))
BDBM262093
PNG
(US9708325, P-5)
Show SMILES CNC(=O)c1nc(N)c2[nH]c(=O)n(Cc3ccccc3)c2n1
Show InChI InChI=1S/C14H14N6O2/c1-16-13(21)11-18-10(15)9-12(19-11)20(14(22)17-9)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,16,21)(H,17,22)(H2,15,18,19)
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n/an/an/an/a 3.14E+3n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HEK-Blue-hTLR7 cells were incubated at a density of 250,000˜450,000 cells/mL in a volume of 180 μL in a 96-well plate in Dulbecco's Mod...


US Patent US9708325 (2017)

More data for this
Ligand-Target Pair
Toll-like receptor 7 (TLR7)


(Homo sapiens (Human))
BDBM262106
PNG
(6-Amino-9-[(4-chlorophenyl)methyl]-2-(propylsulfon...)
Show SMILES CCCS(=N)(=O)c1nc(N)c2[nH]c(=O)n(Cc3ccc(Cl)cc3)c2n1
Show InChI InChI=1S/C15H17ClN6O2S/c1-2-7-25(18,24)14-20-12(17)11-13(21-14)22(15(23)19-11)8-9-3-5-10(16)6-4-9/h3-6,18H,2,7-8H2,1H3,(H,19,23)(H2,17,20,21)
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n/an/an/an/a 14n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HEK-Blue-hTLR7 cells were incubated at a density of 250,000˜450,000 cells/mL in a volume of 180 μL in a 96-well plate in Dulbecco's Mod...


US Patent US9708325 (2017)

More data for this
Ligand-Target Pair
Toll-like receptor 7 (TLR7)


(Homo sapiens (Human))
BDBM262128
PNG
(6-Amino-2-(propylsulfonimidoyl)-9-(p-tolylmethyl)-...)
Show SMILES CCCS(=N)(=O)c1nc(N)c2[nH]c(=O)n(Cc3ccc(C)cc3)c2n1
Show InChI InChI=1S/C16H20N6O2S/c1-3-8-25(18,24)15-20-13(17)12-14(21-15)22(16(23)19-12)9-11-6-4-10(2)5-7-11/h4-7,18H,3,8-9H2,1-2H3,(H,19,23)(H2,17,20,21)
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n/an/an/an/a 19n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HEK-Blue-hTLR7 cells were incubated at a density of 250,000˜450,000 cells/mL in a volume of 180 μL in a 96-well plate in Dulbecco's Mod...


US Patent US9708325 (2017)

More data for this
Ligand-Target Pair
Toll-like receptor 7 (TLR7)


(Homo sapiens (Human))
BDBM262131
PNG
(6-Amino-9-[(4-chloro-3-fluorophenyl)methyl]-2-(pro...)
Show SMILES CCCS(=N)(=O)c1nc(N)c2[nH]c(=O)n(Cc3ccc(Cl)c(F)c3)c2n1
Show InChI InChI=1S/C15H16ClFN6O2S/c1-2-5-26(19,25)14-21-12(18)11-13(22-14)23(15(24)20-11)7-8-3-4-9(16)10(17)6-8/h3-4,6,19H,2,5,7H2,1H3,(H,20,24)(H2,18,21,22)
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n/an/an/an/a 18n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HEK-Blue-hTLR7 cells were incubated at a density of 250,000˜450,000 cells/mL in a volume of 180 μL in a 96-well plate in Dulbecco's Mod...


US Patent US9708325 (2017)

More data for this
Ligand-Target Pair
Toll-like receptor 7 (TLR7)


(Homo sapiens (Human))
BDBM262135
PNG
(6-Amino-9-[(6-methyl-3-pyridyl)methyl]-2-(propylsu...)
Show SMILES CCCS(=N)(=O)c1nc(N)c2[nH]c(=O)n(Cc3ccc(C)nc3)c2n1
Show InChI InChI=1S/C15H19N7O2S/c1-3-6-25(17,24)14-20-12(16)11-13(21-14)22(15(23)19-11)8-10-5-4-9(2)18-7-10/h4-5,7,17H,3,6,8H2,1-2H3,(H,19,23)(H2,16,20,21)
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n/an/an/an/a 30n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HEK-Blue-hTLR7 cells were incubated at a density of 250,000˜450,000 cells/mL in a volume of 180 μL in a 96-well plate in Dulbecco's Mod...


