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Patent code US9163011

Compile Data Set for Download or QSAR
Found 106 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))
BDBM186055
PNG
(US9163011, 9)
Show SMILES C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(Cl)cc2Cl)ccc1F |r,t:2|
Show InChI InChI=1S/C16H12Cl2F3N5O2/c1-15(16(20,21)6-28-14(22)26-15)12-9(19)2-3-10(24-12)25-13(27)11-8(18)4-7(17)5-23-11/h2-5H,6H2,1H3,(H2,22,26)(H,24,25,27)/t15-/m1/s1
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n/an/a 4n/an/an/an/a4.525



NOVARTIS AG

US Patent


Assay Description
Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 1 nM concentrations is incubated wi...


US Patent US9163011 (2015)


BindingDB Entry DOI: 10.7270/Q2Z60MV1
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM186075
PNG
(US9163011, 30)
Show SMILES C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2nn(cc2Cl)C(F)F)ccc1F |r,t:2|
Show InChI InChI=1S/C15H12ClF5N6O2/c1-14(15(20,21)5-29-13(22)25-14)10-7(17)2-3-8(23-10)24-11(28)9-6(16)4-27(26-9)12(18)19/h2-4,12H,5H2,1H3,(H2,22,25)(H,23,24,28)/t14-/m1/s1
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US Patent
n/an/a 7n/an/an/an/a4.525



NOVARTIS AG

US Patent


Assay Description
Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 1 nM concentrations is incubated wi...


US Patent US9163011 (2015)


BindingDB Entry DOI: 10.7270/Q2Z60MV1
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM186047
PNG
(US9163011, 1)
Show SMILES Cc1cc(cnc1C(=O)Nc1ccc(F)c(n1)[C@@]1(C)N=C(N)OCC1(F)F)C#N |r,t:21|
Show InChI InChI=1S/C18H15F3N6O2/c1-9-5-10(6-22)7-24-13(9)15(28)26-12-4-3-11(19)14(25-12)17(2)18(20,21)8-29-16(23)27-17/h3-5,7H,8H2,1-2H3,(H2,23,27)(H,25,26,28)/t17-/m1/s1
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n/an/a 7n/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 US9163011 (2015)


BindingDB Entry DOI: 10.7270/Q2Z60MV1
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM186049
PNG
(US9163011, 3)
Show SMILES CC1(C)OC(N)=N[C@](C)(c2nc(NC(=O)c3ncc(cc3Cl)C#N)ccc2F)C1(F)F |r,c:5|
Show InChI InChI=1S/C19H16ClF3N6O2/c1-17(2)19(22,23)18(3,29-16(25)31-17)14-11(21)4-5-12(27-14)28-15(30)13-10(20)6-9(7-24)8-26-13/h4-6,8H,1-3H3,(H2,25,29)(H,27,28,30)/t18-/m1/s1
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n/an/a 7n/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 US9163011 (2015)


BindingDB Entry DOI: 10.7270/Q2Z60MV1
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM186048
PNG
(US9163011, 2)
Show SMILES C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(cc2Cl)C#N)ccc1F |r,t:2|
Show InChI InChI=1S/C17H12ClF3N6O2/c1-16(17(20,21)7-29-15(23)27-16)13-10(19)2-3-11(25-13)26-14(28)12-9(18)4-8(5-22)6-24-12/h2-4,6H,7H2,1H3,(H2,23,27)(H,25,26,28)/t16-/m1/s1
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n/an/a 8n/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 US9163011 (2015)


BindingDB Entry DOI: 10.7270/Q2Z60MV1
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM186048
PNG
(US9163011, 2)
Show SMILES C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(cc2Cl)C#N)ccc1F |r,t:2|
Show InChI InChI=1S/C17H12ClF3N6O2/c1-16(17(20,21)7-29-15(23)27-16)13-10(19)2-3-11(25-13)26-14(28)12-9(18)4-8(5-22)6-24-12/h2-4,6H,7H2,1H3,(H2,23,27)(H,25,26,28)/t16-/m1/s1
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n/an/a 12n/an/an/an/a4.525



NOVARTIS AG

US Patent


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


US Patent US9163011 (2015)


BindingDB Entry DOI: 10.7270/Q2Z60MV1
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM186055
PNG
(US9163011, 9)
Show SMILES C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(Cl)cc2Cl)ccc1F |r,t:2|
Show InChI InChI=1S/C16H12Cl2F3N5O2/c1-15(16(20,21)6-28-14(22)26-15)12-9(19)2-3-10(24-12)25-13(27)11-8(18)4-7(17)5-23-11/h2-5H,6H2,1H3,(H2,22,26)(H,24,25,27)/t15-/m1/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 US9163011 (2015)


BindingDB Entry DOI: 10.7270/Q2Z60MV1
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM186047
PNG
(US9163011, 1)
Show SMILES Cc1cc(cnc1C(=O)Nc1ccc(F)c(n1)[C@@]1(C)N=C(N)OCC1(F)F)C#N |r,t:21|
Show InChI InChI=1S/C18H15F3N6O2/c1-9-5-10(6-22)7-24-13(9)15(28)26-12-4-3-11(19)14(25-12)17(2)18(20,21)8-29-16(23)27-17/h3-5,7H,8H2,1-2H3,(H2,23,27)(H,25,26,28)/t17-/m1/s1
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n/an/a 12n/an/an/an/a4.525



NOVARTIS AG

US Patent


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


US Patent US9163011 (2015)


BindingDB Entry DOI: 10.7270/Q2Z60MV1
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM186075
PNG
(US9163011, 30)
Show SMILES C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2nn(cc2Cl)C(F)F)ccc1F |r,t:2|
Show InChI InChI=1S/C15H12ClF5N6O2/c1-14(15(20,21)5-29-13(22)25-14)10-7(17)2-3-8(23-10)24-11(28)9-6(16)4-27(26-9)12(18)19/h2-4,12H,5H2,1H3,(H2,22,25)(H,23,24,28)/t14-/m1/s1
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n/an/a 13n/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 US9163011 (2015)


BindingDB Entry DOI: 10.7270/Q2Z60MV1
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM186080
PNG
(US9163011, 35)
Show SMILES C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,t:2|
Show InChI InChI=1S/C17H13F3N6O2/c1-16(17(19,20)8-28-15(22)26-16)13-10(18)3-5-12(24-13)25-14(27)11-4-2-9(6-21)7-23-11/h2-5,7H,8H2,1H3,(H2,22,26)(H,24,25,27)/t16-/m1/s1
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n/an/a 14n/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 US9163011 (2015)


BindingDB Entry DOI: 10.7270/Q2Z60MV1
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM186055
PNG
(US9163011, 9)
Show SMILES C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(Cl)cc2Cl)ccc1F |r,t:2|
Show InChI InChI=1S/C16H12Cl2F3N5O2/c1-15(16(20,21)6-28-14(22)26-15)12-9(19)2-3-10(24-12)25-13(27)11-8(18)4-7(17)5-23-11/h2-5H,6H2,1H3,(H2,22,26)(H,24,25,27)/t15-/m1/s1
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n/an/a 18n/an/an/an/a4.525



NOVARTIS AG

US Patent


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


US Patent US9163011 (2015)


BindingDB Entry DOI: 10.7270/Q2Z60MV1
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM186077
PNG
(US9163011, 32)
Show SMILES C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(cc2Cl)C#CCO)ccc1F |r,t:2|
Show InChI InChI=1S/C19H15ClF3N5O3/c1-18(19(22,23)9-31-17(24)28-18)15-12(21)4-5-13(26-15)27-16(30)14-11(20)7-10(8-25-14)3-2-6-29/h4-5,7-8,29H,6,9H2,1H3,(H2,24,28)(H,26,27,30)/t18-/m1/s1
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n/an/a 19n/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 US9163011 (2015)


BindingDB Entry DOI: 10.7270/Q2Z60MV1
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM186075
PNG
(US9163011, 30)
Show SMILES C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2nn(cc2Cl)C(F)F)ccc1F |r,t:2|
Show InChI InChI=1S/C15H12ClF5N6O2/c1-14(15(20,21)5-29-13(22)25-14)10-7(17)2-3-8(23-10)24-11(28)9-6(16)4-27(26-9)12(18)19/h2-4,12H,5H2,1H3,(H2,22,25)(H,23,24,28)/t14-/m1/s1
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n/an/a 19n/an/an/an/a4.525



NOVARTIS AG

US Patent


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


US Patent US9163011 (2015)


BindingDB Entry DOI: 10.7270/Q2Z60MV1
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM186072
PNG
(US9163011, 26)
Show SMILES C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(OCF)cc2Cl)ccc1F |r,t:2|
Show InChI InChI=1S/C17H14ClF4N5O3/c1-16(17(21,22)6-29-15(23)27-16)13-10(20)2-3-11(25-13)26-14(28)12-9(18)4-8(5-24-12)30-7-19/h2-5H,6-7H2,1H3,(H2,23,27)(H,25,26,28)/t16-/m1/s1
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n/an/a 27n/an/an/an/a4.525



NOVARTIS AG

US Patent


Assay Description
Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 1 nM concentrations is incubated wi...


