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Patent code US10683287

Compile Data Set for Download or QSAR
Found 96 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Beta-secretase (BACE)


(Homo sapiens (Human))		BDBM116254
PNG
(US10035794, Example 31 | US10683287, Example 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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n/an/a 1n/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 US10683287 (2020)

More data for this
Ligand-Target Pair
Beta-secretase (BACE)


(Homo sapiens (Human))		BDBM116236
PNG
(US10035794, Example 11 | US10683287, Example 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 US10683287 (2020)

More data for this
Ligand-Target Pair
Beta-secretase (BACE)


(Homo sapiens (Human))		BDBM116245
PNG
(US10035794, Example 22 | US10683287, Example 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 US10683287 (2020)

More data for this
Ligand-Target Pair
Beta-secretase (BACE)


(Homo sapiens (Human))		BDBM116233
PNG
(US10035794, Example 8 | US10683287, Example 8 | US...)
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 US10683287 (2020)

More data for this
Ligand-Target Pair
Beta-secretase (BACE)


(Homo sapiens (Human))		BDBM445520
PNG
(US10683287, Example 46)
Show SMILES Cc1cn(nc1C(=O)Nc1ccc(F)c(n1)[C@]1(C)CO[C@](C)(C(N)=N1)C(F)(F)F)C(F)F
Show InChI InChI=1S/C18H18F6N6O2/c1-8-6-30(15(20)21)29-11(8)13(31)27-10-5-4-9(19)12(26-10)16(2)7-32-17(3,14(25)28-16)18(22,23)24/h4-6,15H,7H2,1-3H3,(H2,25,28)(H,26,27,31)/t16-,17+/m0/s1
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n/an/a 5n/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 US10683287 (2020)

More data for this
Ligand-Target Pair
Beta-secretase (BACE)


(Homo sapiens (Human))		BDBM116247
PNG
(US10035794, Example 24 | US10683287, Example 35 | ...)
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 US10683287 (2020)

More data for this
Ligand-Target Pair
Beta-secretase (BACE)


(Homo sapiens (Human))		BDBM116254
PNG
(US10035794, Example 31 | US10683287, Example 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 US10683287 (2020)

More data for this
Ligand-Target Pair
Beta-secretase (BACE)


(Homo sapiens (Human))		BDBM116257
PNG
(US10035794, Example 34 | US10683287, Example 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 US10683287 (2020)

More data for this
Ligand-Target Pair
Beta-secretase (BACE)


(Homo sapiens (Human))		BDBM116255
PNG
(US10035794, Example 32 | US10683287, Example 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 US10683287 (2020)

More data for this
Ligand-Target Pair
Beta-secretase (BACE)


(Homo sapiens (Human))		BDBM445495
PNG
(US10683287, Example 21)
Show SMILES C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cccc(NC(=O)c2ccc(Cl)cn2)n1
Show InChI InChI=1S/C18H17ClF3N5O2/c1-16(9-29-17(2,15(23)27-16)18(20,21)22)12-4-3-5-13(25-12)26-14(28)11-7-6-10(19)8-24-11/h3-8H,9H2,1-2H3,(H2,23,27)(H,25,26,28)/t16-,17+/m0/s1
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n/an/a 8n/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 US10683287 (2020)

More data for this
Ligand-Target Pair
Beta-secretase (BACE)


(Homo sapiens (Human))		BDBM116247
PNG
(US10035794, Example 24 | US10683287, Example 35 | ...)
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 10n/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 US10683287 (2020)

More data for this
Ligand-Target Pair
Beta-secretase (BACE)


(Homo sapiens (Human))		BDBM445520
PNG
(US10683287, Example 46)
Show SMILES Cc1cn(nc1C(=O)Nc1ccc(F)c(n1)[C@]1(C)CO[C@](C)(C(N)=N1)C(F)(F)F)C(F)F
Show InChI InChI=1S/C18H18F6N6O2/c1-8-6-30(15(20)21)29-11(8)13(31)27-10-5-4-9(19)12(26-10)16(2)7-32-17(3,14(25)28-16)18(22,23)24/h4-6,15H,7H2,1-3H3,(H2,25,28)(H,26,27,31)/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 US10683287 (2020)

More data for this
Ligand-Target Pair
Beta-secretase (BACE)


(Homo sapiens (Human))		BDBM116244
PNG
(US10035794, Example 20 | US10683287, Example 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 US10683287 (2020)

More data for this
Ligand-Target Pair
Beta-secretase (BACE)


(Homo sapiens (Human))		BDBM116250
PNG
(US10035794, Example 27 | US10683287, Example 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 US10683287 (2020)

More data for this
Ligand-Target Pair
Beta-secretase (BACE)


(Homo sapiens (Human))		BDBM116250
PNG
(US10035794, Example 27 | US10683287, Example 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-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...

