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Patent code US10035794

Compile Data Set for Download or QSAR
Found 139 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
Beta-secretase 2


(Homo sapiens (Human))
BDBM116254
PNG
(US10035794, Example 31 | US8637508, 31)
Show SMILES C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1nc(NC(=O)c2ncc(Cl)cc2Cl)ccc1F
Show InChI InChI=1S/C18H15Cl2F4N5O2/c1-16(7-31-17(2,15(25)29-16)18(22,23)24)13-10(21)3-4-11(27-13)28-14(30)12-9(20)5-8(19)6-26-12/h3-6H,7H2,1-2H3,(H2,25,29)(H,27,28,30)/t16-,17+/m0/s1
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Novartis AG

US Patent


Assay Description
Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM116236
PNG
(US10035794, Example 11 | US8637508, 11)
Show SMILES Cc1cc(cnc1C(=O)Nc1ccc(F)c(n1)[C@]1(C)CO[C@](C)(C(N)=N1)C(F)(F)F)C#N
Show InChI InChI=1S/C20H18F4N6O2/c1-10-6-11(7-25)8-27-14(10)16(31)29-13-5-4-12(21)15(28-13)18(2)9-32-19(3,17(26)30-18)20(22,23)24/h4-6,8H,9H2,1-3H3,(H2,26,30)(H,28,29,31)/t18-,19+/m0/s1
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Novartis AG

US Patent


Assay Description
Chinese hamster ovary cells are transfected with the human gene for amyloid precursor protein. The cells are plated at a density of 8000 cells/well i...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM116257
PNG
(US10035794, Example 34 | US8637508, 34)
Show SMILES C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1nc(NC(=O)c2ncc(cc2Cl)C(F)(F)F)ccc1F
Show InChI InChI=1S/C19H15ClF7N5O2/c1-16(7-34-17(2,15(28)32-16)19(25,26)27)13-10(21)3-4-11(30-13)31-14(33)12-9(20)5-8(6-29-12)18(22,23)24/h3-6H,7H2,1-2H3,(H2,28,32)(H,30,31,33)/t16-,17+/m0/s1
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Novartis AG

US Patent


Assay Description
Chinese hamster ovary cells are transfected with the human gene for amyloid precursor protein. The cells are plated at a density of 8000 cells/well i...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM116247
PNG
(US10035794, Example 24 | US8637508, 24)
Show SMILES C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1nc(NC(=O)c2ncc(cc2Cl)C#N)ccc1F
Show InChI InChI=1S/C19H15ClF4N6O2/c1-17(8-32-18(2,16(26)30-17)19(22,23)24)14-11(21)3-4-12(28-14)29-15(31)13-10(20)5-9(6-25)7-27-13/h3-5,7H,8H2,1-2H3,(H2,26,30)(H,28,29,31)/t17-,18+/m0/s1
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Novartis AG

US Patent


Assay Description
Chinese hamster ovary cells are transfected with the human gene for amyloid precursor protein. The cells are plated at a density of 8000 cells/well i...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM116236
PNG
(US10035794, Example 11 | US8637508, 11)
Show SMILES Cc1cc(cnc1C(=O)Nc1ccc(F)c(n1)[C@]1(C)CO[C@](C)(C(N)=N1)C(F)(F)F)C#N
Show InChI InChI=1S/C20H18F4N6O2/c1-10-6-11(7-25)8-27-14(10)16(31)29-13-5-4-12(21)15(28-13)18(2)9-32-19(3,17(26)30-18)20(22,23)24/h4-6,8H,9H2,1-3H3,(H2,26,30)(H,28,29,31)/t18-,19+/m0/s1
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Novartis AG

US Patent


Assay Description
Recombinant BACE-1 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM116233
PNG
(US10035794, Example 8 | US8637508, 8)
Show SMILES Cc1cc(cnc1C(=O)Nc1cccc(n1)[C@]1(C)CO[C@](C)(C(N)=N1)C(F)(F)F)C#N
Show InChI InChI=1S/C20H19F3N6O2/c1-11-7-12(8-24)9-26-15(11)16(30)28-14-6-4-5-13(27-14)18(2)10-31-19(3,17(25)29-18)20(21,22)23/h4-7,9H,10H2,1-3H3,(H2,25,29)(H,27,28,30)/t18-,19+/m0/s1
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Novartis AG

US Patent


Assay Description
Recombinant BACE-1 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM116269
PNG
(US10035794, Example 46 | US8637508, 46)
Show SMILES C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1nc(NC(=O)c2nn(cc2Cl)C(F)F)ccc1F
Show InChI InChI=1S/C17H15ClF6N6O2/c1-15(6-32-16(2,13(25)28-15)17(22,23)24)11-8(19)3-4-9(26-11)27-12(31)10-7(18)5-30(29-10)14(20)21/h3-5,14H,6H2,1-2H3,(H2,25,28)(H,26,27,31)/t15-,16+/m0/s1
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Novartis AG

US Patent


Assay Description
Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM116250
PNG
(US10035794, Example 27 | US8637508, 27)
Show SMILES C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1nc(NC(=O)c2ncc(cc2N)C#N)ccc1F
Show InChI InChI=1S/C19H17F4N7O2/c1-17(8-32-18(2,16(26)30-17)19(21,22)23)14-10(20)3-4-12(28-14)29-15(31)13-11(25)5-9(6-24)7-27-13/h3-5,7H,8,25H2,1-2H3,(H2,26,30)(H,28,29,31)/t17-,18+/m0/s1
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Novartis AG

US Patent


Assay Description
Chinese hamster ovary cells are transfected with the human gene for amyloid precursor protein. The cells are plated at a density of 8000 cells/well i...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM116244
PNG
(US10035794, Example 20 | US8637508, 20)
Show SMILES C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cccc(NC(=O)c2ncc(cc2Cl)C#N)n1
Show InChI InChI=1S/C19H16ClF3N6O2/c1-17(9-31-18(2,16(25)29-17)19(21,22)23)12-4-3-5-13(27-12)28-15(30)14-11(20)6-10(7-24)8-26-14/h3-6,8H,9H2,1-2H3,(H2,25,29)(H,27,28,30)/t17-,18+/m0/s1
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Novartis AG

US Patent


Assay Description
Chinese hamster ovary cells are transfected with the human gene for amyloid precursor protein. The cells are plated at a density of 8000 cells/well i...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM116245
PNG
(US10035794, Example 22 | US8637508, 22)
Show SMILES C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cccc(NC(=O)c2ncc(Br)cc2Cl)n1
Show InChI InChI=1S/C18H16BrClF3N5O2/c1-16(8-30-17(2,15(24)28-16)18(21,22)23)11-4-3-5-12(26-11)27-14(29)13-10(20)6-9(19)7-25-13/h3-7H,8H2,1-2H3,(H2,24,28)(H,26,27,29)/t16-,17+/m0/s1
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Novartis AG

US Patent


Assay Description
Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM116261
PNG
(US10035794, Example 38 | US8637508, 38)
Show SMILES Cc1cc(cnc1C(=O)Nc1ccc(F)c(n1)[C@@]1(COCC(N)=N1)C(F)F)C#N
Show InChI InChI=1S/C18H15F3N6O2/c1-9-4-10(5-22)6-24-14(9)16(28)26-13-3-2-11(19)15(25-13)18(17(20)21)8-29-7-12(23)27-18/h2-4,6,17H,7-8H2,1H3,(H2,23,27)(H,25,26,28)/t18-/m0/s1
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Novartis AG

US Patent


Assay Description
Chinese hamster ovary cells are transfected with the human gene for amyloid precursor protein. The cells are plated at a density of 8000 cells/well i...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM116247
PNG
(US10035794, Example 24 | US8637508, 24)
Show SMILES C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1nc(NC(=O)c2ncc(cc2Cl)C#N)ccc1F
Show InChI InChI=1S/C19H15ClF4N6O2/c1-17(8-32-18(2,16(26)30-17)19(22,23)24)14-11(21)3-4-12(28-14)29-15(31)13-10(20)5-9(6-25)7-27-13/h3-5,7H,8H2,1-2H3,(H2,26,30)(H,28,29,31)/t17-,18+/m0/s1
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Novartis AG

US Patent


Assay Description
Recombinant BACE-1 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM116233
PNG
(US10035794, Example 8 | US8637508, 8)
Show SMILES Cc1cc(cnc1C(=O)Nc1cccc(n1)[C@]1(C)CO[C@](C)(C(N)=N1)C(F)(F)F)C#N
Show InChI InChI=1S/C20H19F3N6O2/c1-11-7-12(8-24)9-26-15(11)16(30)28-14-6-4-5-13(27-14)18(2)10-31-19(3,17(25)29-18)20(21,22)23/h4-7,9H,10H2,1-3H3,(H2,25,29)(H,27,28,30)/t18-,19+/m0/s1
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Novartis AG

US Patent


Assay Description
Chinese hamster ovary cells are transfected with the human gene for amyloid precursor protein. The cells are plated at a density of 8000 cells/well i...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM116254
PNG
(US10035794, Example 31 | US8637508, 31)
Show SMILES C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1nc(NC(=O)c2ncc(Cl)cc2Cl)ccc1F
Show InChI InChI=1S/C18H15Cl2F4N5O2/c1-16(7-31-17(2,15(25)29-16)18(22,23)24)13-10(21)3-4-11(27-13)28-14(30)12-9(20)5-8(19)6-26-12/h3-6H,7H2,1-2H3,(H2,25,29)(H,27,28,30)/t16-,17+/m0/s1
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Novartis AG

US Patent


Assay Description
Recombinant BACE-1 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM116255
PNG
(US10035794, Example 32 | US8637508, 32)
Show SMILES Cc1cc(OCF)cnc1C(=O)Nc1ccc(F)c(n1)[C@]1(C)CO[C@](C)(C(N)=N1)C(F)(F)F
Show InChI InChI=1S/C20H20F5N5O3/c1-10-6-11(32-9-21)7-27-14(10)16(31)29-13-5-4-12(22)15(28-13)18(2)8-33-19(3,17(26)30-18)20(23,24)25/h4-7H,8-9H2,1-3H3,(H2,26,30)(H,28,29,31)/t18-,19+/m0/s1
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Novartis AG

US Patent


Assay Description
Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM116257
PNG
(US10035794, Example 34 | US8637508, 34)
Show SMILES C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1nc(NC(=O)c2ncc(cc2Cl)C(F)(F)F)ccc1F
Show InChI InChI=1S/C19H15ClF7N5O2/c1-16(7-34-17(2,15(28)32-16)19(25,26)27)13-10(21)3-4-11(30-13)31-14(33)12-9(20)5-8(6-29-12)18(22,23)24/h3-6H,7H2,1-2H3,(H2,28,32)(H,30,31,33)/t16-,17+/m0/s1
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Novartis AG