US Patent US9163011 (2015)


BindingDB Entry DOI: 10.7270/Q2Z60MV1
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM186053
PNG
(US9163011, 7)
Show SMILES C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(cc2Cl)C(F)(F)F)ccc1F |r,t:2|
Show InChI InChI=1S/C17H12ClF6N5O2/c1-15(16(20,21)6-31-14(25)29-15)12-9(19)2-3-10(27-12)28-13(30)11-8(18)4-7(5-26-11)17(22,23)24/h2-5H,6H2,1H3,(H2,25,29)(H,27,28,30)/t15-/m1/s1
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n/an/a 27n/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 US9163011 (2015)


BindingDB Entry DOI: 10.7270/Q2Z60MV1
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM186049
PNG
(US9163011, 3)
Show SMILES CC1(C)OC(N)=N[C@](C)(c2nc(NC(=O)c3ncc(cc3Cl)C#N)ccc2F)C1(F)F |r,c:5|
Show InChI InChI=1S/C19H16ClF3N6O2/c1-17(2)19(22,23)18(3,29-16(25)31-17)14-11(21)4-5-12(27-14)28-15(30)13-10(20)6-9(7-24)8-26-13/h4-6,8H,1-3H3,(H2,25,29)(H,27,28,30)/t18-/m1/s1
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n/an/a 29n/an/an/an/a4.525



NOVARTIS AG

US Patent


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


US Patent US9163011 (2015)


BindingDB Entry DOI: 10.7270/Q2Z60MV1
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM186061
PNG
(US9163011, 15)
Show SMILES C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(OCF)nc2N)ccc1F |r,t:2|
Show InChI InChI=1S/C16H15F4N7O3/c1-15(16(19,20)5-29-14(22)27-15)11-7(18)2-3-8(24-11)25-13(28)10-12(21)26-9(4-23-10)30-6-17/h2-4H,5-6H2,1H3,(H2,21,26)(H2,22,27)(H,24,25,28)/t15-/m1/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 US9163011 (2015)


BindingDB Entry DOI: 10.7270/Q2Z60MV1
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM186053
PNG
(US9163011, 7)
Show SMILES C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(cc2Cl)C(F)(F)F)ccc1F |r,t:2|
Show InChI InChI=1S/C17H12ClF6N5O2/c1-15(16(20,21)6-31-14(25)29-15)12-9(19)2-3-10(27-12)28-13(30)11-8(18)4-7(5-26-11)17(22,23)24/h2-5H,6H2,1H3,(H2,25,29)(H,27,28,30)/t15-/m1/s1
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n/an/a 35n/an/an/an/a4.525



NOVARTIS AG

US Patent


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


US Patent US9163011 (2015)


BindingDB Entry DOI: 10.7270/Q2Z60MV1
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM186065
PNG
(US9163011, 19)
Show SMILES C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(Cl)cc2N)ccc1F |r,t:2|
Show InChI InChI=1S/C16H14ClF3N6O2/c1-15(16(19,20)6-28-14(22)26-15)12-8(18)2-3-10(24-12)25-13(27)11-9(21)4-7(17)5-23-11/h2-5H,6,21H2,1H3,(H2,22,26)(H,24,25,27)/t15-/m1/s1
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n/an/a 45n/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 US9163011 (2015)


BindingDB Entry DOI: 10.7270/Q2Z60MV1
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM186065
PNG
(US9163011, 19)
Show SMILES C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(Cl)cc2N)ccc1F |r,t:2|
Show InChI InChI=1S/C16H14ClF3N6O2/c1-15(16(19,20)6-28-14(22)26-15)12-8(18)2-3-10(24-12)25-13(27)11-9(21)4-7(17)5-23-11/h2-5H,6,21H2,1H3,(H2,22,26)(H,24,25,27)/t15-/m1/s1
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n/an/a 48n/an/an/an/a4.525



NOVARTIS AG

US Patent


Assay Description
Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 1 nM concentrations is incubated wi...


US Patent US9163011 (2015)


BindingDB Entry DOI: 10.7270/Q2Z60MV1
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM186050
PNG
(US9163011, 4)
Show SMILES COCC[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(cc2C)C#N)ccc1F |r,t:5|
Show InChI InChI=1S/C20H19F3N6O3/c1-11-7-12(8-24)9-26-15(11)17(30)28-14-4-3-13(21)16(27-14)19(5-6-31-2)20(22,23)10-32-18(25)29-19/h3-4,7,9H,5-6,10H2,1-2H3,(H2,25,29)(H,27,28,30)/t19-/m1/s1
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n/an/a 49n/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 US9163011 (2015)


BindingDB Entry DOI: 10.7270/Q2Z60MV1
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM186080
PNG
(US9163011, 35)
Show SMILES C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,t:2|
Show InChI InChI=1S/C17H13F3N6O2/c1-16(17(19,20)8-28-15(22)26-16)13-10(18)3-5-12(24-13)25-14(27)11-4-2-9(6-21)7-23-11/h2-5,7H,8H2,1H3,(H2,22,26)(H,24,25,27)/t16-/m1/s1
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n/an/a 54n/an/an/an/a4.525



NOVARTIS AG

US Patent


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


US Patent US9163011 (2015)


BindingDB Entry DOI: 10.7270/Q2Z60MV1
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM186072
PNG
(US9163011, 26)
Show SMILES C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(OCF)cc2Cl)ccc1F |r,t:2|
Show InChI InChI=1S/C17H14ClF4N5O3/c1-16(17(21,22)6-29-15(23)27-16)13-10(20)2-3-11(25-13)26-14(28)12-9(18)4-8(5-24-12)30-7-19/h2-5H,6-7H2,1H3,(H2,23,27)(H,25,26,28)/t16-/m1/s1
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n/an/a 57n/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 US9163011 (2015)


BindingDB Entry DOI: 10.7270/Q2Z60MV1
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM186081
PNG
(US9163011, 36)
Show SMILES CC(F)(F)c1cnc(C(=O)Nc2ccc(F)c(n2)[C@@]2(C)N=C(N)OCC2(F)F)c(Cl)c1 |r,t:21|
Show InChI InChI=1S/C18H15ClF5N5O2/c1-16(18(23,24)7-31-15(25)29-16)13-10(20)3-4-11(27-13)28-14(30)12-9(19)5-8(6-26-12)17(2,21)22/h3-6H,7H2,1-2H3,(H2,25,29)(H,27,28,30)/t16-/m1/s1
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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 US9163011 (2015)


BindingDB Entry DOI: 10.7270/Q2Z60MV1
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM186065
PNG
(US9163011, 19)
Show SMILES C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(Cl)cc2N)ccc1F |r,t:2|
Show InChI InChI=1S/C16H14ClF3N6O2/c1-15(16(19,20)6-28-14(22)26-15)12-8(18)2-3-10(24-12)25-13(27)11-9(21)4-7(17)5-23-11/h2-5H,6,21H2,1H3,(H2,22,26)(H,24,25,27)/t15-/m1/s1
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n/an/a 60n/an/an/an/a4.525



NOVARTIS AG

US Patent


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


US Patent US9163011 (2015)


BindingDB Entry DOI: 10.7270/Q2Z60MV1
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM186068
PNG
(US9163011, 22)
Show SMILES C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(nc2N)C(F)F)ccc1F |r,t:2|
Show InChI InChI=1S/C16H14F5N7O2/c1-15(16(20,21)5-30-14(23)28-15)10-6(17)2-3-8(26-10)27-13(29)9-12(22)25-7(4-24-9)11(18)19/h2-4,11H,5H2,1H3,(H2,22,25)(H2,23,28)(H,26,27,29)/t15-/m1/s1
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n/an/a 60n/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 US9163011 (2015)


BindingDB Entry DOI: 10.7270/Q2Z60MV1
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM186077
PNG
(US9163011, 32)
Show SMILES C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(cc2Cl)C#CCO)ccc1F |r,t:2|
Show InChI InChI=1S/C19H15ClF3N5O3/c1-18(19(22,23)9-31-17(24)28-18)15-12(21)4-5-13(26-15)27-16(30)14-11(20)7-10(8-25-14)3-2-6-29/h4-5,7-8,29H,6,9H2,1H3,(H2,24,28)(H,26,27,30)/t18-/m1/s1
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n/an/a 60n/an/an/an/a4.525



NOVARTIS AG

US Patent


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


US Patent US9163011 (2015)


BindingDB Entry DOI: 10.7270/Q2Z60MV1
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM186063
PNG
(US9163011, 17)
Show SMILES C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(cc2N)C#CCO)ccc1F |r,t:2|
Show InChI InChI=1S/C19H17F3N6O3/c1-18(19(21,22)9-31-17(24)28-18)15-11(20)4-5-13(26-15)27-16(30)14-12(23)7-10(8-25-14)3-2-6-29/h4-5,7-8,29H,6,9,23H2,1H3,(H2,24,28)(H,26,27,30)/t18-/m1/s1
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n/an/a 62n/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 US9163011 (2015)


BindingDB Entry DOI: 10.7270/Q2Z60MV1
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM186082
PNG
(US9163011, 37)
Show SMILES CC(F)(F)c1cnc(C(=O)Nc2ccc(F)c(n2)[C@@]2(C)N=C(N)OCC2(F)F)c(N)n1 |r,t:21|
Show InChI InChI=1S/C17H16F5N7O2/c1-15(17(21,22)6-31-14(24)29-15)11-7(18)3-4-9(27-11)28-13(30)10-12(23)26-8(5-25-10)16(2,19)20/h3-5H,6H2,1-2H3,(H2,23,26)(H2,24,29)(H,27,28,30)/t15-/m1/s1
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n/an/a 64n/an/an/an/a4.525