US Patent US9708325 (2017)

More data for this
Ligand-Target Pair
Toll-like receptor 7 (TLR7)


(Homo sapiens (Human))
BDBM262097
PNG
(6-Amino-9-benzyl-2-(2-methoxyethylsulfonimidoyl)-7...)
Show SMILES COCCS(=N)(=O)c1nc(N)c2[nH]c(=O)n(Cc3ccccc3)c2n1
Show InChI InChI=1S/C15H18N6O3S/c1-24-7-8-25(17,23)14-19-12(16)11-13(20-14)21(15(22)18-11)9-10-5-3-2-4-6-10/h2-6,17H,7-9H2,1H3,(H,18,22)(H2,16,19,20)
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n/an/an/an/a 550n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HEK-Blue-hTLR7 cells were incubated at a density of 250,000˜450,000 cells/mL in a volume of 180 μL in a 96-well plate in Dulbecco's Mod...


US Patent US9708325 (2017)

More data for this
Ligand-Target Pair
Toll-like receptor 7 (TLR7)


(Homo sapiens (Human))
BDBM262117
PNG
(US9708325, 17 | US9708325, 18 | and Example 18)
Show SMILES CCCS(=N)(=O)c1nc(N)c2[nH]c(=O)n(Cc3cccc(c3)C(N)=O)c2n1
Show InChI InChI=1S/C16H19N7O3S/c1-2-6-27(19,26)15-21-12(17)11-14(22-15)23(16(25)20-11)8-9-4-3-5-10(7-9)13(18)24/h3-5,7,19H,2,6,8H2,1H3,(H2,18,24)(H,20,25)(H2,17,21,22)
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n/an/an/an/a 68n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HEK-Blue-hTLR7 cells were incubated at a density of 250,000˜450,000 cells/mL in a volume of 180 μL in a 96-well plate in Dulbecco's Mod...


US Patent US9708325 (2017)

More data for this
Ligand-Target Pair
Toll-like receptor 7 (TLR7)


(Homo sapiens (Human))
BDBM262133
PNG
(& Example 33 | US9708325, 32 | US9708325, 33)
Show SMILES CCCS(=N)(=O)c1nc(N)c2[nH]c(=O)n(Cc3ccc(cc3)C(N)=O)c2n1
Show InChI InChI=1S/C16H19N7O3S/c1-2-7-27(19,26)15-21-12(17)11-14(22-15)23(16(25)20-11)8-9-3-5-10(6-4-9)13(18)24/h3-6,19H,2,7-8H2,1H3,(H2,18,24)(H,20,25)(H2,17,21,22)
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n/an/an/an/a 66n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HEK-Blue-hTLR7 cells were incubated at a density of 250,000˜450,000 cells/mL in a volume of 180 μL in a 96-well plate in Dulbecco's Mod...


US Patent US9708325 (2017)

More data for this
Ligand-Target Pair
Toll-like receptor 7 (TLR7)


(Homo sapiens (Human))
BDBM262138
PNG
(6-Amino-9-[(4-methylsulfonylphenyl)methyl]-2-(prop...)
Show SMILES CCCS(=N)(=O)c1nc(N)c2[nH]c(=O)n(Cc3ccc(cc3)S(C)(=O)=O)c2n1
Show InChI InChI=1S/C16H20N6O4S2/c1-3-8-28(18,26)15-20-13(17)12-14(21-15)22(16(23)19-12)9-10-4-6-11(7-5-10)27(2,24)25/h4-7,18H,3,8-9H2,1-2H3,(H,19,23)(H2,17,20,21)
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n/an/an/an/a 23n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HEK-Blue-hTLR7 cells were incubated at a density of 250,000˜450,000 cells/mL in a volume of 180 μL in a 96-well plate in Dulbecco's Mod...


US Patent US9708325 (2017)

More data for this
Ligand-Target Pair
Toll-like receptor 7 (TLR7)


(Homo sapiens (Human))
BDBM262146
PNG
(6-Amino-9-[(4-chlorophenyl)methyl]-2-(ethylsulfoni...)
Show SMILES CCS(=N)(=O)c1nc(N)c2[nH]c(=O)n(Cc3ccc(Cl)cc3)c2n1
Show InChI InChI=1S/C14H15ClN6O2S/c1-2-24(17,23)13-19-11(16)10-12(20-13)21(14(22)18-10)7-8-3-5-9(15)6-4-8/h3-6,17H,2,7H2,1H3,(H,18,22)(H2,16,19,20)
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n/an/an/an/a 57n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HEK-Blue-hTLR7 cells were incubated at a density of 250,000˜450,000 cells/mL in a volume of 180 μL in a 96-well plate in Dulbecco's Mod...