US Patent


Assay Description
Recombinant BACE-1 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM279677
PNG
(US10035794, Example 21)
Show SMILES Cc1cc(Cl)cnc1C(=O)Nc1cccc(n1)[C@]1(C)CO[C@](C)(C(N)=N1)C(F)(F)F
Show InChI InChI=1S/C19H19ClF3N5O2/c1-10-7-11(20)8-25-14(10)15(29)27-13-6-4-5-12(26-13)17(2)9-30-18(3,16(24)28-17)19(21,22)23/h4-8H,9H2,1-3H3,(H2,24,28)(H,26,27,29)/t17-,18+/m0/s1
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Novartis AG

US Patent


Assay Description
Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM116247
PNG
(US10035794, Example 24 | US8637508, 24)
Show SMILES C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1nc(NC(=O)c2ncc(cc2Cl)C#N)ccc1F
Show InChI InChI=1S/C19H15ClF4N6O2/c1-17(8-32-18(2,16(26)30-17)19(22,23)24)14-11(21)3-4-12(28-14)29-15(31)13-10(20)5-9(6-25)7-27-13/h3-5,7H,8H2,1-2H3,(H2,26,30)(H,28,29,31)/t17-,18+/m0/s1
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Novartis AG

US Patent


Assay Description
Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM116269
PNG
(US10035794, Example 46 | US8637508, 46)
Show SMILES C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1nc(NC(=O)c2nn(cc2Cl)C(F)F)ccc1F
Show InChI InChI=1S/C17H15ClF6N6O2/c1-15(6-32-16(2,13(25)28-15)17(22,23)24)11-8(19)3-4-9(26-11)27-12(31)10-7(18)5-30(29-10)14(20)21/h3-5,14H,6H2,1-2H3,(H2,25,28)(H,26,27,31)/t15-,16+/m0/s1
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Novartis AG

US Patent


Assay Description
Recombinant BACE-1 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM116244
PNG
(US10035794, Example 20 | US8637508, 20)
Show SMILES C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cccc(NC(=O)c2ncc(cc2Cl)C#N)n1
Show InChI InChI=1S/C19H16ClF3N6O2/c1-17(9-31-18(2,16(25)29-17)19(21,22)23)12-4-3-5-13(27-12)28-15(30)14-11(20)6-10(7-24)8-26-14/h3-6,8H,9H2,1-2H3,(H2,25,29)(H,27,28,30)/t17-,18+/m0/s1
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Novartis AG

US Patent


Assay Description
Recombinant BACE-1 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM116254
PNG
(US10035794, Example 31 | US8637508, 31)
Show SMILES C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1nc(NC(=O)c2ncc(Cl)cc2Cl)ccc1F
Show InChI InChI=1S/C18H15Cl2F4N5O2/c1-16(7-31-17(2,15(25)29-16)18(22,23)24)13-10(21)3-4-11(27-13)28-14(30)12-9(20)5-8(19)6-26-12/h3-6H,7H2,1-2H3,(H2,25,29)(H,27,28,30)/t16-,17+/m0/s1
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Novartis AG

US Patent


Assay Description
Chinese hamster ovary cells are transfected with the human gene for amyloid precursor protein. The cells are plated at a density of 8000 cells/well i...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM116250
PNG
(US10035794, Example 27 | US8637508, 27)
Show SMILES C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1nc(NC(=O)c2ncc(cc2N)C#N)ccc1F
Show InChI InChI=1S/C19H17F4N7O2/c1-17(8-32-18(2,16(26)30-17)19(21,22)23)14-10(20)3-4-12(28-14)29-15(31)13-11(25)5-9(6-24)7-27-13/h3-5,7H,8,25H2,1-2H3,(H2,26,30)(H,28,29,31)/t17-,18+/m0/s1
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Novartis AG

US Patent


Assay Description
Recombinant BACE-1 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM116250
PNG
(US10035794, Example 27 | US8637508, 27)
Show SMILES C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1nc(NC(=O)c2ncc(cc2N)C#N)ccc1F
Show InChI InChI=1S/C19H17F4N7O2/c1-17(8-32-18(2,16(26)30-17)19(21,22)23)14-10(20)3-4-12(28-14)29-15(31)13-11(25)5-9(6-24)7-27-13/h3-5,7H,8,25H2,1-2H3,(H2,26,30)(H,28,29,31)/t17-,18+/m0/s1
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n/an/a 12n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM116236
PNG
(US10035794, Example 11 | US8637508, 11)
Show SMILES Cc1cc(cnc1C(=O)Nc1ccc(F)c(n1)[C@]1(C)CO[C@](C)(C(N)=N1)C(F)(F)F)C#N
Show InChI InChI=1S/C20H18F4N6O2/c1-10-6-11(7-25)8-27-14(10)16(31)29-13-5-4-12(21)15(28-13)18(2)9-32-19(3,17(26)30-18)20(22,23)24/h4-6,8H,9H2,1-3H3,(H2,26,30)(H,28,29,31)/t18-,19+/m0/s1
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n/an/a 12n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM116263
PNG
(US10035794, Example 40 | US8637508, 40)
Show SMILES NC1=N[C@](COC1)(C(F)F)c1nc(NC(=O)c2ncc(cc2Cl)C#N)ccc1F
Show InChI InChI=1S/C17H12ClF3N6O2/c18-9-3-8(4-22)5-24-13(9)15(28)26-12-2-1-10(19)14(25-12)17(16(20)21)7-29-6-11(23)27-17/h1-3,5,16H,6-7H2,(H2,23,27)(H,25,26,28)/t17-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Chinese hamster ovary cells are transfected with the human gene for amyloid precursor protein. The cells are plated at a density of 8000 cells/well i...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM116245
PNG
(US10035794, Example 22 | US8637508, 22)
Show SMILES C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cccc(NC(=O)c2ncc(Br)cc2Cl)n1
Show InChI InChI=1S/C18H16BrClF3N5O2/c1-16(8-30-17(2,15(24)28-16)18(21,22)23)11-4-3-5-12(26-11)27-14(29)13-10(20)6-9(19)7-25-13/h3-7H,8H2,1-2H3,(H2,24,28)(H,26,27,29)/t16-,17+/m0/s1
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Novartis AG

US Patent


Assay Description
Recombinant BACE-1 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM116248
PNG
(US10035794, Example 25 | US8637508, 25)
Show SMILES COc1cnc(C(=O)Nc2ccc(F)c(n2)[C@]2(C)CO[C@](C)(C(N)=N2)C(F)(F)F)c(C)c1
Show InChI InChI=1S/C20H21F4N5O3/c1-10-7-11(31-4)8-26-14(10)16(30)28-13-6-5-12(21)15(27-13)18(2)9-32-19(3,17(25)29-18)20(22,23)24/h5-8H,9H2,1-4H3,(H2,25,29)(H,27,28,30)/t18-,19+/m0/s1
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Novartis AG

US Patent


Assay Description
Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM279674
PNG
(5-Bromo-pyridine-2-carboxylic acid [5-(5-amino-3-f...)
Show SMILES Cl.NC1=NC(CF)(COC1)c1cc(NC(=O)c2ccc(Br)cn2)cnc1Cl
Show InChI InChI=1S/C16H14BrClFN5O2.ClH/c17-9-1-2-12(21-4-9)15(25)23-10-3-11(14(18)22-5-10)16(7-19)8-26-6-13(20)24-16;/h1-5H,6-8H2,(H2,20,24)(H,23,25);1H
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n/an/a 15n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Chinese hamster ovary cells are transfected with the human gene for amyloid precursor protein. The cells are plated at a density of 8000 cells/well i...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM116235
PNG
(US10035794, Example 10 | US8637508, 10)
Show SMILES C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cccc(NC(=O)c2ccc(cn2)C#N)n1
Show InChI InChI=1S/C19H17F3N6O2/c1-17(10-30-18(2,16(24)28-17)19(20,21)22)13-4-3-5-14(26-13)27-15(29)12-7-6-11(8-23)9-25-12/h3-7,9H,10H2,1-2H3,(H2,24,28)(H,26,27,29)/t17-,18+/m0/s1
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n/an/a 17n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Chinese hamster ovary cells are transfected with the human gene for amyloid precursor protein. The cells are plated at a density of 8000 cells/well i...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM116233
PNG
(US10035794, Example 8 | US8637508, 8)
Show SMILES Cc1cc(cnc1C(=O)Nc1cccc(n1)[C@]1(C)CO[C@](C)(C(N)=N1)C(F)(F)F)C#N
Show InChI InChI=1S/C20H19F3N6O2/c1-11-7-12(8-24)9-26-15(11)16(30)28-14-6-4-5-13(27-14)18(2)10-31-19(3,17(25)29-18)20(21,22)23/h4-7,9H,10H2,1-3H3,(H2,25,29)(H,27,28,30)/t18-,19+/m0/s1
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Novartis AG

US Patent


Assay Description
Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM116253
PNG
(US10035794, Example 30 | US8637508, 30)
Show SMILES C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1nc(NC(=O)c2ncc(OC(F)F)cc2Cl)ccc1F
Show InChI InChI=1S/C19H16ClF6N5O3/c1-17(7-33-18(2,15(27)31-17)19(24,25)26)13-10(21)3-4-11(29-13)30-14(32)12-9(20)5-8(6-28-12)34-16(22)23/h3-6,16H,7H2,1-2H3,(H2,27,31)(H,29,30,32)/t17-,18+/m0/s1
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Novartis AG

US Patent


Assay Description
Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM116252
PNG
(US10035794, Example 29 | US8637508, 29)
Show SMILES Cc1cc(OC(F)F)cnc1C(=O)Nc1ccc(F)c(n1)[C@]1(C)CO[C@](C)(C(N)=N1)C(F)(F)F
Show InChI InChI=1S/C20H19F6N5O3/c1-9-6-10(34-17(22)23)7-28-13(9)15(32)30-12-5-4-11(21)14(29-12)18(2)8-33-19(3,16(27)31-18)20(24,25)26/h4-7,17H,8H2,1-3H3,(H2,27,31)(H,29,30,32)/t18-,19+/m0/s1
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Novartis AG

US Patent


Assay Description
Chinese hamster ovary cells are transfected with the human gene for amyloid precursor protein. The cells are plated at a density of 8000 cells/well i...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM116252
PNG
(US10035794, Example 29 | US8637508, 29)
Show SMILES Cc1cc(OC(F)F)cnc1C(=O)Nc1ccc(F)c(n1)[C@]1(C)CO[C@](C)(C(N)=N1)C(F)(F)F
Show InChI InChI=1S/C20H19F6N5O3/c1-9-6-10(34-17(22)23)7-28-13(9)15(32)30-12-5-4-11(21)14(29-12)18(2)8-33-19(3,16(27)31-18)20(24,25)26/h4-7,17H,8H2,1-3H3,(H2,27,31)(H,29,30,32)/t18-,19+/m0/s1
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Novartis AG

US Patent


Assay Description
Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM116253
PNG
(US10035794, Example 30 | US8637508, 30)
Show SMILES C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1nc(NC(=O)c2ncc(OC(F)F)cc2Cl)ccc1F
Show InChI InChI=1S/C19H16ClF6N5O3/c1-17(7-33-18(2,15(27)31-17)19(24,25)26)13-10(21)3-4-11(29-13)30-14(32)12-9(20)5-8(6-28-12)34-16(22)23/h3-6,16H,7H2,1-2H3,(H2,27,31)(H,29,30,32)/t17-,18+/m0/s1
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Novartis AG