NOVARTIS AG

US Patent


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


US Patent US9163011 (2015)


BindingDB Entry DOI: 10.7270/Q2Z60MV1
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM186078
PNG
(US9163011, 33)
Show SMILES C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(cc2N)C(F)F)ccc1F |r,t:2|
Show InChI InChI=1S/C17H15F5N6O2/c1-16(17(21,22)6-30-15(24)28-16)12-8(18)2-3-10(26-12)27-14(29)11-9(23)4-7(5-25-11)13(19)20/h2-5,13H,6,23H2,1H3,(H2,24,28)(H,26,27,29)/t16-/m1/s1
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n/an/a 66n/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 US9163011 (2015)


BindingDB Entry DOI: 10.7270/Q2Z60MV1
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM186047
PNG
(US9163011, 1)
Show SMILES Cc1cc(cnc1C(=O)Nc1ccc(F)c(n1)[C@@]1(C)N=C(N)OCC1(F)F)C#N |r,t:21|
Show InChI InChI=1S/C18H15F3N6O2/c1-9-5-10(6-22)7-24-13(9)15(28)26-12-4-3-11(19)14(25-12)17(2)18(20,21)8-29-16(23)27-17/h3-5,7H,8H2,1-2H3,(H2,23,27)(H,25,26,28)/t17-/m1/s1
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n/an/a 66n/an/an/an/a4.525



NOVARTIS AG

US Patent


Assay Description
Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 1 nM concentrations is incubated wi...


US Patent US9163011 (2015)


BindingDB Entry DOI: 10.7270/Q2Z60MV1
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM186074
PNG
(US9163011, 29)
Show SMILES COCCc1cnc(C(=O)Nc2ccc(F)c(n2)[C@@]2(C)N=C(N)OCC2(F)F)c(N)n1 |r,t:21|
Show InChI InChI=1S/C18H20F3N7O3/c1-17(18(20,21)8-31-16(23)28-17)13-10(19)3-4-11(26-13)27-15(29)12-14(22)25-9(7-24-12)5-6-30-2/h3-4,7H,5-6,8H2,1-2H3,(H2,22,25)(H2,23,28)(H,26,27,29)/t17-/m1/s1
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n/an/a 70n/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 US9163011 (2015)


BindingDB Entry DOI: 10.7270/Q2Z60MV1
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM186048
PNG
(US9163011, 2)
Show SMILES C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(cc2Cl)C#N)ccc1F |r,t:2|
Show InChI InChI=1S/C17H12ClF3N6O2/c1-16(17(20,21)7-29-15(23)27-16)13-10(19)2-3-11(25-13)26-14(28)12-9(18)4-8(5-22)6-24-12/h2-4,6H,7H2,1H3,(H2,23,27)(H,25,26,28)/t16-/m1/s1
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n/an/a 71n/an/an/an/a4.525



NOVARTIS AG

US Patent


Assay Description
Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 1 nM concentrations is incubated wi...


US Patent US9163011 (2015)


BindingDB Entry DOI: 10.7270/Q2Z60MV1
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM186067
PNG
(US9163011, 21)
Show SMILES COCC#Cc1cnc(C(=O)Nc2ccc(F)c(n2)[C@@]2(C)N=C(N)OCC2(F)F)c(Cl)c1 |r,t:22|
Show InChI InChI=1S/C20H17ClF3N5O3/c1-19(20(23,24)10-32-18(25)29-19)16-13(22)5-6-14(27-16)28-17(30)15-12(21)8-11(9-26-15)4-3-7-31-2/h5-6,8-9H,7,10H2,1-2H3,(H2,25,29)(H,27,28,30)/t19-/m1/s1
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n/an/a 81n/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 US9163011 (2015)


BindingDB Entry DOI: 10.7270/Q2Z60MV1
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM186059
PNG
(US9163011, 13)
Show SMILES COc1cnc(C(=O)Nc2ccc(F)c(n2)[C@@]2(C)N=C(N)OCC2(F)F)c(C)c1 |r,t:19|
Show InChI InChI=1S/C18H18F3N5O3/c1-9-6-10(28-3)7-23-13(9)15(27)25-12-5-4-11(19)14(24-12)17(2)18(20,21)8-29-16(22)26-17/h4-7H,8H2,1-3H3,(H2,22,26)(H,24,25,27)/t17-/m1/s1
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n/an/a 82n/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 US9163011 (2015)


BindingDB Entry DOI: 10.7270/Q2Z60MV1
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM186067
PNG
(US9163011, 21)
Show SMILES COCC#Cc1cnc(C(=O)Nc2ccc(F)c(n2)[C@@]2(C)N=C(N)OCC2(F)F)c(Cl)c1 |r,t:22|
Show InChI InChI=1S/C20H17ClF3N5O3/c1-19(20(23,24)10-32-18(25)29-19)16-13(22)5-6-14(27-16)28-17(30)15-12(21)8-11(9-26-15)4-3-7-31-2/h5-6,8-9H,7,10H2,1-2H3,(H2,25,29)(H,27,28,30)/t19-/m1/s1
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n/an/a 83n/an/an/an/a4.525



NOVARTIS AG

US Patent


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


US Patent US9163011 (2015)


BindingDB Entry DOI: 10.7270/Q2Z60MV1
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM186066
PNG
(US9163011, 20)
Show SMILES C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncccc2Cl)ccc1F |r,t:2|
Show InChI InChI=1S/C16H13ClF3N5O2/c1-15(16(19,20)7-27-14(21)25-15)12-9(18)4-5-10(23-12)24-13(26)11-8(17)3-2-6-22-11/h2-6H,7H2,1H3,(H2,21,25)(H,23,24,26)/t15-/m1/s1
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n/an/a 88n/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 US9163011 (2015)


BindingDB Entry DOI: 10.7270/Q2Z60MV1
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM186064
PNG
(US9163011, 18)
Show SMILES C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(F)cc2N)ccc1F |r,t:2|
Show InChI InChI=1S/C16H14F4N6O2/c1-15(16(19,20)6-28-14(22)26-15)12-8(18)2-3-10(24-12)25-13(27)11-9(21)4-7(17)5-23-11/h2-5H,6,21H2,1H3,(H2,22,26)(H,24,25,27)/t15-/m1/s1
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n/an/a 88n/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 US9163011 (2015)


BindingDB Entry DOI: 10.7270/Q2Z60MV1
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM186059
PNG
(US9163011, 13)
Show SMILES COc1cnc(C(=O)Nc2ccc(F)c(n2)[C@@]2(C)N=C(N)OCC2(F)F)c(C)c1 |r,t:19|
Show InChI InChI=1S/C18H18F3N5O3/c1-9-6-10(28-3)7-23-13(9)15(27)25-12-5-4-11(19)14(24-12)17(2)18(20,21)8-29-16(22)26-17/h4-7H,8H2,1-3H3,(H2,22,26)(H,24,25,27)/t17-/m1/s1
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n/an/a 93n/an/an/an/a4.525



NOVARTIS AG

US Patent


Assay Description
Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 1 nM concentrations is incubated wi...


US Patent US9163011 (2015)


BindingDB Entry DOI: 10.7270/Q2Z60MV1
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM186066
PNG
(US9163011, 20)
Show SMILES C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncccc2Cl)ccc1F |r,t:2|
Show InChI InChI=1S/C16H13ClF3N5O2/c1-15(16(19,20)7-27-14(21)25-15)12-9(18)4-5-10(23-12)24-13(26)11-8(17)3-2-6-22-11/h2-6H,7H2,1H3,(H2,21,25)(H,23,24,26)/t15-/m1/s1
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n/an/a 95n/an/an/an/a4.525



NOVARTIS AG

US Patent


Assay Description
Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 1 nM concentrations is incubated wi...


US Patent US9163011 (2015)


BindingDB Entry DOI: 10.7270/Q2Z60MV1
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM186050
PNG
(US9163011, 4)
Show SMILES COCC[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(cc2C)C#N)ccc1F |r,t:5|
Show InChI InChI=1S/C20H19F3N6O3/c1-11-7-12(8-24)9-26-15(11)17(30)28-14-4-3-13(21)16(27-14)19(5-6-31-2)20(22,23)10-32-18(25)29-19/h3-4,7,9H,5-6,10H2,1-2H3,(H2,25,29)(H,27,28,30)/t19-/m1/s1
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n/an/a 100n/an/an/an/a4.525



NOVARTIS AG

US Patent


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


US Patent US9163011 (2015)


BindingDB Entry DOI: 10.7270/Q2Z60MV1
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM186061
PNG
(US9163011, 15)
Show SMILES C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(OCF)nc2N)ccc1F |r,t:2|
Show InChI InChI=1S/C16H15F4N7O3/c1-15(16(19,20)5-29-14(22)27-15)11-7(18)2-3-8(24-11)25-13(28)10-12(21)26-9(4-23-10)30-6-17/h2-4H,5-6H2,1H3,(H2,21,26)(H2,22,27)(H,24,25,28)/t15-/m1/s1
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n/an/a 110n/an/an/an/a4.525



NOVARTIS AG

US Patent


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


US Patent US9163011 (2015)


BindingDB Entry DOI: 10.7270/Q2Z60MV1
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM186072
PNG
(US9163011, 26)
Show SMILES C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(OCF)cc2Cl)ccc1F |r,t:2|
Show InChI InChI=1S/C17H14ClF4N5O3/c1-16(17(21,22)6-29-15(23)27-16)13-10(20)2-3-11(25-13)26-14(28)12-9(18)4-8(5-24-12)30-7-19/h2-5H,6-7H2,1H3,(H2,23,27)(H,25,26,28)/t16-/m1/s1
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n/an/a 110n/an/an/an/a4.525



NOVARTIS AG

US Patent


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


US Patent US9163011 (2015)


BindingDB Entry DOI: 10.7270/Q2Z60MV1
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM186064
PNG
(US9163011, 18)
Show SMILES C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(F)cc2N)ccc1F |r,t:2|
Show InChI InChI=1S/C16H14F4N6O2/c1-15(16(19,20)6-28-14(22)26-15)12-8(18)2-3-10(24-12)25-13(27)11-9(21)4-7(17)5-23-11/h2-5H,6,21H2,1H3,(H2,22,26)(H,24,25,27)/t15-/m1/s1
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n/an/a 120n/an/an/an/a4.525



NOVARTIS AG

US Patent


Assay Description
Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 1 nM concentrations is incubated wi...