US Patent US9708325 (2017)

More data for this
Ligand-Target Pair
Toll-like receptor 7 (TLR7)


(Homo sapiens (Human))
BDBM262094
PNG
(6-Amino-9-benzyl-2-(methylsulfonimidoyl)-7H-purin-...)
Show SMILES CS(=N)(=O)c1nc(N)c2[nH]c(=O)n(Cc3ccccc3)c2n1
Show InChI InChI=1S/C13H14N6O2S/c1-22(15,21)12-17-10(14)9-11(18-12)19(13(20)16-9)7-8-5-3-2-4-6-8/h2-6,15H,7H2,1H3,(H,16,20)(H2,14,17,18)
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n/an/an/an/a 300n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HEK-Blue-hTLR7 cells were incubated at a density of 250,000˜450,000 cells/mL in a volume of 180 μL in a 96-well plate in Dulbecco's Mod...


US Patent US9708325 (2017)

More data for this
Ligand-Target Pair
Toll-like receptor 7 (TLR7)


(Homo sapiens (Human))
BDBM262094
PNG
(6-Amino-9-benzyl-2-(methylsulfonimidoyl)-7H-purin-...)
Show SMILES CS(=N)(=O)c1nc(N)c2[nH]c(=O)n(Cc3ccccc3)c2n1
Show InChI InChI=1S/C13H14N6O2S/c1-22(15,21)12-17-10(14)9-11(18-12)19(13(20)16-9)7-8-5-3-2-4-6-8/h2-6,15H,7H2,1H3,(H,16,20)(H2,14,17,18)
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n/an/an/an/a 180n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HEK-Blue-hTLR7 cells were incubated at a density of 250,000˜450,000 cells/mL in a volume of 180 μL in a 96-well plate in Dulbecco's Mod...


US Patent US9708325 (2017)

More data for this
Ligand-Target Pair
Toll-like receptor 7 (TLR7)


(Homo sapiens (Human))
BDBM262106
PNG
(6-Amino-9-[(4-chlorophenyl)methyl]-2-(propylsulfon...)
Show SMILES CCCS(=N)(=O)c1nc(N)c2[nH]c(=O)n(Cc3ccc(Cl)cc3)c2n1
Show InChI InChI=1S/C15H17ClN6O2S/c1-2-7-25(18,24)14-20-12(17)11-13(21-14)22(15(23)19-11)8-9-3-5-10(16)6-4-9/h3-6,18H,2,7-8H2,1H3,(H,19,23)(H2,17,20,21)
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n/an/an/an/a 11n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HEK-Blue-hTLR7 cells were incubated at a density of 250,000˜450,000 cells/mL in a volume of 180 μL in a 96-well plate in Dulbecco's Mod...


US Patent US9708325 (2017)

More data for this
Ligand-Target Pair
Toll-like receptor 7 (TLR7)


(Homo sapiens (Human))
BDBM262109
PNG
(6-Amino-9-[(4-methoxyphenyl)methyl]-2-(methylsulfo...)
Show SMILES COc1ccc(Cn2c3nc(nc(N)c3[nH]c2=O)S(C)(=N)=O)cc1
Show InChI InChI=1S/C14H16N6O3S/c1-23-9-5-3-8(4-6-9)7-20-12-10(17-14(20)21)11(15)18-13(19-12)24(2,16)22/h3-6,16H,7H2,1-2H3,(H,17,21)(H2,15,18,19)
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n/an/an/an/a 74n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HEK-Blue-hTLR7 cells were incubated at a density of 250,000˜450,000 cells/mL in a volume of 180 μL in a 96-well plate in Dulbecco's Mod...