US Patent


Assay Description
Chinese hamster ovary cells are transfected with the human gene for amyloid precursor protein. The cells are plated at a density of 8000 cells/well i...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM116253
PNG
(US10035794, Example 30 | US8637508, 30)
Show SMILES C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1nc(NC(=O)c2ncc(OC(F)F)cc2Cl)ccc1F
Show InChI InChI=1S/C19H16ClF6N5O3/c1-17(7-33-18(2,15(27)31-17)19(24,25)26)13-10(21)3-4-11(29-13)30-14(32)12-9(20)5-8(6-28-12)34-16(22)23/h3-6,16H,7H2,1-2H3,(H2,27,31)(H,29,30,32)/t17-,18+/m0/s1
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Novartis AG

US Patent


Assay Description
Recombinant BACE-1 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM116252
PNG
(US10035794, Example 29 | US8637508, 29)
Show SMILES Cc1cc(OC(F)F)cnc1C(=O)Nc1ccc(F)c(n1)[C@]1(C)CO[C@](C)(C(N)=N1)C(F)(F)F
Show InChI InChI=1S/C20H19F6N5O3/c1-9-6-10(34-17(22)23)7-28-13(9)15(32)30-12-5-4-11(21)14(29-12)18(2)8-33-19(3,16(27)31-18)20(24,25)26/h4-7,17H,8H2,1-3H3,(H2,27,31)(H,29,30,32)/t18-,19+/m0/s1
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Novartis AG

US Patent


Assay Description
Recombinant BACE-1 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM116255
PNG
(US10035794, Example 32 | US8637508, 32)
Show SMILES Cc1cc(OCF)cnc1C(=O)Nc1ccc(F)c(n1)[C@]1(C)CO[C@](C)(C(N)=N1)C(F)(F)F
Show InChI InChI=1S/C20H20F5N5O3/c1-10-6-11(32-9-21)7-27-14(10)16(31)29-13-5-4-12(22)15(28-13)18(2)8-33-19(3,17(26)30-18)20(23,24)25/h4-7H,8-9H2,1-3H3,(H2,26,30)(H,28,29,31)/t18-,19+/m0/s1
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Novartis AG

US Patent


Assay Description
Chinese hamster ovary cells are transfected with the human gene for amyloid precursor protein. The cells are plated at a density of 8000 cells/well i...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM116245
PNG
(US10035794, Example 22 | US8637508, 22)
Show SMILES C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cccc(NC(=O)c2ncc(Br)cc2Cl)n1
Show InChI InChI=1S/C18H16BrClF3N5O2/c1-16(8-30-17(2,15(24)28-16)18(21,22)23)11-4-3-5-12(26-11)27-14(29)13-10(20)6-9(19)7-25-13/h3-7H,8H2,1-2H3,(H2,24,28)(H,26,27,29)/t16-,17+/m0/s1
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n/an/a 29n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Chinese hamster ovary cells are transfected with the human gene for amyloid precursor protein. The cells are plated at a density of 8000 cells/well i...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM116267
PNG
(US10035794, Example 44 | US8637508, 44)
Show SMILES C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1nc(NC(=O)c2ncc(nc2N)C(F)(F)F)ccc1F
Show InChI InChI=1S/C18H16F7N7O2/c1-15(6-34-16(2,14(27)32-15)18(23,24)25)11-7(19)3-4-9(30-11)31-13(33)10-12(26)29-8(5-28-10)17(20,21)22/h3-5H,6H2,1-2H3,(H2,26,29)(H2,27,32)(H,30,31,33)/t15-,16+/m0/s1
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n/an/a 30n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Chinese hamster ovary cells are transfected with the human gene for amyloid precursor protein. The cells are plated at a density of 8000 cells/well i...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM116257
PNG
(US10035794, Example 34 | US8637508, 34)
Show SMILES C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1nc(NC(=O)c2ncc(cc2Cl)C(F)(F)F)ccc1F
Show InChI InChI=1S/C19H15ClF7N5O2/c1-16(7-34-17(2,15(28)32-16)19(25,26)27)13-10(21)3-4-11(30-13)31-14(33)12-9(20)5-8(6-29-12)18(22,23)24/h3-6H,7H2,1-2H3,(H2,28,32)(H,30,31,33)/t16-,17+/m0/s1
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Novartis AG

US Patent


Assay Description
Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM279677
PNG
(US10035794, Example 21)
Show SMILES Cc1cc(Cl)cnc1C(=O)Nc1cccc(n1)[C@]1(C)CO[C@](C)(C(N)=N1)C(F)(F)F
Show InChI InChI=1S/C19H19ClF3N5O2/c1-10-7-11(20)8-25-14(10)15(29)27-13-6-4-5-12(26-13)17(2)9-30-18(3,16(24)28-17)19(21,22)23/h4-8H,9H2,1-3H3,(H2,24,28)(H,26,27,29)/t17-,18+/m0/s1
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Novartis AG

US Patent


Assay Description
Recombinant BACE-1 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM116261
PNG
(US10035794, Example 38 | US8637508, 38)
Show SMILES Cc1cc(cnc1C(=O)Nc1ccc(F)c(n1)[C@@]1(COCC(N)=N1)C(F)F)C#N
Show InChI InChI=1S/C18H15F3N6O2/c1-9-4-10(5-22)6-24-14(9)16(28)26-13-3-2-11(19)15(25-13)18(17(20)21)8-29-7-12(23)27-18/h2-4,6,17H,7-8H2,1H3,(H2,23,27)(H,25,26,28)/t18-/m0/s1
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Novartis AG