US Patent US9163011 (2015)


BindingDB Entry DOI: 10.7270/Q2Z60MV1
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM186062
PNG
(US9163011, 16)
Show SMILES COCCOc1cnc(C(=O)Nc2ccc(F)c(n2)[C@@]2(C)N=C(N)OCC2(F)F)c(N)n1 |r,t:22|
Show InChI InChI=1S/C18H20F3N7O4/c1-17(18(20,21)8-32-16(23)28-17)13-9(19)3-4-10(25-13)26-15(29)12-14(22)27-11(7-24-12)31-6-5-30-2/h3-4,7H,5-6,8H2,1-2H3,(H2,22,27)(H2,23,28)(H,25,26,29)/t17-/m1/s1
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n/an/a 120n/an/an/an/a4.525



NOVARTIS AG

US Patent


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


US Patent US9163011 (2015)


BindingDB Entry DOI: 10.7270/Q2Z60MV1
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM186078
PNG
(US9163011, 33)
Show SMILES C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(cc2N)C(F)F)ccc1F |r,t:2|
Show InChI InChI=1S/C17H15F5N6O2/c1-16(17(21,22)6-30-15(24)28-16)12-8(18)2-3-10(26-12)27-14(29)11-9(23)4-7(5-25-11)13(19)20/h2-5,13H,6,23H2,1H3,(H2,24,28)(H,26,27,29)/t16-/m1/s1
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n/an/a 140n/an/an/an/a4.525



NOVARTIS AG

US Patent


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


US Patent US9163011 (2015)


BindingDB Entry DOI: 10.7270/Q2Z60MV1
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM186049
PNG
(US9163011, 3)
Show SMILES CC1(C)OC(N)=N[C@](C)(c2nc(NC(=O)c3ncc(cc3Cl)C#N)ccc2F)C1(F)F |r,c:5|
Show InChI InChI=1S/C19H16ClF3N6O2/c1-17(2)19(22,23)18(3,29-16(25)31-17)14-11(21)4-5-12(27-14)28-15(30)13-10(20)6-9(7-24)8-26-13/h4-6,8H,1-3H3,(H2,25,29)(H,27,28,30)/t18-/m1/s1
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n/an/a 140n/an/an/an/a4.525



NOVARTIS AG

US Patent


Assay Description
Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 1 nM concentrations is incubated wi...


US Patent US9163011 (2015)


BindingDB Entry DOI: 10.7270/Q2Z60MV1
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM186054
PNG
(US9163011, 8)
Show SMILES C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(nc2N)C(F)(F)F)ccc1F |r,t:2|
Show InChI InChI=1S/C16H13F6N7O2/c1-14(15(18,19)5-31-13(24)29-14)10-6(17)2-3-8(27-10)28-12(30)9-11(23)26-7(4-25-9)16(20,21)22/h2-4H,5H2,1H3,(H2,23,26)(H2,24,29)(H,27,28,30)/t14-/m1/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 US9163011 (2015)


BindingDB Entry DOI: 10.7270/Q2Z60MV1
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM186074
PNG
(US9163011, 29)
Show SMILES COCCc1cnc(C(=O)Nc2ccc(F)c(n2)[C@@]2(C)N=C(N)OCC2(F)F)c(N)n1 |r,t:21|
Show InChI InChI=1S/C18H20F3N7O3/c1-17(18(20,21)8-31-16(23)28-17)13-10(19)3-4-11(26-13)27-15(29)12-14(22)25-9(7-24-12)5-6-30-2/h3-4,7H,5-6,8H2,1-2H3,(H2,22,25)(H2,23,28)(H,26,27,29)/t17-/m1/s1
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n/an/a 150n/an/an/an/a4.525



NOVARTIS AG

US Patent


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


US Patent US9163011 (2015)


BindingDB Entry DOI: 10.7270/Q2Z60MV1
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM186054
PNG
(US9163011, 8)
Show SMILES C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(nc2N)C(F)(F)F)ccc1F |r,t:2|
Show InChI InChI=1S/C16H13F6N7O2/c1-14(15(18,19)5-31-13(24)29-14)10-6(17)2-3-8(27-10)28-12(30)9-11(23)26-7(4-25-9)16(20,21)22/h2-4H,5H2,1H3,(H2,23,26)(H2,24,29)(H,27,28,30)/t14-/m1/s1
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n/an/a 160n/an/an/an/a4.525



NOVARTIS AG

US Patent


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


US Patent US9163011 (2015)


BindingDB Entry DOI: 10.7270/Q2Z60MV1
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM186076
PNG
(US9163011, 31)
Show SMILES C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2nccnc2N)ccc1F |r,t:2|
Show InChI InChI=1S/C15H14F3N7O2/c1-14(15(17,18)6-27-13(20)25-14)10-7(16)2-3-8(23-10)24-12(26)9-11(19)22-5-4-21-9/h2-5H,6H2,1H3,(H2,19,22)(H2,20,25)(H,23,24,26)/t14-/m1/s1
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n/an/a 180n/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 US9163011 (2015)


BindingDB Entry DOI: 10.7270/Q2Z60MV1
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM186068
PNG
(US9163011, 22)
Show SMILES C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(nc2N)C(F)F)ccc1F |r,t:2|
Show InChI InChI=1S/C16H14F5N7O2/c1-15(16(20,21)5-30-14(23)28-15)10-6(17)2-3-8(26-10)27-13(29)9-12(22)25-7(4-24-9)11(18)19/h2-4,11H,5H2,1H3,(H2,22,25)(H2,23,28)(H,26,27,29)/t15-/m1/s1
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n/an/a 190n/an/an/an/a4.525



NOVARTIS AG

US Patent


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


US Patent US9163011 (2015)


BindingDB Entry DOI: 10.7270/Q2Z60MV1
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM186063
PNG
(US9163011, 17)
Show SMILES C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(cc2N)C#CCO)ccc1F |r,t:2|
Show InChI InChI=1S/C19H17F3N6O3/c1-18(19(21,22)9-31-17(24)28-18)15-11(20)4-5-13(26-15)27-16(30)14-12(23)7-10(8-25-14)3-2-6-29/h4-5,7-8,29H,6,9,23H2,1H3,(H2,24,28)(H,26,27,30)/t18-/m1/s1
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n/an/a 240n/an/an/an/a4.525



NOVARTIS AG

US Patent


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


US Patent US9163011 (2015)


BindingDB Entry DOI: 10.7270/Q2Z60MV1
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM186070
PNG
(US9163011, 24)
Show SMILES C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(OCC(F)F)cc2Cl)ccc1F |r,t:2|
Show InChI InChI=1S/C18H15ClF5N5O3/c1-17(18(23,24)7-32-16(25)29-17)14-10(20)2-3-12(27-14)28-15(30)13-9(19)4-8(5-26-13)31-6-11(21)22/h2-5,11H,6-7H2,1H3,(H2,25,29)(H,27,28,30)/t17-/m1/s1
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n/an/a 240n/an/an/an/a4.525



NOVARTIS AG

US Patent


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


US Patent US9163011 (2015)


BindingDB Entry DOI: 10.7270/Q2Z60MV1
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM186070
PNG
(US9163011, 24)
Show SMILES C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(OCC(F)F)cc2Cl)ccc1F |r,t:2|
Show InChI InChI=1S/C18H15ClF5N5O3/c1-17(18(23,24)7-32-16(25)29-17)14-10(20)2-3-12(27-14)28-15(30)13-9(19)4-8(5-26-13)31-6-11(21)22/h2-5,11H,6-7H2,1H3,(H2,25,29)(H,27,28,30)/t17-/m1/s1
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n/an/a 250n/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 US9163011 (2015)


BindingDB Entry DOI: 10.7270/Q2Z60MV1
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM186080
PNG
(US9163011, 35)
Show SMILES C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,t:2|
Show InChI InChI=1S/C17H13F3N6O2/c1-16(17(19,20)8-28-15(22)26-16)13-10(18)3-5-12(24-13)25-14(27)11-4-2-9(6-21)7-23-11/h2-5,7H,8H2,1H3,(H2,22,26)(H,24,25,27)/t16-/m1/s1
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n/an/a 260n/an/an/an/a4.525



NOVARTIS AG

US Patent


Assay Description
Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 1 nM concentrations is incubated wi...