US Patent US9708325 (2017)

More data for this
Ligand-Target Pair
Toll-like receptor 7 (TLR7)


(Homo sapiens (Human))
BDBM262113
PNG
(6-Amino-9-[(2-chlorophenyl)methyl]-2-(propylsulfon...)
Show SMILES CCCS(=N)(=O)c1nc(N)c2[nH]c(=O)n(Cc3ccccc3Cl)c2n1
Show InChI InChI=1S/C15H17ClN6O2S/c1-2-7-25(18,24)14-20-12(17)11-13(21-14)22(15(23)19-11)8-9-5-3-4-6-10(9)16/h3-6,18H,2,7-8H2,1H3,(H,19,23)(H2,17,20,21)
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n/an/an/an/a 190n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HEK-Blue-hTLR7 cells were incubated at a density of 250,000˜450,000 cells/mL in a volume of 180 μL in a 96-well plate in Dulbecco's Mod...


US Patent US9708325 (2017)

More data for this
Ligand-Target Pair
Toll-like receptor 7 (TLR7)


(Homo sapiens (Human))
BDBM262114
PNG
(6-Amino-2-(methylsulfonimidoyl)-9-(3-pyridylmethyl...)
Show SMILES CS(=N)(=O)c1nc(N)c2[nH]c(=O)n(Cc3cccnc3)c2n1
Show InChI InChI=1S/C12H13N7O2S/c1-22(14,21)11-17-9(13)8-10(18-11)19(12(20)16-8)6-7-3-2-4-15-5-7/h2-5,14H,6H2,1H3,(H,16,20)(H2,13,17,18)
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n/an/an/an/a 220n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HEK-Blue-hTLR7 cells were incubated at a density of 250,000˜450,000 cells/mL in a volume of 180 μL in a 96-well plate in Dulbecco's Mod...


US Patent US9708325 (2017)

More data for this
Ligand-Target Pair
Toll-like receptor 7 (TLR7)


(Homo sapiens (Human))
BDBM262114
PNG
(6-Amino-2-(methylsulfonimidoyl)-9-(3-pyridylmethyl...)
Show SMILES CS(=N)(=O)c1nc(N)c2[nH]c(=O)n(Cc3cccnc3)c2n1
Show InChI InChI=1S/C12H13N7O2S/c1-22(14,21)11-17-9(13)8-10(18-11)19(12(20)16-8)6-7-3-2-4-15-5-7/h2-5,14H,6H2,1H3,(H,16,20)(H2,13,17,18)
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n/an/an/an/a 150n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HEK-Blue-hTLR7 cells were incubated at a density of 250,000˜450,000 cells/mL in a volume of 180 μL in a 96-well plate in Dulbecco's Mod...


US Patent US9708325 (2017)

More data for this
Ligand-Target Pair
Toll-like receptor 7 (TLR7)


(Homo sapiens (Human))
BDBM262142
PNG
(6-Amino-9-[[4-(piperidine-1-carbonyl)phenyl]methyl...)
Show SMILES CCCS(=N)(=O)c1nc(N)c2[nH]c(=O)n(Cc3ccc(cc3)C(=O)N3CCCCC3)c2n1
Show InChI InChI=1S/C21H27N7O3S/c1-2-12-32(23,31)20-25-17(22)16-18(26-20)28(21(30)24-16)13-14-6-8-15(9-7-14)19(29)27-10-4-3-5-11-27/h6-9,23H,2-5,10-13H2,1H3,(H,24,30)(H2,22,25,26)
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n/an/an/an/a 84n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HEK-Blue-hTLR7 cells were incubated at a density of 250,000˜450,000 cells/mL in a volume of 180 μL in a 96-well plate in Dulbecco's Mod...


US Patent US9708325 (2017)

More data for this
Ligand-Target Pair
Toll-like receptor 7 (TLR7)


(Homo sapiens (Human))
BDBM262097
PNG
(6-Amino-9-benzyl-2-(2-methoxyethylsulfonimidoyl)-7...)
Show SMILES COCCS(=N)(=O)c1nc(N)c2[nH]c(=O)n(Cc3ccccc3)c2n1
Show InChI InChI=1S/C15H18N6O3S/c1-24-7-8-25(17,23)14-19-12(16)11-13(20-14)21(15(22)18-11)9-10-5-3-2-4-6-10/h2-6,17H,7-9H2,1H3,(H,18,22)(H2,16,19,20)
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n/an/an/an/a 270n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HEK-Blue-hTLR7 cells were incubated at a density of 250,000˜450,000 cells/mL in a volume of 180 μL in a 96-well plate in Dulbecco's Mod...


US Patent US9708325 (2017)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%