US Patent


Assay Description
Recombinant BACE-1 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM116235
PNG
(US10035794, Example 10 | US8637508, 10)
Show SMILES C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cccc(NC(=O)c2ccc(cn2)C#N)n1
Show InChI InChI=1S/C19H17F3N6O2/c1-17(10-30-18(2,16(24)28-17)19(20,21)22)13-4-3-5-14(26-13)27-15(29)12-7-6-11(8-23)9-25-12/h3-7,9H,10H2,1-2H3,(H2,24,28)(H,26,27,29)/t17-,18+/m0/s1
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n/an/a 39n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Recombinant BACE-1 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM116267
PNG
(US10035794, Example 44 | US8637508, 44)
Show SMILES C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1nc(NC(=O)c2ncc(nc2N)C(F)(F)F)ccc1F
Show InChI InChI=1S/C18H16F7N7O2/c1-15(6-34-16(2,14(27)32-15)18(23,24)25)11-7(19)3-4-9(30-11)31-13(33)10-12(26)29-8(5-28-10)17(20,21)22/h3-5H,6H2,1-2H3,(H2,26,29)(H2,27,32)(H,30,31,33)/t15-,16+/m0/s1
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n/an/a 40n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Recombinant BACE-1 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM279661
PNG
(US10035794, Example 5)
Show SMILES Cc1cc(cnc1C(=O)Nc1cccc(n1)C1(CF)COCC([NH3+])=N1)C#N
Show InChI InChI=1S/C18H17FN6O2/c1-11-5-12(6-20)7-22-16(11)17(26)24-15-4-2-3-13(23-15)18(9-19)10-27-8-14(21)25-18/h2-5,7H,8-10H2,1H3,(H2,21,25)(H,23,24,26)/p+1
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n/an/a 40n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Chinese hamster ovary cells are transfected with the human gene for amyloid precursor protein. The cells are plated at a density of 8000 cells/well i...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM116227
PNG
(US10035794, Example 1 | US8637508, 1)
Show SMILES C[C@]1(COCC(N)=N1)c1cccc(NC(=O)c2ccc(Br)cn2)n1
Show InChI InChI=1S/C16H16BrN5O2/c1-16(9-24-8-13(18)22-16)12-3-2-4-14(20-12)21-15(23)11-6-5-10(17)7-19-11/h2-7H,8-9H2,1H3,(H2,18,22)(H,20,21,23)/t16-/m0/s1
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n/an/a 41n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Chinese hamster ovary cells are transfected with the human gene for amyloid precursor protein. The cells are plated at a density of 8000 cells/well i...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM116244
PNG
(US10035794, Example 20 | US8637508, 20)
Show SMILES C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cccc(NC(=O)c2ncc(cc2Cl)C#N)n1
Show InChI InChI=1S/C19H16ClF3N6O2/c1-17(9-31-18(2,16(25)29-17)19(21,22)23)12-4-3-5-13(27-12)28-15(30)14-11(20)6-10(7-24)8-26-14/h3-6,8H,9H2,1-2H3,(H2,25,29)(H,27,28,30)/t17-,18+/m0/s1
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n/an/a 41n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM116263
PNG
(US10035794, Example 40 | US8637508, 40)
Show SMILES NC1=N[C@](COC1)(C(F)F)c1nc(NC(=O)c2ncc(cc2Cl)C#N)ccc1F
Show InChI InChI=1S/C17H12ClF3N6O2/c18-9-3-8(4-22)5-24-13(9)15(28)26-12-2-1-10(19)14(25-12)17(16(20)21)7-29-6-11(23)27-17/h1-3,5,16H,6-7H2,(H2,23,27)(H,25,26,28)/t17-/m0/s1
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n/an/a 42n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Recombinant BACE-1 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM116243
PNG
(US10035794, Example 19 | US8637508, 19)
Show SMILES C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cccc(NC(=O)c2ncc(cc2N)C#N)n1
Show InChI InChI=1S/C19H18F3N7O2/c1-17(9-31-18(2,16(25)29-17)19(20,21)22)12-4-3-5-13(27-12)28-15(30)14-11(24)6-10(7-23)8-26-14/h3-6,8H,9,24H2,1-2H3,(H2,25,29)(H,27,28,30)/t17-,18+/m0/s1
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n/an/a 43n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Recombinant BACE-1 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM116255
PNG
(US10035794, Example 32 | US8637508, 32)
Show SMILES Cc1cc(OCF)cnc1C(=O)Nc1ccc(F)c(n1)[C@]1(C)CO[C@](C)(C(N)=N1)C(F)(F)F
Show InChI InChI=1S/C20H20F5N5O3/c1-10-6-11(32-9-21)7-27-14(10)16(31)29-13-5-4-12(22)15(28-13)18(2)8-33-19(3,17(26)30-18)20(23,24)25/h4-7H,8-9H2,1-3H3,(H2,26,30)(H,28,29,31)/t18-,19+/m0/s1
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n/an/a 45n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Recombinant BACE-1 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM116243
PNG
(US10035794, Example 19 | US8637508, 19)
Show SMILES C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cccc(NC(=O)c2ncc(cc2N)C#N)n1
Show InChI InChI=1S/C19H18F3N7O2/c1-17(9-31-18(2,16(25)29-17)19(20,21)22)12-4-3-5-13(27-12)28-15(30)14-11(24)6-10(7-23)8-26-14/h3-6,8H,9,24H2,1-2H3,(H2,25,29)(H,27,28,30)/t17-,18+/m0/s1
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n/an/a 48n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Chinese hamster ovary cells are transfected with the human gene for amyloid precursor protein. The cells are plated at a density of 8000 cells/well i...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM116240
PNG
(US10035794, Example 16 | US8637508, 16)
Show SMILES Cc1cc(cnc1C(=O)Nc1cc(c(F)cn1)[C@]1(C)CO[C@](C)(C(N)=N1)C(F)(F)F)C#N
Show InChI InChI=1S/C20H18F4N6O2/c1-10-4-11(6-25)7-28-15(10)16(31)29-14-5-12(13(21)8-27-14)18(2)9-32-19(3,17(26)30-18)20(22,23)24/h4-5,7-8H,9H2,1-3H3,(H2,26,30)(H,27,29,31)/t18-,19+/m0/s1
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n/an/a 55n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM116228
PNG
(US10035794, Example 2 | US8637508, 2)
Show SMILES CC1(COCC(N)=N1)c1cccc(NC(=O)c2ccc(Br)cn2)n1
Show InChI InChI=1S/C16H16BrN5O2/c1-16(9-24-8-13(18)22-16)12-3-2-4-14(20-12)21-15(23)11-6-5-10(17)7-19-11/h2-7H,8-9H2,1H3,(H2,18,22)(H,20,21,23)
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n/an/a 58n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Chinese hamster ovary cells are transfected with the human gene for amyloid precursor protein. The cells are plated at a density of 8000 cells/well i...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM279662
PNG
(US10035794, Example 6)
Show SMILES Cc1cc(Cl)cnc1C(=O)Nc1cccc(n1)C1(CF)COCC([NH3+])=N1
Show InChI InChI=1S/C17H17ClFN5O2/c1-10-5-11(18)6-21-15(10)16(25)23-14-4-2-3-12(22-14)17(8-19)9-26-7-13(20)24-17/h2-6H,7-9H2,1H3,(H2,20,24)(H,22,23,25)/p+1
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n/an/a 63n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Chinese hamster ovary cells are transfected with the human gene for amyloid precursor protein. The cells are plated at a density of 8000 cells/well i...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM116265
PNG
(US10035794, Example 42 | US8637508, 42)
Show SMILES C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1nc(NC(=O)c2ncc(OCCCF)nc2N)ccc1F
Show InChI InChI=1S/C20H22F5N7O3/c1-18(9-35-19(2,17(27)32-18)20(23,24)25)14-10(22)4-5-11(29-14)30-16(33)13-15(26)31-12(8-28-13)34-7-3-6-21/h4-5,8H,3,6-7,9H2,1-2H3,(H2,26,31)(H2,27,32)(H,29,30,33)/t18-,19+/m0/s1
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n/an/a 72n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Chinese hamster ovary cells are transfected with the human gene for amyloid precursor protein. The cells are plated at a density of 8000 cells/well i...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM116248
PNG
(US10035794, Example 25 | US8637508, 25)
Show SMILES COc1cnc(C(=O)Nc2ccc(F)c(n2)[C@]2(C)CO[C@](C)(C(N)=N2)C(F)(F)F)c(C)c1
Show InChI InChI=1S/C20H21F4N5O3/c1-10-7-11(31-4)8-26-14(10)16(30)28-13-6-5-12(21)15(27-13)18(2)9-32-19(3,17(25)29-18)20(22,23)24/h5-8H,9H2,1-4H3,(H2,25,29)(H,27,28,30)/t18-,19+/m0/s1
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n/an/a 76n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Chinese hamster ovary cells are transfected with the human gene for amyloid precursor protein. The cells are plated at a density of 8000 cells/well i...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM116240
PNG
(US10035794, Example 16 | US8637508, 16)
Show SMILES Cc1cc(cnc1C(=O)Nc1cc(c(F)cn1)[C@]1(C)CO[C@](C)(C(N)=N1)C(F)(F)F)C#N
Show InChI InChI=1S/C20H18F4N6O2/c1-10-4-11(6-25)7-28-15(10)16(31)29-14-5-12(13(21)8-27-14)18(2)9-32-19(3,17(26)30-18)20(22,23)24/h4-5,7-8H,9H2,1-3H3,(H2,26,30)(H,27,29,31)/t18-,19+/m0/s1
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n/an/a 77n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Chinese hamster ovary cells are transfected with the human gene for amyloid precursor protein. The cells are plated at a density of 8000 cells/well i...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM116240
PNG
(US10035794, Example 16 | US8637508, 16)
Show SMILES Cc1cc(cnc1C(=O)Nc1cc(c(F)cn1)[C@]1(C)CO[C@](C)(C(N)=N1)C(F)(F)F)C#N
Show InChI InChI=1S/C20H18F4N6O2/c1-10-4-11(6-25)7-28-15(10)16(31)29-14-5-12(13(21)8-27-14)18(2)9-32-19(3,17(26)30-18)20(22,23)24/h4-5,7-8H,9H2,1-3H3,(H2,26,30)(H,27,29,31)/t18-,19+/m0/s1
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n/an/a 82n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Recombinant BACE-1 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM116243
PNG
(US10035794, Example 19 | US8637508, 19)
Show SMILES C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cccc(NC(=O)c2ncc(cc2N)C#N)n1
Show InChI InChI=1S/C19H18F3N7O2/c1-17(9-31-18(2,16(25)29-17)19(20,21)22)12-4-3-5-13(27-12)28-15(30)14-11(24)6-10(7-23)8-26-14/h3-6,8H,9,24H2,1-2H3,(H2,25,29)(H,27,28,30)/t17-,18+/m0/s1
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n/an/a 82n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM116260
PNG
(US10035794, Example 37 | US8637508, 37)
Show SMILES Cc1cc(cnc1C(=O)Nc1cc(c(F)cn1)[C@]1(C)COC(CF)(CF)C(N)=N1)C#N
Show InChI InChI=1S/C20H19F3N6O2/c1-11-3-12(5-24)6-27-16(11)17(30)28-15-4-13(14(23)7-26-15)19(2)10-31-20(8-21,9-22)18(25)29-19/h3-4,6-7H,8-10H2,1-2H3,(H2,25,29)(H,26,28,30)/t19-/m0/s1
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n/an/a 83n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Chinese hamster ovary cells are transfected with the human gene for amyloid precursor protein. The cells are plated at a density of 8000 cells/well i...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM116248
PNG
(US10035794, Example 25 | US8637508, 25)
Show SMILES COc1cnc(C(=O)Nc2ccc(F)c(n2)[C@]2(C)CO[C@](C)(C(N)=N2)C(F)(F)F)c(C)c1
Show InChI InChI=1S/C20H21F4N5O3/c1-10-7-11(31-4)8-26-14(10)16(30)28-13-6-5-12(21)15(27-13)18(2)9-32-19(3,17(25)29-18)20(22,23)24/h5-8H,9H2,1-4H3,(H2,25,29)(H,27,28,30)/t18-,19+/m0/s1
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Novartis AG

US Patent


Assay Description
Recombinant BACE-1 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM279660
PNG
(US10035794, Example 4)
Show SMILES [NH3+]C1=NC(CF)(COC1)c1cccc(NC(=O)c2ccc(Br)cn2)n1
Show InChI InChI=1S/C16H15BrFN5O2/c17-10-4-5-11(20-6-10)15(24)22-14-3-1-2-12(21-14)16(8-18)9-25-7-13(19)23-16/h1-6H,7-9H2,(H2,19,23)(H,21,22,24)/p+1
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n/an/a 98n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Chinese hamster ovary cells are transfected with the human gene for amyloid precursor protein. The cells are plated at a density of 8000 cells/well i...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM116235
PNG
(US10035794, Example 10 | US8637508, 10)
Show SMILES C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cccc(NC(=O)c2ccc(cn2)C#N)n1
Show InChI InChI=1S/C19H17F3N6O2/c1-17(10-30-18(2,16(24)28-17)19(20,21)22)13-4-3-5-14(26-13)27-15(29)12-7-6-11(8-23)9-25-12/h3-7,9H,10H2,1-2H3,(H2,24,28)(H,26,27,29)/t17-,18+/m0/s1
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Novartis AG