US Patent US9163011 (2015)


BindingDB Entry DOI: 10.7270/Q2Z60MV1
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM186078
PNG
(US9163011, 33)
Show SMILES C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(cc2N)C(F)F)ccc1F |r,t:2|
Show InChI InChI=1S/C17H15F5N6O2/c1-16(17(21,22)6-30-15(24)28-16)12-8(18)2-3-10(26-12)27-14(29)11-9(23)4-7(5-25-11)13(19)20/h2-5,13H,6,23H2,1H3,(H2,24,28)(H,26,27,29)/t16-/m1/s1
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n/an/a 260n/an/an/an/a4.525



NOVARTIS AG

US Patent


Assay Description
Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 1 nM concentrations is incubated wi...


US Patent US9163011 (2015)


BindingDB Entry DOI: 10.7270/Q2Z60MV1
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM186059
PNG
(US9163011, 13)
Show SMILES COc1cnc(C(=O)Nc2ccc(F)c(n2)[C@@]2(C)N=C(N)OCC2(F)F)c(C)c1 |r,t:19|
Show InChI InChI=1S/C18H18F3N5O3/c1-9-6-10(28-3)7-23-13(9)15(27)25-12-5-4-11(19)14(24-12)17(2)18(20,21)8-29-16(22)26-17/h4-7H,8H2,1-3H3,(H2,22,26)(H,24,25,27)/t17-/m1/s1
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n/an/a 270n/an/an/an/a4.525



NOVARTIS AG

US Patent


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


US Patent US9163011 (2015)


BindingDB Entry DOI: 10.7270/Q2Z60MV1
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM186073
PNG
(US9163011, 27)
Show SMILES CCOc1cnc(C(=O)Nc2ccc(F)c(n2)[C@@]2(C)N=C(N)OCC2(F)F)c(Cl)c1 |r,t:20|
Show InChI InChI=1S/C18H17ClF3N5O3/c1-3-29-9-6-10(19)13(24-7-9)15(28)26-12-5-4-11(20)14(25-12)17(2)18(21,22)8-30-16(23)27-17/h4-7H,3,8H2,1-2H3,(H2,23,27)(H,25,26,28)/t17-/m1/s1
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n/an/a 290n/an/an/an/a4.525



NOVARTIS AG

US Patent


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


US Patent US9163011 (2015)


BindingDB Entry DOI: 10.7270/Q2Z60MV1
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM186053
PNG
(US9163011, 7)
Show SMILES C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(cc2Cl)C(F)(F)F)ccc1F |r,t:2|
Show InChI InChI=1S/C17H12ClF6N5O2/c1-15(16(20,21)6-31-14(25)29-15)12-9(19)2-3-10(27-12)28-13(30)11-8(18)4-7(5-26-11)17(22,23)24/h2-5H,6H2,1H3,(H2,25,29)(H,27,28,30)/t15-/m1/s1
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n/an/a 290n/an/an/an/a4.525



NOVARTIS AG

US Patent


Assay Description
Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 1 nM concentrations is incubated wi...


US Patent US9163011 (2015)


BindingDB Entry DOI: 10.7270/Q2Z60MV1
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM186082
PNG
(US9163011, 37)
Show SMILES CC(F)(F)c1cnc(C(=O)Nc2ccc(F)c(n2)[C@@]2(C)N=C(N)OCC2(F)F)c(N)n1 |r,t:21|
Show InChI InChI=1S/C17H16F5N7O2/c1-15(17(21,22)6-31-14(24)29-15)11-7(18)3-4-9(27-11)28-13(30)10-12(23)26-8(5-25-10)16(2,19)20/h3-5H,6H2,1-2H3,(H2,23,26)(H2,24,29)(H,27,28,30)/t15-/m1/s1
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n/an/a 310n/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 US9163011 (2015)


BindingDB Entry DOI: 10.7270/Q2Z60MV1
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM186058
PNG
(US9163011, 12)
Show SMILES C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(OCCCF)nc2N)ccc1F |r,t:2|
Show InChI InChI=1S/C18H19F4N7O3/c1-17(18(21,22)8-32-16(24)29-17)13-9(20)3-4-10(26-13)27-15(30)12-14(23)28-11(7-25-12)31-6-2-5-19/h3-4,7H,2,5-6,8H2,1H3,(H2,23,28)(H2,24,29)(H,26,27,30)/t17-/m1/s1
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n/an/a 310n/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 US9163011 (2015)


BindingDB Entry DOI: 10.7270/Q2Z60MV1
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM186064
PNG
(US9163011, 18)
Show SMILES C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(F)cc2N)ccc1F |r,t:2|
Show InChI InChI=1S/C16H14F4N6O2/c1-15(16(19,20)6-28-14(22)26-15)12-8(18)2-3-10(24-12)25-13(27)11-9(21)4-7(17)5-23-11/h2-5H,6,21H2,1H3,(H2,22,26)(H,24,25,27)/t15-/m1/s1
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n/an/a 330n/an/an/an/a4.525



NOVARTIS AG

US Patent


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


US Patent US9163011 (2015)


BindingDB Entry DOI: 10.7270/Q2Z60MV1
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM186066
PNG
(US9163011, 20)
Show SMILES C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncccc2Cl)ccc1F |r,t:2|
Show InChI InChI=1S/C16H13ClF3N5O2/c1-15(16(19,20)7-27-14(21)25-15)12-9(18)4-5-10(23-12)24-13(26)11-8(17)3-2-6-22-11/h2-6H,7H2,1H3,(H2,21,25)(H,23,24,26)/t15-/m1/s1
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n/an/a 360n/an/an/an/a4.525



NOVARTIS AG

US Patent


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


US Patent US9163011 (2015)


BindingDB Entry DOI: 10.7270/Q2Z60MV1
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM186052
PNG
(US9163011, 6)
Show SMILES COCC[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(cc2Cl)C(F)(F)F)ccc1F |r,t:5|
Show InChI InChI=1S/C19H16ClF6N5O3/c1-33-5-4-17(18(22,23)8-34-16(27)31-17)14-11(21)2-3-12(29-14)30-15(32)13-10(20)6-9(7-28-13)19(24,25)26/h2-3,6-7H,4-5,8H2,1H3,(H2,27,31)(H,29,30,32)/t17-/m1/s1
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n/an/a 380n/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 US9163011 (2015)


BindingDB Entry DOI: 10.7270/Q2Z60MV1
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM186073
PNG
(US9163011, 27)
Show SMILES CCOc1cnc(C(=O)Nc2ccc(F)c(n2)[C@@]2(C)N=C(N)OCC2(F)F)c(Cl)c1 |r,t:20|
Show InChI InChI=1S/C18H17ClF3N5O3/c1-3-29-9-6-10(19)13(24-7-9)15(28)26-12-5-4-11(20)14(25-12)17(2)18(21,22)8-30-16(23)27-17/h4-7H,3,8H2,1-2H3,(H2,23,27)(H,25,26,28)/t17-/m1/s1
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n/an/a 420n/an/an/an/a4.525



NOVARTIS AG

US Patent


Assay Description
Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 1 nM concentrations is incubated wi...


US Patent US9163011 (2015)


BindingDB Entry DOI: 10.7270/Q2Z60MV1
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM186057
PNG
(US9163011, 11)
Show SMILES C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(OCC(F)F)nc2N)ccc1F |r,t:2|
Show InChI InChI=1S/C17H16F5N7O3/c1-16(17(21,22)6-32-15(24)29-16)12-7(18)2-3-9(26-12)27-14(30)11-13(23)28-10(4-25-11)31-5-8(19)20/h2-4,8H,5-6H2,1H3,(H2,23,28)(H2,24,29)(H,26,27,30)/t16-/m1/s1
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n/an/a 440n/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 US9163011 (2015)


BindingDB Entry DOI: 10.7270/Q2Z60MV1
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM186073
PNG
(US9163011, 27)
Show SMILES CCOc1cnc(C(=O)Nc2ccc(F)c(n2)[C@@]2(C)N=C(N)OCC2(F)F)c(Cl)c1 |r,t:20|
Show InChI InChI=1S/C18H17ClF3N5O3/c1-3-29-9-6-10(19)13(24-7-9)15(28)26-12-5-4-11(20)14(25-12)17(2)18(21,22)8-30-16(23)27-17/h4-7H,3,8H2,1-2H3,(H2,23,27)(H,25,26,28)/t17-/m1/s1
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n/an/a 450n/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 US9163011 (2015)


BindingDB Entry DOI: 10.7270/Q2Z60MV1
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM186071
PNG
(US9163011, 25)
Show SMILES C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(OCCF)nc2N)ccc1F |r,t:2|
Show InChI InChI=1S/C17H17F4N7O3/c1-16(17(20,21)7-31-15(23)28-16)12-8(19)2-3-9(25-12)26-14(29)11-13(22)27-10(6-24-11)30-5-4-18/h2-3,6H,4-5,7H2,1H3,(H2,22,27)(H2,23,28)(H,25,26,29)/t16-/m1/s1
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n/an/a 480n/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 US9163011 (2015)


BindingDB Entry DOI: 10.7270/Q2Z60MV1
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM186076
PNG
(US9163011, 31)
Show SMILES C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2nccnc2N)ccc1F |r,t:2|
Show InChI InChI=1S/C15H14F3N7O2/c1-14(15(17,18)6-27-13(20)25-14)10-7(16)2-3-8(23-10)24-12(26)9-11(19)22-5-4-21-9/h2-5H,6H2,1H3,(H2,19,22)(H2,20,25)(H,23,24,26)/t14-/m1/s1
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n/an/a 490n/an/an/an/a4.525



NOVARTIS AG

US Patent


Assay Description
Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 1 nM concentrations is incubated wi...


US Patent US9163011 (2015)


BindingDB Entry DOI: 10.7270/Q2Z60MV1
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM186076
PNG
(US9163011, 31)
Show SMILES C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2nccnc2N)ccc1F |r,t:2|
Show InChI InChI=1S/C15H14F3N7O2/c1-14(15(17,18)6-27-13(20)25-14)10-7(16)2-3-8(23-10)24-12(26)9-11(19)22-5-4-21-9/h2-5H,6H2,1H3,(H2,19,22)(H2,20,25)(H,23,24,26)/t14-/m1/s1
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n/an/a 540n/an/an/an/a4.525



NOVARTIS AG

US Patent


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


US Patent US9163011 (2015)


BindingDB Entry DOI: 10.7270/Q2Z60MV1
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM186060
PNG
(US9163011, 14)
Show SMILES COCC#Cc1cnc(C(=O)Nc2ccc(F)c(n2)[C@@]2(C)N=C(N)OCC2(F)F)c(N)c1 |r,t:22|
Show InChI InChI=1S/C20H19F3N6O3/c1-19(20(22,23)10-32-18(25)29-19)16-12(21)5-6-14(27-16)28-17(30)15-13(24)8-11(9-26-15)4-3-7-31-2/h5-6,8-9H,7,10,24H2,1-2H3,(H2,25,29)(H,27,28,30)/t19-/m1/s1
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n/an/a 540n/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 US9163011 (2015)


BindingDB Entry DOI: 10.7270/Q2Z60MV1
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM186071
PNG
(US9163011, 25)
Show SMILES C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(OCCF)nc2N)ccc1F |r,t:2|
Show InChI InChI=1S/C17H17F4N7O3/c1-16(17(20,21)7-31-15(23)28-16)12-8(19)2-3-9(25-12)26-14(29)11-13(22)27-10(6-24-11)30-5-4-18/h2-3,6H,4-5,7H2,1H3,(H2,22,27)(H2,23,28)(H,25,26,29)/t16-/m1/s1
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n/an/a 570n/an/an/an/a4.525



NOVARTIS AG

US Patent


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


US Patent US9163011 (2015)


BindingDB Entry DOI: 10.7270/Q2Z60MV1
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM186068
PNG
(US9163011, 22)
Show SMILES C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(nc2N)C(F)F)ccc1F |r,t:2|
Show InChI InChI=1S/C16H14F5N7O2/c1-15(16(20,21)5-30-14(23)28-15)10-6(17)2-3-8(26-10)27-13(29)9-12(22)25-7(4-24-9)11(18)19/h2-4,11H,5H2,1H3,(H2,22,25)(H2,23,28)(H,26,27,29)/t15-/m1/s1
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n/an/a 580n/an/an/an/a4.525



NOVARTIS AG

US Patent


Assay Description
Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 1 nM concentrations is incubated wi...


US Patent US9163011 (2015)


BindingDB Entry DOI: 10.7270/Q2Z60MV1
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM186050
PNG
(US9163011, 4)
Show SMILES COCC[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(cc2C)C#N)ccc1F |r,t:5|
Show InChI InChI=1S/C20H19F3N6O3/c1-11-7-12(8-24)9-26-15(11)17(30)28-14-4-3-13(21)16(27-14)19(5-6-31-2)20(22,23)10-32-18(25)29-19/h3-4,7,9H,5-6,10H2,1-2H3,(H2,25,29)(H,27,28,30)/t19-/m1/s1
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n/an/a 580n/an/an/an/a4.525



NOVARTIS AG

US Patent


Assay Description
Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 1 nM concentrations is incubated wi...


US Patent US9163011 (2015)


BindingDB Entry DOI: 10.7270/Q2Z60MV1
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM186056
PNG
(US9163011, 10)
Show SMILES C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(OCC(F)(F)F)nc2N)ccc1F |r,t:2|
Show InChI InChI=1S/C17H15F6N7O3/c1-15(16(19,20)5-33-14(25)30-15)11-7(18)2-3-8(27-11)28-13(31)10-12(24)29-9(4-26-10)32-6-17(21,22)23/h2-4H,5-6H2,1H3,(H2,24,29)(H2,25,30)(H,27,28,31)/t15-/m1/s1
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n/an/a 590n/an/an/an/a4.525



NOVARTIS AG

US Patent


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


US Patent US9163011 (2015)


BindingDB Entry DOI: 10.7270/Q2Z60MV1
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM186056
PNG
(US9163011, 10)
Show SMILES C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(OCC(F)(F)F)nc2N)ccc1F |r,t:2|
Show InChI InChI=1S/C17H15F6N7O3/c1-15(16(19,20)5-33-14(25)30-15)11-7(18)2-3-8(27-11)28-13(31)10-12(24)29-9(4-26-10)32-6-17(21,22)23/h2-4H,5-6H2,1H3,(H2,24,29)(H2,25,30)(H,27,28,31)/t15-/m1/s1
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n/an/a 600n/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 US9163011 (2015)


BindingDB Entry DOI: 10.7270/Q2Z60MV1
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM186052
PNG
(US9163011, 6)
Show SMILES COCC[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(cc2Cl)C(F)(F)F)ccc1F |r,t:5|
Show InChI InChI=1S/C19H16ClF6N5O3/c1-33-5-4-17(18(22,23)8-34-16(27)31-17)14-11(21)2-3-12(29-14)30-15(32)13-10(20)6-9(7-28-13)19(24,25)26/h2-3,6-7H,4-5,8H2,1H3,(H2,27,31)(H,29,30,32)/t17-/m1/s1
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US Patent
n/an/a 650n/an/an/an/a4.525



NOVARTIS AG

US Patent


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


US Patent US9163011 (2015)


BindingDB Entry DOI: 10.7270/Q2Z60MV1
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM186061
PNG
(US9163011, 15)
Show SMILES C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(OCF)nc2N)ccc1F |r,t:2|
Show InChI InChI=1S/C16H15F4N7O3/c1-15(16(19,20)5-29-14(22)27-15)11-7(18)2-3-8(24-11)25-13(28)10-12(21)26-9(4-23-10)30-6-17/h2-4H,5-6H2,1H3,(H2,21,26)(H2,22,27)(H,24,25,28)/t15-/m1/s1
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US Patent
n/an/a 730n/an/an/an/a4.525



NOVARTIS AG

US Patent


Assay Description
Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 1 nM concentrations is incubated wi...


US Patent US9163011 (2015)


BindingDB Entry DOI: 10.7270/Q2Z60MV1
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM186057
PNG
(US9163011, 11)
Show SMILES C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(OCC(F)F)nc2N)ccc1F |r,t:2|
Show InChI InChI=1S/C17H16F5N7O3/c1-16(17(21,22)6-32-15(24)29-16)12-7(18)2-3-9(26-12)27-14(30)11-13(23)28-10(4-25-11)31-5-8(19)20/h2-4,8H,5-6H2,1H3,(H2,23,28)(H2,24,29)(H,26,27,30)/t16-/m1/s1
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n/an/a 830n/an/an/an/a4.525



NOVARTIS AG

US Patent


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


US Patent US9163011 (2015)


BindingDB Entry DOI: 10.7270/Q2Z60MV1
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM60791
PNG
(US9163011, 28)
Show SMILES CCOc1cnc(C(=O)Nc2ccc(F)c(n2)[C@@]2(C)N=C(N)OCC2(F)F)c(N)n1 |r,t:20|
Show InChI InChI=1S/C17H18F3N7O3/c1-3-29-10-6-23-11(13(21)26-10)14(28)25-9-5-4-8(18)12(24-9)16(2)17(19,20)7-30-15(22)27-16/h4-6H,3,7H2,1-2H3,(H2,21,26)(H2,22,27)(H,24,25,28)/t16-/m1/s1
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n/an/a 840n/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 US9163011 (2015)


BindingDB Entry DOI: 10.7270/Q2Z60MV1
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM186067
PNG
(US9163011, 21)
Show SMILES COCC#Cc1cnc(C(=O)Nc2ccc(F)c(n2)[C@@]2(C)N=C(N)OCC2(F)F)c(Cl)c1 |r,t:22|
Show InChI InChI=1S/C20H17ClF3N5O3/c1-19(20(23,24)10-32-18(25)29-19)16-13(22)5-6-14(27-16)28-17(30)15-12(21)8-11(9-26-15)4-3-7-31-2/h5-6,8-9H,7,10H2,1-2H3,(H2,25,29)(H,27,28,30)/t19-/m1/s1
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n/an/a 840n/an/an/an/a4.525



NOVARTIS AG

US Patent


Assay Description
Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 1 nM concentrations is incubated wi...