US Patent


Assay Description
Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM279677
PNG
(US10035794, Example 21)
Show SMILES Cc1cc(Cl)cnc1C(=O)Nc1cccc(n1)[C@]1(C)CO[C@](C)(C(N)=N1)C(F)(F)F
Show InChI InChI=1S/C19H19ClF3N5O2/c1-10-7-11(20)8-25-14(10)15(29)27-13-6-4-5-12(26-13)17(2)9-30-18(3,16(24)28-17)19(21,22)23/h4-8H,9H2,1-3H3,(H2,24,28)(H,26,27,29)/t17-,18+/m0/s1
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n/an/a 110n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Chinese hamster ovary cells are transfected with the human gene for amyloid precursor protein. The cells are plated at a density of 8000 cells/well i...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM116258
PNG
(US10035794, Example 35 | US8637508, 35)
Show SMILES C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ncc(cc2Cl)C#N)ncc1F
Show InChI InChI=1S/C19H15ClF4N6O2/c1-17(8-32-18(2,16(26)30-17)19(22,23)24)10-4-13(27-7-12(10)21)29-15(31)14-11(20)3-9(5-25)6-28-14/h3-4,6-7H,8H2,1-2H3,(H2,26,30)(H,27,29,31)/t17-,18+/m0/s1
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n/an/a 120n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM279674
PNG
(5-Bromo-pyridine-2-carboxylic acid [5-(5-amino-3-f...)
Show SMILES Cl.NC1=NC(CF)(COC1)c1cc(NC(=O)c2ccc(Br)cn2)cnc1Cl
Show InChI InChI=1S/C16H14BrClFN5O2.ClH/c17-9-1-2-12(21-4-9)15(25)23-10-3-11(14(18)22-5-10)16(7-19)8-26-6-13(20)24-16;/h1-5H,6-8H2,(H2,20,24)(H,23,25);1H
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n/an/a 130n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM116264
PNG
(US10035794, Example 41 | US8637508, 41)
Show SMILES Cc1cnc(C(=O)Nc2ccc(F)c(n2)[C@]2(C)CO[C@](C)(C(N)=N2)C(F)(F)F)c(C)n1
Show InChI InChI=1S/C19H20F4N6O2/c1-9-7-25-13(10(2)26-9)15(30)28-12-6-5-11(20)14(27-12)17(3)8-31-18(4,16(24)29-17)19(21,22)23/h5-7H,8H2,1-4H3,(H2,24,29)(H,27,28,30)/t17-,18+/m0/s1
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n/an/a 130n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM116256
PNG
(US10035794, Example 33 | US8637508, 33)
Show SMILES Cc1cnc(cn1)C(=O)Nc1ccc(F)c(n1)[C@]1(C)CO[C@](C)(C(N)=N1)C(F)(F)F
Show InChI InChI=1S/C18H18F4N6O2/c1-9-6-25-11(7-24-9)14(29)27-12-5-4-10(19)13(26-12)16(2)8-30-17(3,15(23)28-16)18(20,21)22/h4-7H,8H2,1-3H3,(H2,23,28)(H,26,27,29)/t16-,17+/m0/s1
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n/an/a 130n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Chinese hamster ovary cells are transfected with the human gene for amyloid precursor protein. The cells are plated at a density of 8000 cells/well i...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM279674
PNG
(5-Bromo-pyridine-2-carboxylic acid [5-(5-amino-3-f...)
Show SMILES Cl.NC1=NC(CF)(COC1)c1cc(NC(=O)c2ccc(Br)cn2)cnc1Cl
Show InChI InChI=1S/C16H14BrClFN5O2.ClH/c17-9-1-2-12(21-4-9)15(25)23-10-3-11(14(18)22-5-10)16(7-19)8-26-6-13(20)24-16;/h1-5H,6-8H2,(H2,20,24)(H,23,25);1H
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n/an/a 140n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Recombinant BACE-1 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM279659
PNG
(5-{6-[(5-Chloro-pyridine-2-carbonyl)-amino]-pyridi...)
Show SMILES NC1=NC(CF)(COC1)c1cccc(NC(=O)c2ccc(Cl)cn2)n1
Show InChI InChI=1S/C16H15ClFN5O2/c17-10-4-5-11(20-6-10)15(24)22-14-3-1-2-12(21-14)16(8-18)9-25-7-13(19)23-16/h1-6H,7-9H2,(H2,19,23)(H,21,22,24)
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n/an/a 140n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Chinese hamster ovary cells are transfected with the human gene for amyloid precursor protein. The cells are plated at a density of 8000 cells/well i...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM116258
PNG
(US10035794, Example 35 | US8637508, 35)
Show SMILES C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ncc(cc2Cl)C#N)ncc1F
Show InChI InChI=1S/C19H15ClF4N6O2/c1-17(8-32-18(2,16(26)30-17)19(22,23)24)10-4-13(27-7-12(10)21)29-15(31)14-11(20)3-9(5-25)6-28-14/h3-4,6-7H,8H2,1-2H3,(H2,26,30)(H,27,29,31)/t17-,18+/m0/s1
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n/an/a 140n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Chinese hamster ovary cells are transfected with the human gene for amyloid precursor protein. The cells are plated at a density of 8000 cells/well i...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM116258
PNG
(US10035794, Example 35 | US8637508, 35)
Show SMILES C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ncc(cc2Cl)C#N)ncc1F
Show InChI InChI=1S/C19H15ClF4N6O2/c1-17(8-32-18(2,16(26)30-17)19(22,23)24)10-4-13(27-7-12(10)21)29-15(31)14-11(20)3-9(5-25)6-28-14/h3-4,6-7H,8H2,1-2H3,(H2,26,30)(H,27,29,31)/t17-,18+/m0/s1
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n/an/a 150n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Recombinant BACE-1 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM116261
PNG
(US10035794, Example 38 | US8637508, 38)
Show SMILES Cc1cc(cnc1C(=O)Nc1ccc(F)c(n1)[C@@]1(COCC(N)=N1)C(F)F)C#N
Show InChI InChI=1S/C18H15F3N6O2/c1-9-4-10(5-22)6-24-14(9)16(28)26-13-3-2-11(19)15(25-13)18(17(20)21)8-29-7-12(23)27-18/h2-4,6,17H,7-8H2,1H3,(H2,23,27)(H,25,26,28)/t18-/m0/s1
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n/an/a 160n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM116264
PNG
(US10035794, Example 41 | US8637508, 41)
Show SMILES Cc1cnc(C(=O)Nc2ccc(F)c(n2)[C@]2(C)CO[C@](C)(C(N)=N2)C(F)(F)F)c(C)n1
Show InChI InChI=1S/C19H20F4N6O2/c1-9-7-25-13(10(2)26-9)15(30)28-12-6-5-11(20)14(27-12)17(3)8-31-18(4,16(24)29-17)19(21,22)23/h5-7H,8H2,1-4H3,(H2,24,29)(H,27,28,30)/t17-,18+/m0/s1
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n/an/a 161n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Chinese hamster ovary cells are transfected with the human gene for amyloid precursor protein. The cells are plated at a density of 8000 cells/well i...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM116263
PNG
(US10035794, Example 40 | US8637508, 40)
Show SMILES NC1=N[C@](COC1)(C(F)F)c1nc(NC(=O)c2ncc(cc2Cl)C#N)ccc1F
Show InChI InChI=1S/C17H12ClF3N6O2/c18-9-3-8(4-22)5-24-13(9)15(28)26-12-2-1-10(19)14(25-12)17(16(20)21)7-29-6-11(23)27-17/h1-3,5,16H,6-7H2,(H2,23,27)(H,25,26,28)/t17-/m0/s1
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n/an/a 170n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM116267
PNG
(US10035794, Example 44 | US8637508, 44)
Show SMILES C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1nc(NC(=O)c2ncc(nc2N)C(F)(F)F)ccc1F
Show InChI InChI=1S/C18H16F7N7O2/c1-15(6-34-16(2,14(27)32-15)18(23,24)25)11-7(19)3-4-9(30-11)31-13(33)10-12(26)29-8(5-28-10)17(20,21)22/h3-5H,6H2,1-2H3,(H2,26,29)(H2,27,32)(H,30,31,33)/t15-,16+/m0/s1
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n/an/a 180n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM116265
PNG
(US10035794, Example 42 | US8637508, 42)
Show SMILES C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1nc(NC(=O)c2ncc(OCCCF)nc2N)ccc1F
Show InChI InChI=1S/C20H22F5N7O3/c1-18(9-35-19(2,17(27)32-18)20(23,24)25)14-10(22)4-5-11(29-14)30-16(33)13-15(26)31-12(8-28-13)34-7-3-6-21/h4-5,8H,3,6-7,9H2,1-2H3,(H2,26,31)(H2,27,32)(H,29,30,33)/t18-,19+/m0/s1
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Novartis AG

US Patent


Assay Description
Recombinant BACE-1 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM116264
PNG
(US10035794, Example 41 | US8637508, 41)
Show SMILES Cc1cnc(C(=O)Nc2ccc(F)c(n2)[C@]2(C)CO[C@](C)(C(N)=N2)C(F)(F)F)c(C)n1
Show InChI InChI=1S/C19H20F4N6O2/c1-9-7-25-13(10(2)26-9)15(30)28-12-6-5-11(20)14(27-12)17(3)8-31-18(4,16(24)29-17)19(21,22)23/h5-7H,8H2,1-4H3,(H2,24,29)(H,27,28,30)/t17-,18+/m0/s1
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Novartis AG

US Patent


Assay Description
Recombinant BACE-1 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM279662
PNG
(US10035794, Example 6)
Show SMILES Cc1cc(Cl)cnc1C(=O)Nc1cccc(n1)C1(CF)COCC([NH3+])=N1
Show InChI InChI=1S/C17H17ClFN5O2/c1-10-5-11(18)6-21-15(10)16(25)23-14-4-2-3-12(22-14)17(8-19)9-26-7-13(20)24-17/h2-6H,7-9H2,1H3,(H2,20,24)(H,22,23,25)/p+1
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n/an/a 240n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM116227
PNG
(US10035794, Example 1 | US8637508, 1)
Show SMILES C[C@]1(COCC(N)=N1)c1cccc(NC(=O)c2ccc(Br)cn2)n1
Show InChI InChI=1S/C16H16BrN5O2/c1-16(9-24-8-13(18)22-16)12-3-2-4-14(20-12)21-15(23)11-6-5-10(17)7-19-11/h2-7H,8-9H2,1H3,(H2,18,22)(H,20,21,23)/t16-/m0/s1
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Novartis AG

US Patent


Assay Description
Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM279661
PNG
(US10035794, Example 5)
Show SMILES Cc1cc(cnc1C(=O)Nc1cccc(n1)C1(CF)COCC([NH3+])=N1)C#N
Show InChI InChI=1S/C18H17FN6O2/c1-11-5-12(6-20)7-22-16(11)17(26)24-15-4-2-3-13(23-15)18(9-19)10-27-8-14(21)25-18/h2-5,7H,8-10H2,1H3,(H2,21,25)(H,23,24,26)/p+1
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n/an/a 270n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Recombinant BACE-1 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM116259
PNG
(US10035794, Example 36 | US8637508, 36)
Show SMILES C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ncc(OC(F)F)cc2Cl)ncc1F
Show InChI InChI=1S/C19H16ClF6N5O3/c1-17(7-33-18(2,15(27)31-17)19(24,25)26)9-4-12(28-6-11(9)21)30-14(32)13-10(20)3-8(5-29-13)34-16(22)23/h3-6,16H,7H2,1-2H3,(H2,27,31)(H,28,30,32)/t17-,18+/m0/s1
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Novartis AG

US Patent


Assay Description
Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM116237
PNG
(US10035794, Example 12 | US8637508, 12)
Show SMILES Cc1cc(cnc1C(=O)Nc1ccc(F)c(n1)[C@@]1(C)CO[C@](C)(C(N)=N1)C(F)(F)F)C#N
Show InChI InChI=1S/C20H18F4N6O2/c1-10-6-11(7-25)8-27-14(10)16(31)29-13-5-4-12(21)15(28-13)18(2)9-32-19(3,17(26)30-18)20(22,23)24/h4-6,8H,9H2,1-3H3,(H2,26,30)(H,28,29,31)/t18-,19-/m1/s1
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Novartis AG

US Patent


Assay Description
Chinese hamster ovary cells are transfected with the human gene for amyloid precursor protein. The cells are plated at a density of 8000 cells/well i...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM116249
PNG
(US10035794, Example 26 | US8637508, 26)
Show SMILES C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1nc(NC(=O)c2ncc(OCC(F)(F)F)nc2N)ccc1F
Show InChI InChI=1S/C19H18F7N7O3/c1-16(6-36-17(2,15(28)33-16)19(24,25)26)12-8(20)3-4-9(30-12)31-14(34)11-13(27)32-10(5-29-11)35-7-18(21,22)23/h3-5H,6-7H2,1-2H3,(H2,27,32)(H2,28,33)(H,30,31,34)/t16-,17+/m0/s1
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n/an/a 280n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Chinese hamster ovary cells are transfected with the human gene for amyloid precursor protein. The cells are plated at a density of 8000 cells/well i...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM116262
PNG
(US10035794, Example 39 | US8637508, 39)
Show SMILES Cc1cc(cnc1C(=O)Nc1ccc(F)c(n1)[C@]1(COCC(N)=N1)C(F)F)C#N
Show InChI InChI=1S/C18H15F3N6O2/c1-9-4-10(5-22)6-24-14(9)16(28)26-13-3-2-11(19)15(25-13)18(17(20)21)8-29-7-12(23)27-18/h2-4,6,17H,7-8H2,1H3,(H2,23,27)(H,25,26,28)/t18-/m1/s1
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n/an/a 290n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Chinese hamster ovary cells are transfected with the human gene for amyloid precursor protein. The cells are plated at a density of 8000 cells/well i...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM116256
PNG
(US10035794, Example 33 | US8637508, 33)
Show SMILES Cc1cnc(cn1)C(=O)Nc1ccc(F)c(n1)[C@]1(C)CO[C@](C)(C(N)=N1)C(F)(F)F
Show InChI InChI=1S/C18H18F4N6O2/c1-9-6-25-11(7-24-9)14(29)27-12-5-4-10(19)13(26-12)16(2)8-30-17(3,15(23)28-16)18(20,21)22/h4-7H,8H2,1-3H3,(H2,23,28)(H,26,27,29)/t16-,17+/m0/s1
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Novartis AG