US Patent US9163011 (2015)


BindingDB Entry DOI: 10.7270/Q2Z60MV1
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM186077
PNG
(US9163011, 32)
Show SMILES C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(cc2Cl)C#CCO)ccc1F |r,t:2|
Show InChI InChI=1S/C19H15ClF3N5O3/c1-18(19(22,23)9-31-17(24)28-18)15-12(21)4-5-13(26-15)27-16(30)14-11(20)7-10(8-25-14)3-2-6-29/h4-5,7-8,29H,6,9H2,1H3,(H2,24,28)(H,26,27,30)/t18-/m1/s1
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n/an/a 930n/an/an/an/a4.525



NOVARTIS AG

US Patent


Assay Description
Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 1 nM concentrations is incubated wi...


US Patent US9163011 (2015)


BindingDB Entry DOI: 10.7270/Q2Z60MV1
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM186058
PNG
(US9163011, 12)
Show SMILES C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(OCCCF)nc2N)ccc1F |r,t:2|
Show InChI InChI=1S/C18H19F4N7O3/c1-17(18(21,22)8-32-16(24)29-17)13-9(20)3-4-10(26-13)27-15(30)12-14(23)28-11(7-25-12)31-6-2-5-19/h3-4,7H,2,5-6,8H2,1H3,(H2,23,28)(H2,24,29)(H,26,27,30)/t17-/m1/s1
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n/an/a 1.20E+3n/an/an/an/a4.525



NOVARTIS AG

US Patent


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


US Patent US9163011 (2015)


BindingDB Entry DOI: 10.7270/Q2Z60MV1
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM186054
PNG
(US9163011, 8)
Show SMILES C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(nc2N)C(F)(F)F)ccc1F |r,t:2|
Show InChI InChI=1S/C16H13F6N7O2/c1-14(15(18,19)5-31-13(24)29-14)10-6(17)2-3-8(27-10)28-12(30)9-11(23)26-7(4-25-9)16(20,21)22/h2-4H,5H2,1H3,(H2,23,26)(H2,24,29)(H,27,28,30)/t14-/m1/s1
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n/an/a 1.40E+3n/an/an/an/a4.525



NOVARTIS AG

US Patent


Assay Description
Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 1 nM concentrations is incubated wi...


US Patent US9163011 (2015)


BindingDB Entry DOI: 10.7270/Q2Z60MV1
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM60791
PNG
(US9163011, 28)
Show SMILES CCOc1cnc(C(=O)Nc2ccc(F)c(n2)[C@@]2(C)N=C(N)OCC2(F)F)c(N)n1 |r,t:20|
Show InChI InChI=1S/C17H18F3N7O3/c1-3-29-10-6-23-11(13(21)26-10)14(28)25-9-5-4-8(18)12(24-9)16(2)17(19,20)7-30-15(22)27-16/h4-6H,3,7H2,1-2H3,(H2,21,26)(H2,22,27)(H,24,25,28)/t16-/m1/s1
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n/an/a 1.90E+3n/an/an/an/a4.525



NOVARTIS AG

US Patent


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


US Patent US9163011 (2015)


BindingDB Entry DOI: 10.7270/Q2Z60MV1
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM186069
PNG
(US9163011, 23)
Show SMILES C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(OCCCl)nc2N)ccc1F |r,t:2|
Show InChI InChI=1S/C17H17ClF3N7O3/c1-16(17(20,21)7-31-15(23)28-16)12-8(19)2-3-9(25-12)26-14(29)11-13(22)27-10(6-24-11)30-5-4-18/h2-3,6H,4-5,7H2,1H3,(H2,22,27)(H2,23,28)(H,25,26,29)/t16-/m1/s1
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n/an/a 2.90E+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 US9163011 (2015)


BindingDB Entry DOI: 10.7270/Q2Z60MV1
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM186057
PNG
(US9163011, 11)
Show SMILES C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(OCC(F)F)nc2N)ccc1F |r,t:2|
Show InChI InChI=1S/C17H16F5N7O3/c1-16(17(21,22)6-32-15(24)29-16)12-7(18)2-3-9(26-12)27-14(30)11-13(23)28-10(4-25-11)31-5-8(19)20/h2-4,8H,5-6H2,1H3,(H2,23,28)(H2,24,29)(H,26,27,30)/t16-/m1/s1
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n/an/a 2.90E+3n/an/an/an/a4.525



NOVARTIS AG

US Patent


Assay Description
Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 1 nM concentrations is incubated wi...


US Patent US9163011 (2015)


BindingDB Entry DOI: 10.7270/Q2Z60MV1
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM186056
PNG
(US9163011, 10)
Show SMILES C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(OCC(F)(F)F)nc2N)ccc1F |r,t:2|
Show InChI InChI=1S/C17H15F6N7O3/c1-15(16(19,20)5-33-14(25)30-15)11-7(18)2-3-8(27-11)28-13(31)10-12(24)29-9(4-26-10)32-6-17(21,22)23/h2-4H,5-6H2,1H3,(H2,24,29)(H2,25,30)(H,27,28,31)/t15-/m1/s1
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n/an/a 3.80E+3n/an/an/an/a4.525



NOVARTIS AG

US Patent


Assay Description
Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 1 nM concentrations is incubated wi...


US Patent US9163011 (2015)


BindingDB Entry DOI: 10.7270/Q2Z60MV1
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM186070
PNG
(US9163011, 24)
Show SMILES C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(OCC(F)F)cc2Cl)ccc1F |r,t:2|
Show InChI InChI=1S/C18H15ClF5N5O3/c1-17(18(23,24)7-32-16(25)29-17)14-10(20)2-3-12(27-14)28-15(30)13-9(19)4-8(5-26-13)31-6-11(21)22/h2-5,11H,6-7H2,1H3,(H2,25,29)(H,27,28,30)/t17-/m1/s1
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n/an/a 4.50E+3n/an/an/an/a4.525



NOVARTIS AG

US Patent


Assay Description
Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 1 nM concentrations is incubated wi...


US Patent US9163011 (2015)


BindingDB Entry DOI: 10.7270/Q2Z60MV1
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM186074
PNG
(US9163011, 29)
Show SMILES COCCc1cnc(C(=O)Nc2ccc(F)c(n2)[C@@]2(C)N=C(N)OCC2(F)F)c(N)n1 |r,t:21|
Show InChI InChI=1S/C18H20F3N7O3/c1-17(18(20,21)8-31-16(23)28-17)13-10(19)3-4-11(26-13)27-15(29)12-14(22)25-9(7-24-12)5-6-30-2/h3-4,7H,5-6,8H2,1-2H3,(H2,22,25)(H2,23,28)(H,26,27,29)/t17-/m1/s1
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US Patent
n/an/a 5.60E+3n/an/an/an/a4.525



NOVARTIS AG

US Patent


Assay Description
Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 1 nM concentrations is incubated wi...


US Patent US9163011 (2015)


BindingDB Entry DOI: 10.7270/Q2Z60MV1
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM186079
PNG
(US9163011, 34)
Show SMILES CC(F)(F)c1nc(N)c(nc1Cl)C(=O)Nc1ccc(F)c(n1)[C@@]1(C)N=C(N)OCC1(F)F |r,t:26|
Show InChI InChI=1S/C17H15ClF5N7O2/c1-15(17(22,23)5-32-14(25)30-15)9-6(19)3-4-7(26-9)27-13(31)8-12(24)29-10(11(18)28-8)16(2,20)21/h3-4H,5H2,1-2H3,(H2,24,29)(H2,25,30)(H,26,27,31)/t15-/m1/s1
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n/an/a 6.50E+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 US9163011 (2015)


BindingDB Entry DOI: 10.7270/Q2Z60MV1
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM186052
PNG
(US9163011, 6)
Show SMILES COCC[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(cc2Cl)C(F)(F)F)ccc1F |r,t:5|
Show InChI InChI=1S/C19H16ClF6N5O3/c1-33-5-4-17(18(22,23)8-34-16(27)31-17)14-11(21)2-3-12(29-14)30-15(32)13-10(20)6-9(7-28-13)19(24,25)26/h2-3,6-7H,4-5,8H2,1H3,(H2,27,31)(H,29,30,32)/t17-/m1/s1
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n/an/a 6.60E+3n/an/an/an/a4.525



NOVARTIS AG

US Patent


Assay Description
Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 1 nM concentrations is incubated wi...


US Patent US9163011 (2015)


BindingDB Entry DOI: 10.7270/Q2Z60MV1
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM186063
PNG
(US9163011, 17)
Show SMILES C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(cc2N)C#CCO)ccc1F |r,t:2|
Show InChI InChI=1S/C19H17F3N6O3/c1-18(19(21,22)9-31-17(24)28-18)15-11(20)4-5-13(26-15)27-16(30)14-12(23)7-10(8-25-14)3-2-6-29/h4-5,7-8,29H,6,9,23H2,1H3,(H2,24,28)(H,26,27,30)/t18-/m1/s1
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n/an/a 8.20E+3n/an/an/an/a4.525



NOVARTIS AG

US Patent


Assay Description
Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 1 nM concentrations is incubated wi...


US Patent US9163011 (2015)


BindingDB Entry DOI: 10.7270/Q2Z60MV1
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM186069
PNG
(US9163011, 23)
Show SMILES C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(OCCCl)nc2N)ccc1F |r,t:2|
Show InChI InChI=1S/C17H17ClF3N7O3/c1-16(17(20,21)7-31-15(23)28-16)12-8(19)2-3-9(25-12)26-14(29)11-13(22)27-10(6-24-11)30-5-4-18/h2-3,6H,4-5,7H2,1H3,(H2,22,27)(H2,23,28)(H,25,26,29)/t16-/m1/s1
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n/an/a 8.70E+3n/an/an/an/a4.525



NOVARTIS AG

US Patent


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


US Patent US9163011 (2015)


BindingDB Entry DOI: 10.7270/Q2Z60MV1
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM186062
PNG
(US9163011, 16)
Show SMILES COCCOc1cnc(C(=O)Nc2ccc(F)c(n2)[C@@]2(C)N=C(N)OCC2(F)F)c(N)n1 |r,t:22|
Show InChI InChI=1S/C18H20F3N7O4/c1-17(18(20,21)8-32-16(23)28-17)13-9(19)3-4-10(25-13)26-15(29)12-14(22)27-11(7-24-12)31-6-5-30-2/h3-4,7H,5-6,8H2,1-2H3,(H2,22,27)(H2,23,28)(H,25,26,29)/t17-/m1/s1
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n/an/a 8.90E+3n/an/an/an/a4.525



NOVARTIS AG

US Patent


Assay Description
Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 1 nM concentrations is incubated wi...


US Patent US9163011 (2015)


BindingDB Entry DOI: 10.7270/Q2Z60MV1
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM186071
PNG
(US9163011, 25)
Show SMILES C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(OCCF)nc2N)ccc1F |r,t:2|
Show InChI InChI=1S/C17H17F4N7O3/c1-16(17(20,21)7-31-15(23)28-16)12-8(19)2-3-9(25-12)26-14(29)11-13(22)27-10(6-24-11)30-5-4-18/h2-3,6H,4-5,7H2,1H3,(H2,22,27)(H2,23,28)(H,25,26,29)/t16-/m1/s1
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US Patent
n/an/a>1.00E+4n/an/an/an/a4.525



NOVARTIS AG

US Patent


Assay Description
Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 1 nM concentrations is incubated wi...


US Patent US9163011 (2015)


BindingDB Entry DOI: 10.7270/Q2Z60MV1
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM186069
PNG
(US9163011, 23)
Show SMILES C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(OCCCl)nc2N)ccc1F |r,t:2|
Show InChI InChI=1S/C17H17ClF3N7O3/c1-16(17(20,21)7-31-15(23)28-16)12-8(19)2-3-9(25-12)26-14(29)11-13(22)27-10(6-24-11)30-5-4-18/h2-3,6H,4-5,7H2,1H3,(H2,22,27)(H2,23,28)(H,25,26,29)/t16-/m1/s1
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US Patent
n/an/a>1.00E+4n/an/an/an/a4.525



NOVARTIS AG

US Patent


Assay Description
Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 1 nM concentrations is incubated wi...


US Patent US9163011 (2015)


BindingDB Entry DOI: 10.7270/Q2Z60MV1
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM186058
PNG
(US9163011, 12)
Show SMILES C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(OCCCF)nc2N)ccc1F |r,t:2|
Show InChI InChI=1S/C18H19F4N7O3/c1-17(18(21,22)8-32-16(24)29-17)13-9(20)3-4-10(26-13)27-15(30)12-14(23)28-11(7-25-12)31-6-2-5-19/h3-4,7H,2,5-6,8H2,1H3,(H2,23,28)(H2,24,29)(H,26,27,30)/t17-/m1/s1
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US Patent
n/an/a>1.00E+4n/an/an/an/a4.525



NOVARTIS AG

US Patent


Assay Description
Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 1 nM concentrations is incubated wi...


US Patent US9163011 (2015)


BindingDB Entry DOI: 10.7270/Q2Z60MV1
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM186051
PNG
(US9163011, 5)
Show SMILES COCC[C@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(cc2C)C#N)ccc1F |r,t:5|
Show InChI InChI=1S/C20H19F3N6O3/c1-11-7-12(8-24)9-26-15(11)17(30)28-14-4-3-13(21)16(27-14)19(5-6-31-2)20(22,23)10-32-18(25)29-19/h3-4,7,9H,5-6,10H2,1-2H3,(H2,25,29)(H,27,28,30)/t19-/m0/s1
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US Patent
n/an/a>1.00E+4n/an/an/an/a4.525



NOVARTIS AG

US Patent


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


US Patent US9163011 (2015)


BindingDB Entry DOI: 10.7270/Q2Z60MV1
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM186051
PNG
(US9163011, 5)
Show SMILES COCC[C@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(cc2C)C#N)ccc1F |r,t:5|
Show InChI InChI=1S/C20H19F3N6O3/c1-11-7-12(8-24)9-26-15(11)17(30)28-14-4-3-13(21)16(27-14)19(5-6-31-2)20(22,23)10-32-18(25)29-19/h3-4,7,9H,5-6,10H2,1-2H3,(H2,25,29)(H,27,28,30)/t19-/m0/s1
PDB
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US Patent
n/an/a>1.00E+4n/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 US9163011 (2015)


BindingDB Entry DOI: 10.7270/Q2Z60MV1
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM60791
PNG
(US9163011, 28)
Show SMILES CCOc1cnc(C(=O)Nc2ccc(F)c(n2)[C@@]2(C)N=C(N)OCC2(F)F)c(N)n1 |r,t:20|
Show InChI InChI=1S/C17H18F3N7O3/c1-3-29-10-6-23-11(13(21)26-10)14(28)25-9-5-4-8(18)12(24-9)16(2)17(19,20)7-30-15(22)27-16/h4-6H,3,7H2,1-2H3,(H2,21,26)(H2,22,27)(H,24,25,28)/t16-/m1/s1
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US Patent
n/an/a 1.00E+4n/an/an/an/a4.525



NOVARTIS AG

US Patent


Assay Description
Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 1 nM concentrations is incubated wi...


US Patent US9163011 (2015)


BindingDB Entry DOI: 10.7270/Q2Z60MV1
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM186051
PNG
(US9163011, 5)
Show SMILES COCC[C@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(cc2C)C#N)ccc1F |r,t:5|
Show InChI InChI=1S/C20H19F3N6O3/c1-11-7-12(8-24)9-26-15(11)17(30)28-14-4-3-13(21)16(27-14)19(5-6-31-2)20(22,23)10-32-18(25)29-19/h3-4,7,9H,5-6,10H2,1-2H3,(H2,25,29)(H,27,28,30)/t19-/m0/s1
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US Patent
n/an/a>1.00E+4n/an/an/an/a4.525



NOVARTIS AG

US Patent


Assay Description
Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 1 nM concentrations is incubated wi...


US Patent US9163011 (2015)


BindingDB Entry DOI: 10.7270/Q2Z60MV1
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM186082
PNG
(US9163011, 37)
Show SMILES CC(F)(F)c1cnc(C(=O)Nc2ccc(F)c(n2)[C@@]2(C)N=C(N)OCC2(F)F)c(N)n1 |r,t:21|
Show InChI InChI=1S/C17H16F5N7O2/c1-15(17(21,22)6-31-14(24)29-15)11-7(18)3-4-9(27-11)28-13(30)10-12(23)26-8(5-25-10)16(2,19)20/h3-5H,6H2,1-2H3,(H2,23,26)(H2,24,29)(H,27,28,30)/t15-/m1/s1
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n/an/a>1.00E+4n/an/an/an/a4.525



NOVARTIS AG

US Patent


Assay Description
Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 1 nM concentrations is incubated wi...


US Patent US9163011 (2015)


BindingDB Entry DOI: 10.7270/Q2Z60MV1
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM186079
PNG
(US9163011, 34)
Show SMILES CC(F)(F)c1nc(N)c(nc1Cl)C(=O)Nc1ccc(F)c(n1)[C@@]1(C)N=C(N)OCC1(F)F |r,t:26|
Show InChI InChI=1S/C17H15ClF5N7O2/c1-15(17(22,23)5-32-14(25)30-15)9-6(19)3-4-7(26-9)27-13(31)8-12(24)29-10(11(18)28-8)16(2,20)21/h3-4H,5H2,1-2H3,(H2,24,29)(H2,25,30)(H,26,27,31)/t15-/m1/s1
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US Patent
n/an/a>1.00E+4n/an/an/an/a4.525



NOVARTIS AG

US Patent


Assay Description
Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 1 nM concentrations is incubated wi...


US Patent US9163011 (2015)


BindingDB Entry DOI: 10.7270/Q2Z60MV1
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM186079
PNG
(US9163011, 34)
Show SMILES CC(F)(F)c1nc(N)c(nc1Cl)C(=O)Nc1ccc(F)c(n1)[C@@]1(C)N=C(N)OCC1(F)F |r,t:26|
Show InChI InChI=1S/C17H15ClF5N7O2/c1-15(17(22,23)5-32-14(25)30-15)9-6(19)3-4-7(26-9)27-13(31)8-12(24)29-10(11(18)28-8)16(2,20)21/h3-4H,5H2,1-2H3,(H2,24,29)(H2,25,30)(H,26,27,31)/t15-/m1/s1
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US Patent
n/an/a>1.00E+4n/an/an/an/a4.525



NOVARTIS AG

US Patent


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


US Patent US9163011 (2015)


BindingDB Entry DOI: 10.7270/Q2Z60MV1
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%