US Patent


Assay Description
Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM116228
PNG
(US10035794, Example 2 | US8637508, 2)
Show SMILES CC1(COCC(N)=N1)c1cccc(NC(=O)c2ccc(Br)cn2)n1
Show InChI InChI=1S/C16H16BrN5O2/c1-16(9-24-8-13(18)22-16)12-3-2-4-14(20-12)21-15(23)11-6-5-10(17)7-19-11/h2-7H,8-9H2,1H3,(H2,18,22)(H,20,21,23)
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Novartis AG

US Patent


Assay Description
Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM116266
PNG
(US10035794, Example 43 | US8637508, 43)
Show SMILES COCCn1ccc2nc(C(=O)Nc3ccc(F)c(n3)[C@]3(C)CO[C@](C)(C(N)=N3)C(F)(F)F)c(N)nc12
Show InChI InChI=1S/C22H24F4N8O3/c1-20(10-37-21(2,19(28)33-20)22(24,25)26)15-11(23)4-5-13(30-15)31-18(35)14-16(27)32-17-12(29-14)6-7-34(17)8-9-36-3/h4-7H,8-10H2,1-3H3,(H2,27,32)(H2,28,33)(H,30,31,35)/t20-,21+/m0/s1
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n/an/a 370n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Chinese hamster ovary cells are transfected with the human gene for amyloid precursor protein. The cells are plated at a density of 8000 cells/well i...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM116260
PNG
(US10035794, Example 37 | US8637508, 37)
Show SMILES Cc1cc(cnc1C(=O)Nc1cc(c(F)cn1)[C@]1(C)COC(CF)(CF)C(N)=N1)C#N
Show InChI InChI=1S/C20H19F3N6O2/c1-11-3-12(5-24)6-27-16(11)17(30)28-15-4-13(14(23)7-26-15)19(2)10-31-20(8-21,9-22)18(25)29-19/h3-4,6-7H,8-10H2,1-2H3,(H2,25,29)(H,26,28,30)/t19-/m0/s1
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Novartis AG

US Patent


Assay Description
Recombinant BACE-1 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM116227
PNG
(US10035794, Example 1 | US8637508, 1)
Show SMILES C[C@]1(COCC(N)=N1)c1cccc(NC(=O)c2ccc(Br)cn2)n1
Show InChI InChI=1S/C16H16BrN5O2/c1-16(9-24-8-13(18)22-16)12-3-2-4-14(20-12)21-15(23)11-6-5-10(17)7-19-11/h2-7H,8-9H2,1H3,(H2,18,22)(H,20,21,23)/t16-/m0/s1
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Novartis AG

US Patent


Assay Description
Recombinant BACE-1 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM116249
PNG
(US10035794, Example 26 | US8637508, 26)
Show SMILES C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1nc(NC(=O)c2ncc(OCC(F)(F)F)nc2N)ccc1F
Show InChI InChI=1S/C19H18F7N7O3/c1-16(6-36-17(2,15(28)33-16)19(24,25)26)12-8(20)3-4-9(30-12)31-14(34)11-13(27)32-10(5-29-11)35-7-18(21,22)23/h3-5H,6-7H2,1-2H3,(H2,27,32)(H2,28,33)(H,30,31,34)/t16-,17+/m0/s1
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Novartis AG

US Patent


Assay Description
Recombinant BACE-1 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM116259
PNG
(US10035794, Example 36 | US8637508, 36)
Show SMILES C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ncc(OC(F)F)cc2Cl)ncc1F
Show InChI InChI=1S/C19H16ClF6N5O3/c1-17(7-33-18(2,15(27)31-17)19(24,25)26)9-4-12(28-6-11(9)21)30-14(32)13-10(20)3-8(5-29-13)34-16(22)23/h3-6,16H,7H2,1-2H3,(H2,27,31)(H,28,30,32)/t17-,18+/m0/s1
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Novartis AG

US Patent


Assay Description
Recombinant BACE-1 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM116259
PNG
(US10035794, Example 36 | US8637508, 36)
Show SMILES C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ncc(OC(F)F)cc2Cl)ncc1F
Show InChI InChI=1S/C19H16ClF6N5O3/c1-17(7-33-18(2,15(27)31-17)19(24,25)26)9-4-12(28-6-11(9)21)30-14(32)13-10(20)3-8(5-29-13)34-16(22)23/h3-6,16H,7H2,1-2H3,(H2,27,31)(H,28,30,32)/t17-,18+/m0/s1
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n/an/a 410n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Chinese hamster ovary cells are transfected with the human gene for amyloid precursor protein. The cells are plated at a density of 8000 cells/well i...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM116260
PNG
(US10035794, Example 37 | US8637508, 37)
Show SMILES Cc1cc(cnc1C(=O)Nc1cc(c(F)cn1)[C@]1(C)COC(CF)(CF)C(N)=N1)C#N
Show InChI InChI=1S/C20H19F3N6O2/c1-11-3-12(5-24)6-27-16(11)17(30)28-15-4-13(14(23)7-26-15)19(2)10-31-20(8-21,9-22)18(25)29-19/h3-4,6-7H,8-10H2,1-2H3,(H2,25,29)(H,26,28,30)/t19-/m0/s1
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Novartis AG

US Patent


Assay Description
Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM116237
PNG
(US10035794, Example 12 | US8637508, 12)
Show SMILES Cc1cc(cnc1C(=O)Nc1ccc(F)c(n1)[C@@]1(C)CO[C@](C)(C(N)=N1)C(F)(F)F)C#N
Show InChI InChI=1S/C20H18F4N6O2/c1-10-6-11(7-25)8-27-14(10)16(31)29-13-5-4-12(21)15(28-13)18(2)9-32-19(3,17(26)30-18)20(22,23)24/h4-6,8H,9H2,1-3H3,(H2,26,30)(H,28,29,31)/t18-,19-/m1/s1
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Novartis AG

US Patent


Assay Description
Recombinant BACE-1 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM279669
PNG
(5-{2-[(5-Chloro-4,6-dideutero-3-trideuteromethyl-p...)
Show SMILES Cc1cc(Cl)cnc1C(=O)Nc1cc(ccn1)C1(CF)COCC(N)=N1
Show InChI InChI=1S/C17H17ClFN5O2/c1-10-4-12(18)6-22-15(10)16(25)23-14-5-11(2-3-21-14)17(8-19)9-26-7-13(20)24-17/h2-6H,7-9H2,1H3,(H2,20,24)(H,21,23,25)
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n/an/a 550n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Chinese hamster ovary cells are transfected with the human gene for amyloid precursor protein. The cells are plated at a density of 8000 cells/well i...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM279662
PNG
(US10035794, Example 6)
Show SMILES Cc1cc(Cl)cnc1C(=O)Nc1cccc(n1)C1(CF)COCC([NH3+])=N1
Show InChI InChI=1S/C17H17ClFN5O2/c1-10-5-11(18)6-21-15(10)16(25)23-14-4-2-3-12(22-14)17(8-19)9-26-7-13(20)24-17/h2-6H,7-9H2,1H3,(H2,20,24)(H,22,23,25)/p+1
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Novartis AG

US Patent


Assay Description
Recombinant BACE-1 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM279663
PNG
(US10035794, Example 7)
Show SMILES [O-]C(=O)C(F)(F)F.NC(=S)c1ccc(nc1)C(=O)Nc1cccc(n1)C1(CF)COCC([NH3+])=N1
Show InChI InChI=1S/C17H17FN6O2S.C2HF3O2/c18-8-17(9-26-7-13(19)24-17)12-2-1-3-14(22-12)23-16(25)11-5-4-10(6-21-11)15(20)27;3-2(4,5)1(6)7/h1-6H,7-9H2,(H2,19,24)(H2,20,27)(H,22,23,25);(H,6,7)
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n/an/a 640n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Chinese hamster ovary cells are transfected with the human gene for amyloid precursor protein. The cells are plated at a density of 8000 cells/well i...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM279670
PNG
(US10035794, Example 14)
Show SMILES [NH3+]C1=NC(CF)(COC1)c1ccnc(NC(=O)c2ccc(Cl)cn2)c1
Show InChI InChI=1S/C16H15ClFN5O2/c17-11-1-2-12(21-6-11)15(24)22-14-5-10(3-4-20-14)16(8-18)9-25-7-13(19)23-16/h1-6H,7-9H2,(H2,19,23)(H,20,22,24)/p+1
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n/an/a 660n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Chinese hamster ovary cells are transfected with the human gene for amyloid precursor protein. The cells are plated at a density of 8000 cells/well i...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM116246
PNG
(US10035794, Example 23 | US8637508, 23)
Show SMILES C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cccc(NC(=O)c2ncc(OCC(F)(F)F)nc2N)n1
Show InChI InChI=1S/C19H19F6N7O3/c1-16(7-35-17(2,15(27)32-16)19(23,24)25)9-4-3-5-10(29-9)30-14(33)12-13(26)31-11(6-28-12)34-8-18(20,21)22/h3-6H,7-8H2,1-2H3,(H2,26,31)(H2,27,32)(H,29,30,33)/t16-,17+/m0/s1
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n/an/a 700n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Chinese hamster ovary cells are transfected with the human gene for amyloid precursor protein. The cells are plated at a density of 8000 cells/well i...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM116228
PNG
(US10035794, Example 2 | US8637508, 2)
Show SMILES CC1(COCC(N)=N1)c1cccc(NC(=O)c2ccc(Br)cn2)n1
Show InChI InChI=1S/C16H16BrN5O2/c1-16(9-24-8-13(18)22-16)12-3-2-4-14(20-12)21-15(23)11-6-5-10(17)7-19-11/h2-7H,8-9H2,1H3,(H2,18,22)(H,20,21,23)
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Novartis AG

US Patent


Assay Description
Recombinant BACE-1 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM116256
PNG
(US10035794, Example 33 | US8637508, 33)
Show SMILES Cc1cnc(cn1)C(=O)Nc1ccc(F)c(n1)[C@]1(C)CO[C@](C)(C(N)=N1)C(F)(F)F
Show InChI InChI=1S/C18H18F4N6O2/c1-9-6-25-11(7-24-9)14(29)27-12-5-4-10(19)13(26-12)16(2)8-30-17(3,15(23)28-16)18(20,21)22/h4-7H,8H2,1-3H3,(H2,23,28)(H,26,27,29)/t16-,17+/m0/s1
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Novartis AG

US Patent


Assay Description
Recombinant BACE-1 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM116265
PNG
(US10035794, Example 42 | US8637508, 42)
Show SMILES C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1nc(NC(=O)c2ncc(OCCCF)nc2N)ccc1F
Show InChI InChI=1S/C20H22F5N7O3/c1-18(9-35-19(2,17(27)32-18)20(23,24)25)14-10(22)4-5-11(29-14)30-16(33)13-15(26)31-12(8-28-13)34-7-3-6-21/h4-5,8H,3,6-7,9H2,1-2H3,(H2,26,31)(H2,27,32)(H,29,30,33)/t18-,19+/m0/s1
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Novartis AG

US Patent


Assay Description
Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM279661
PNG
(US10035794, Example 5)
Show SMILES Cc1cc(cnc1C(=O)Nc1cccc(n1)C1(CF)COCC([NH3+])=N1)C#N
Show InChI InChI=1S/C18H17FN6O2/c1-11-5-12(6-20)7-22-16(11)17(26)24-15-4-2-3-13(23-15)18(9-19)10-27-8-14(21)25-18/h2-5,7H,8-10H2,1H3,(H2,21,25)(H,23,24,26)/p+1
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Novartis AG

US Patent


Assay Description
Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM116247
PNG
(US10035794, Example 24 | US8637508, 24)
Show SMILES C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1nc(NC(=O)c2ncc(cc2Cl)C#N)ccc1F
Show InChI InChI=1S/C19H15ClF4N6O2/c1-17(8-32-18(2,16(26)30-17)19(22,23)24)14-11(21)3-4-12(28-14)29-15(31)13-10(20)5-9(6-25)7-27-13/h3-5,7H,8H2,1-2H3,(H2,26,30)(H,28,29,31)/t17-,18+/m0/s1
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Novartis AG

US Patent


Assay Description
Recombinant BACE-1 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM116246
PNG
(US10035794, Example 23 | US8637508, 23)
Show SMILES C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cccc(NC(=O)c2ncc(OCC(F)(F)F)nc2N)n1
Show InChI InChI=1S/C19H19F6N7O3/c1-16(7-35-17(2,15(27)32-16)19(23,24)25)9-4-3-5-10(29-9)30-14(33)12-13(26)31-11(6-28-12)34-8-18(20,21)22/h3-6H,7-8H2,1-2H3,(H2,26,31)(H2,27,32)(H,29,30,33)/t16-,17+/m0/s1
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Novartis AG

US Patent


Assay Description
Recombinant BACE-1 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM116266
PNG
(US10035794, Example 43 | US8637508, 43)
Show SMILES COCCn1ccc2nc(C(=O)Nc3ccc(F)c(n3)[C@]3(C)CO[C@](C)(C(N)=N3)C(F)(F)F)c(N)nc12
Show InChI InChI=1S/C22H24F4N8O3/c1-20(10-37-21(2,19(28)33-20)22(24,25)26)15-11(23)4-5-13(30-15)31-18(35)14-16(27)32-17-12(29-14)6-7-34(17)8-9-36-3/h4-7H,8-10H2,1-3H3,(H2,27,32)(H2,28,33)(H,30,31,35)/t20-,21+/m0/s1
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Novartis AG

US Patent


Assay Description
Recombinant BACE-1 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM116237
PNG
(US10035794, Example 12 | US8637508, 12)
Show SMILES Cc1cc(cnc1C(=O)Nc1ccc(F)c(n1)[C@@]1(C)CO[C@](C)(C(N)=N1)C(F)(F)F)C#N
Show InChI InChI=1S/C20H18F4N6O2/c1-10-6-11(7-25)8-27-14(10)16(31)29-13-5-4-12(21)15(28-13)18(2)9-32-19(3,17(26)30-18)20(22,23)24/h4-6,8H,9H2,1-3H3,(H2,26,30)(H,28,29,31)/t18-,19-/m1/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM279659
PNG
(5-{6-[(5-Chloro-pyridine-2-carbonyl)-amino]-pyridi...)
Show SMILES NC1=NC(CF)(COC1)c1cccc(NC(=O)c2ccc(Cl)cn2)n1
Show InChI InChI=1S/C16H15ClFN5O2/c17-10-4-5-11(20-6-10)15(24)22-14-3-1-2-12(21-14)16(8-18)9-25-7-13(19)23-16/h1-6H,7-9H2,(H2,19,23)(H,21,22,24)
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n/an/a 1.40E+3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM116262
PNG
(US10035794, Example 39 | US8637508, 39)
Show SMILES Cc1cc(cnc1C(=O)Nc1ccc(F)c(n1)[C@]1(COCC(N)=N1)C(F)F)C#N
Show InChI InChI=1S/C18H15F3N6O2/c1-9-4-10(5-22)6-24-14(9)16(28)26-13-3-2-11(19)15(25-13)18(17(20)21)8-29-7-12(23)27-18/h2-4,6,17H,7-8H2,1H3,(H2,23,27)(H,25,26,28)/t18-/m1/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Recombinant BACE-1 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM279669
PNG
(5-{2-[(5-Chloro-4,6-dideutero-3-trideuteromethyl-p...)
Show SMILES Cc1cc(Cl)cnc1C(=O)Nc1cc(ccn1)C1(CF)COCC(N)=N1
Show InChI InChI=1S/C17H17ClFN5O2/c1-10-4-12(18)6-22-15(10)16(25)23-14-5-11(2-3-21-14)17(8-19)9-26-7-13(20)24-17/h2-6H,7-9H2,1H3,(H2,20,24)(H,21,23,25)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM279660
PNG
(US10035794, Example 4)
Show SMILES [NH3+]C1=NC(CF)(COC1)c1cccc(NC(=O)c2ccc(Br)cn2)n1
Show InChI InChI=1S/C16H15BrFN5O2/c17-10-4-5-11(20-6-10)15(24)22-14-3-1-2-12(21-14)16(8-18)9-25-7-13(19)23-16/h1-6H,7-9H2,(H2,19,23)(H,21,22,24)/p+1
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n/an/a 1.60E+3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Recombinant BACE-1 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM279660
PNG
(US10035794, Example 4)
Show SMILES [NH3+]C1=NC(CF)(COC1)c1cccc(NC(=O)c2ccc(Br)cn2)n1
Show InChI InChI=1S/C16H15BrFN5O2/c17-10-4-5-11(20-6-10)15(24)22-14-3-1-2-12(21-14)16(8-18)9-25-7-13(19)23-16/h1-6H,7-9H2,(H2,19,23)(H,21,22,24)/p+1
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n/an/a 1.70E+3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM279665
PNG
(US10035794, Example 9)
Show SMILES C[C@@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cccc(NC(=O)c2ccc(cn2)C#N)n1
Show InChI InChI=1S/C19H17F3N6O2/c1-17(10-30-18(2,16(24)28-17)19(20,21)22)13-4-3-5-14(26-13)27-15(29)12-7-6-11(8-23)9-25-12/h3-7,9H,10H2,1-2H3,(H2,24,28)(H,26,27,29)/t17-,18-/m1/s1
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n/an/a 1.90E+3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Chinese hamster ovary cells are transfected with the human gene for amyloid precursor protein. The cells are plated at a density of 8000 cells/well i...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM116247
PNG
(US10035794, Example 24 | US8637508, 24)
Show SMILES C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1nc(NC(=O)c2ncc(cc2Cl)C#N)ccc1F
Show InChI InChI=1S/C19H15ClF4N6O2/c1-17(8-32-18(2,16(26)30-17)19(22,23)24)14-11(21)3-4-12(28-14)29-15(31)13-10(20)5-9(6-25)7-27-13/h3-5,7H,8H2,1-2H3,(H2,26,30)(H,28,29,31)/t17-,18+/m0/s1
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n/an/a 1.90E+3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM279663
PNG
(US10035794, Example 7)
Show SMILES [O-]C(=O)C(F)(F)F.NC(=S)c1ccc(nc1)C(=O)Nc1cccc(n1)C1(CF)COCC([NH3+])=N1
Show InChI InChI=1S/C17H17FN6O2S.C2HF3O2/c18-8-17(9-26-7-13(19)24-17)12-2-1-3-14(22-12)23-16(25)11-5-4-10(6-21-11)15(20)27;3-2(4,5)1(6)7/h1-6H,7-9H2,(H2,19,24)(H2,20,27)(H,22,23,25);(H,6,7)
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n/an/a 2.10E+3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Recombinant BACE-1 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM279659
PNG
(5-{6-[(5-Chloro-pyridine-2-carbonyl)-amino]-pyridi...)
Show SMILES NC1=NC(CF)(COC1)c1cccc(NC(=O)c2ccc(Cl)cn2)n1
Show InChI InChI=1S/C16H15ClFN5O2/c17-10-4-5-11(20-6-10)15(24)22-14-3-1-2-12(21-14)16(8-18)9-25-7-13(19)23-16/h1-6H,7-9H2,(H2,19,23)(H,21,22,24)
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n/an/a 2.60E+3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Recombinant BACE-1 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM116268
PNG
(US10035794, Example 45 | US8637508, 45)
Show SMILES C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1nc(NC(=O)c2nc3ccn(CC(F)F)c3nc2N)ccc1F
Show InChI InChI=1S/C21H20F6N8O2/c1-19(8-37-20(2,18(29)34-19)21(25,26)27)14-9(22)3-4-12(31-14)32-17(36)13-15(28)33-16-10(30-13)5-6-35(16)7-11(23)24/h3-6,11H,7-8H2,1-2H3,(H2,28,33)(H2,29,34)(H,31,32,36)/t19-,20+/m0/s1
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n/an/a 3.60E+3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Chinese hamster ovary cells are transfected with the human gene for amyloid precursor protein. The cells are plated at a density of 8000 cells/well i...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM279669
PNG
(5-{2-[(5-Chloro-4,6-dideutero-3-trideuteromethyl-p...)
Show SMILES Cc1cc(Cl)cnc1C(=O)Nc1cc(ccn1)C1(CF)COCC(N)=N1
Show InChI InChI=1S/C17H17ClFN5O2/c1-10-4-12(18)6-22-15(10)16(25)23-14-5-11(2-3-21-14)17(8-19)9-26-7-13(20)24-17/h2-6H,7-9H2,1H3,(H2,20,24)(H,21,23,25)
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n/an/a 3.70E+3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Recombinant BACE-1 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM116241
PNG
(US10035794, Example 17 | US8637508, 17)
Show SMILES Cc1cc(cnc1C(=O)Nc1cc(c(F)cn1)[C@@]1(C)CO[C@](C)(C(N)=N1)C(F)(F)F)C#N
Show InChI InChI=1S/C20H18F4N6O2/c1-10-4-11(6-25)7-28-15(10)16(31)29-14-5-12(13(21)8-27-14)18(2)9-32-19(3,17(26)30-18)20(22,23)24/h4-5,7-8H,9H2,1-3H3,(H2,26,30)(H,27,29,31)/t18-,19-/m1/s1
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n/an/a 4.20E+3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM279670
PNG
(US10035794, Example 14)
Show SMILES [NH3+]C1=NC(CF)(COC1)c1ccnc(NC(=O)c2ccc(Cl)cn2)c1
Show InChI InChI=1S/C16H15ClFN5O2/c17-11-1-2-12(21-6-11)15(24)22-14-5-10(3-4-20-14)16(8-18)9-25-7-13(19)23-16/h1-6H,7-9H2,(H2,19,23)(H,20,22,24)/p+1
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n/an/a 4.80E+3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
IDH1 R132H


(Homo sapiens (human))
BDBM116241
PNG
(US10035794, Example 17 | US8637508, 17)
Show SMILES Cc1cc(cnc1C(=O)Nc1cc(c(F)cn1)[C@@]1(C)CO[C@](C)(C(N)=N1)C(F)(F)F)C#N
Show InChI InChI=1S/C20H18F4N6O2/c1-10-4-11(6-25)7-28-15(10)16(31)29-14-5-12(13(21)8-27-14)18(2)9-32-19(3,17(26)30-18)20(22,23)24/h4-5,7-8H,9H2,1-3H3,(H2,26,30)(H,27,29,31)/t18-,19-/m1/s1
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n/an/a 4.80E+3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Chinese hamster ovary cells are transfected with the human gene for amyloid precursor protein. The cells are plated at a density of 8000 cells/well i...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM116270
PNG
(US10035794, Example 47 | US8637508, 47)
Show SMILES C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1nc(NC(=O)c2nc3ccn(CC(F)F)c3cc2Cl)ccc1F
Show InChI InChI=1S/C22H19ClF6N6O2/c1-20(9-37-21(2,19(30)34-20)22(27,28)29)17-11(24)3-4-15(32-17)33-18(36)16-10(23)7-13-12(31-16)5-6-35(13)8-14(25)26/h3-7,14H,8-9H2,1-2H3,(H2,30,34)(H,32,33,36)/t20-,21+/m0/s1
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n/an/a 5.40E+3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM279665
PNG
(US10035794, Example 9)
Show SMILES C[C@@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cccc(NC(=O)c2ccc(cn2)C#N)n1
Show InChI InChI=1S/C19H17F3N6O2/c1-17(10-30-18(2,16(24)28-17)19(20,21)22)13-4-3-5-14(26-13)27-15(29)12-7-6-11(8-23)9-25-12/h3-7,9H,10H2,1-2H3,(H2,24,28)(H,26,27,29)/t17-,18-/m1/s1
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n/an/a 6.20E+3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Recombinant BACE-1 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM116249
PNG
(US10035794, Example 26 | US8637508, 26)
Show SMILES C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1nc(NC(=O)c2ncc(OCC(F)(F)F)nc2N)ccc1F
Show InChI InChI=1S/C19H18F7N7O3/c1-16(6-36-17(2,15(28)33-16)19(24,25)26)12-8(20)3-4-9(30-12)31-14(34)11-13(27)32-10(5-29-11)35-7-18(21,22)23/h3-5H,6-7H2,1-2H3,(H2,27,32)(H2,28,33)(H,30,31,34)/t16-,17+/m0/s1
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n/an/a 6.40E+3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM116262
PNG
(US10035794, Example 39 | US8637508, 39)
Show SMILES Cc1cc(cnc1C(=O)Nc1ccc(F)c(n1)[C@]1(COCC(N)=N1)C(F)F)C#N
Show InChI InChI=1S/C18H15F3N6O2/c1-9-4-10(5-22)6-24-14(9)16(28)26-13-3-2-11(19)15(25-13)18(17(20)21)8-29-7-12(23)27-18/h2-4,6,17H,7-8H2,1H3,(H2,23,27)(H,25,26,28)/t18-/m1/s1
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n/an/a 6.50E+3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM116271
PNG
(US10035794, Example 48 | US8637508, 48)
Show SMILES COCCn1ccc2nc(C(=O)Nc3ccc(F)c(n3)[C@]3(C)CO[C@](C)(C(N)=N3)C(F)(F)F)c(Cl)cc12
Show InChI InChI=1S/C23H23ClF4N6O3/c1-21(11-37-22(2,20(29)33-21)23(26,27)28)18-13(25)4-5-16(31-18)32-19(35)17-12(24)10-15-14(30-17)6-7-34(15)8-9-36-3/h4-7,10H,8-9,11H2,1-3H3,(H2,29,33)(H,31,32,35)/t21-,22+/m0/s1
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n/an/a 7.30E+3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Recombinant BACE-1 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM116241
PNG
(US10035794, Example 17 | US8637508, 17)
Show SMILES Cc1cc(cnc1C(=O)Nc1cc(c(F)cn1)[C@@]1(C)CO[C@](C)(C(N)=N1)C(F)(F)F)C#N
Show InChI InChI=1S/C20H18F4N6O2/c1-10-4-11(6-25)7-28-15(10)16(31)29-14-5-12(13(21)8-27-14)18(2)9-32-19(3,17(26)30-18)20(22,23)24/h4-5,7-8H,9H2,1-3H3,(H2,26,30)(H,27,29,31)/t18-,19-/m1/s1
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n/an/a 7.60E+3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Recombinant BACE-1 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM279670
PNG
(US10035794, Example 14)
Show SMILES [NH3+]C1=NC(CF)(COC1)c1ccnc(NC(=O)c2ccc(Cl)cn2)c1
Show InChI InChI=1S/C16H15ClFN5O2/c17-11-1-2-12(21-6-11)15(24)22-14-5-10(3-4-20-14)16(8-18)9-25-7-13(19)23-16/h1-6H,7-9H2,(H2,19,23)(H,20,22,24)/p+1
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n/an/a 8.10E+3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Recombinant BACE-1 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM279663
PNG
(US10035794, Example 7)
Show SMILES [O-]C(=O)C(F)(F)F.NC(=S)c1ccc(nc1)C(=O)Nc1cccc(n1)C1(CF)COCC([NH3+])=N1
Show InChI InChI=1S/C17H17FN6O2S.C2HF3O2/c18-8-17(9-26-7-13(19)24-17)12-2-1-3-14(22-12)23-16(25)11-5-4-10(6-21-11)15(20)27;3-2(4,5)1(6)7/h1-6H,7-9H2,(H2,19,24)(H2,20,27)(H,22,23,25);(H,6,7)
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n/an/a 8.70E+3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM279665
PNG
(US10035794, Example 9)
Show SMILES C[C@@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cccc(NC(=O)c2ccc(cn2)C#N)n1
Show InChI InChI=1S/C19H17F3N6O2/c1-17(10-30-18(2,16(24)28-17)19(20,21)22)13-4-3-5-14(26-13)27-15(29)12-7-6-11(8-23)9-25-12/h3-7,9H,10H2,1-2H3,(H2,24,28)(H,26,27,29)/t17-,18-/m1/s1
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n/an/a 9.90E+3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM116268
PNG
(US10035794, Example 45 | US8637508, 45)
Show SMILES C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1nc(NC(=O)c2nc3ccn(CC(F)F)c3nc2N)ccc1F
Show InChI InChI=1S/C21H20F6N8O2/c1-19(8-37-20(2,18(29)34-19)21(25,26)27)14-9(22)3-4-12(31-14)32-17(36)13-15(28)33-16-10(30-13)5-6-35(16)7-11(23)24/h3-6,11H,7-8H2,1-2H3,(H2,28,33)(H2,29,34)(H,31,32,36)/t19-,20+/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Recombinant BACE-1 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM116268
PNG
(US10035794, Example 45 | US8637508, 45)
Show SMILES C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1nc(NC(=O)c2nc3ccn(CC(F)F)c3nc2N)ccc1F
Show InChI InChI=1S/C21H20F6N8O2/c1-19(8-37-20(2,18(29)34-19)21(25,26)27)14-9(22)3-4-12(31-14)32-17(36)13-15(28)33-16-10(30-13)5-6-35(16)7-11(23)24/h3-6,11H,7-8H2,1-2H3,(H2,28,33)(H2,29,34)(H,31,32,36)/t19-,20+/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM279671
PNG
(US10035794, Example 15)
Show SMILES Cc1cc(cnc1C(=O)Nc1cc(ccn1)C1(CF)COCC([NH3+])=N1)C(N)=S
Show InChI InChI=1S/C18H19FN6O2S/c1-10-4-11(16(21)28)6-23-15(10)17(26)24-14-5-12(2-3-22-14)18(8-19)9-27-7-13(20)25-18/h2-6H,7-9H2,1H3,(H2,20,25)(H2,21,28)(H,22,24,26)/p+1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM116266
PNG
(US10035794, Example 43 | US8637508, 43)
Show SMILES COCCn1ccc2nc(C(=O)Nc3ccc(F)c(n3)[C@]3(C)CO[C@](C)(C(N)=N3)C(F)(F)F)c(N)nc12
Show InChI InChI=1S/C22H24F4N8O3/c1-20(10-37-21(2,19(28)33-20)22(24,25)26)15-11(23)4-5-13(30-15)31-18(35)14-16(27)32-17-12(29-14)6-7-34(17)8-9-36-3/h4-7H,8-10H2,1-3H3,(H2,27,32)(H2,28,33)(H,30,31,35)/t20-,21+/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM279671
PNG
(US10035794, Example 15)
Show SMILES Cc1cc(cnc1C(=O)Nc1cc(ccn1)C1(CF)COCC([NH3+])=N1)C(N)=S
Show InChI InChI=1S/C18H19FN6O2S/c1-10-4-11(16(21)28)6-23-15(10)17(26)24-14-5-12(2-3-22-14)18(8-19)9-27-7-13(20)25-18/h2-6H,7-9H2,1H3,(H2,20,25)(H2,21,28)(H,22,24,26)/p+1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Recombinant BACE-1 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM116270
PNG
(US10035794, Example 47 | US8637508, 47)
Show SMILES C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1nc(NC(=O)c2nc3ccn(CC(F)F)c3cc2Cl)ccc1F
Show InChI InChI=1S/C22H19ClF6N6O2/c1-20(9-37-21(2,19(30)34-20)22(27,28)29)17-11(24)3-4-15(32-17)33-18(36)16-10(23)7-13-12(31-16)5-6-35(13)8-14(25)26/h3-7,14H,8-9H2,1-2H3,(H2,30,34)(H,32,33,36)/t20-,21+/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Recombinant BACE-1 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM116246
PNG
(US10035794, Example 23 | US8637508, 23)
Show SMILES C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cccc(NC(=O)c2ncc(OCC(F)(F)F)nc2N)n1
Show InChI InChI=1S/C19H19F6N7O3/c1-16(7-35-17(2,15(27)32-16)19(23,24)25)9-4-3-5-10(29-9)30-14(33)12-13(26)31-11(6-28-12)34-8-18(20,21)22/h3-6H,7-8H2,1-2H3,(H2,26,31)(H2,27,32)(H,29,30,33)/t16-,17+/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM116271
PNG
(US10035794, Example 48 | US8637508, 48)
Show SMILES COCCn1ccc2nc(C(=O)Nc3ccc(F)c(n3)[C@]3(C)CO[C@](C)(C(N)=N3)C(F)(F)F)c(Cl)cc12
Show InChI InChI=1S/C23H23ClF4N6O3/c1-21(11-37-22(2,20(29)33-21)23(26,27)28)18-13(25)4-5-16(31-18)32-19(35)17-12(24)10-15-14(30-17)6-7-34(15)8-9-36-3/h4-7,10H,8-9,11H2,1-3H3,(H2,29,33)(H,31,32,35)/t21-,22+/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...


US Patent US10035794 (2018)

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