US Patent US10683287 (2020)

More data for this
Ligand-Target Pair
Beta-secretase (BACE)


(Homo sapiens (Human))		BDBM116236
PNG
(US10035794, Example 11 | US10683287, Example 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-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...

US Patent US10683287 (2020)

More data for this
Ligand-Target Pair
Beta-secretase (BACE)


(Homo sapiens (Human))		BDBM116245
PNG
(US10035794, Example 22 | US10683287, Example 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 US10683287 (2020)

More data for this
Ligand-Target Pair
Beta-secretase (BACE)


(Homo sapiens (Human))		BDBM116248
PNG
(US10035794, Example 25 | US10683287, Example 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 15n/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 US10683287 (2020)

More data for this
Ligand-Target Pair
Beta-secretase (BACE)


(Homo sapiens (Human))		BDBM116233
PNG
(US10035794, Example 8 | US10683287, Example 8 | US...)
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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n/an/a 20n/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 US10683287 (2020)

More data for this
Ligand-Target Pair
Beta-secretase (BACE)


(Homo sapiens (Human))		BDBM445503
PNG
(US10683287, Example 29)
Show SMILES Cc1cc(cnc1C(=O)Nc1ccc(F)c(n1)[C@]1(C)CO[C@](C)(C(N)=N1)C(F)(F)F)C(F)F
Show InChI InChI=1S/C20H19F6N5O2/c1-9-6-10(15(22)23)7-28-13(9)16(32)30-12-5-4-11(21)14(29-12)18(2)8-33-19(3,17(27)31-18)20(24,25)26/h4-7,15H,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 US10683287 (2020)

More data for this
Ligand-Target Pair
Beta-secretase (BACE)


(Homo sapiens (Human))		BDBM116252
PNG
(US10035794, Example 29 | US10683287, Example 30 | ...)
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 US10683287 (2020)

More data for this
Ligand-Target Pair
Beta-secretase (BACE)


(Homo sapiens (Human))		BDBM116252
PNG
(US10035794, Example 29 | US10683287, Example 30 | ...)
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 US10683287 (2020)

More data for this
Ligand-Target Pair
Beta-secretase (BACE)


(Homo sapiens (Human))		BDBM445503
PNG
(US10683287, Example 29)
Show SMILES Cc1cc(cnc1C(=O)Nc1ccc(F)c(n1)[C@]1(C)CO[C@](C)(C(N)=N1)C(F)(F)F)C(F)F
Show InChI InChI=1S/C20H19F6N5O2/c1-9-6-10(15(22)23)7-28-13(9)16(32)30-12-5-4-11(21)14(29-12)18(2)8-33-19(3,17(27)31-18)20(24,25)26/h4-7,15H,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 US10683287 (2020)

More data for this
Ligand-Target Pair
Beta-secretase (BACE)


(Homo sapiens (Human))		BDBM116257
PNG
(US10035794, Example 34 | US10683287, Example 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 US10683287 (2020)

More data for this
Ligand-Target Pair
Beta-secretase (BACE)


(Homo sapiens (Human))		BDBM445495
PNG
(US10683287, Example 21)
Show SMILES C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cccc(NC(=O)c2ccc(Cl)cn2)n1
Show InChI InChI=1S/C18H17ClF3N5O2/c1-16(9-29-17(2,15(23)27-16)18(20,21)22)12-4-3-5-13(25-12)26-14(28)11-7-6-10(19)8-24-11/h3-8H,9H2,1-2H3,(H2,23,27)(H,25,26,28)/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 US10683287 (2020)

More data for this
Ligand-Target Pair
Beta-secretase (BACE)


(Homo sapiens (Human))		BDBM116261
PNG
(US10035794, Example 38 | US10683287, Example 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 US10683287 (2020)

More data for this
Ligand-Target Pair
Beta-secretase (BACE)


(Homo sapiens (Human))		BDBM116235
PNG
(US10035794, Example 10 | US10683287, Example 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-1 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...

US Patent US10683287 (2020)

More data for this
Ligand-Target Pair
Beta-secretase (BACE)


(Homo sapiens (Human))		BDBM116267
PNG
(US10035794, Example 44 | US10683287, Example 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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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 US10683287 (2020)

More data for this
Ligand-Target Pair
Beta-secretase (BACE)


(Homo sapiens (Human))		BDBM116244
PNG
(US10035794, Example 20 | US10683287, Example 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-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...

US Patent US10683287 (2020)

More data for this
Ligand-Target Pair
Beta-secretase (BACE)


(Homo sapiens (Human))		BDBM116263
PNG
(US10035794, Example 40 | US10683287, Example 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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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 US10683287 (2020)

More data for this
Ligand-Target Pair
Beta-secretase (BACE)


(Homo sapiens (Human))		BDBM116243
PNG
(US10035794, Example 19 | US10683287, Example 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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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 US10683287 (2020)

More data for this
Ligand-Target Pair
Beta-secretase (BACE)


(Homo sapiens (Human))		BDBM116255
PNG
(US10035794, Example 32 | US10683287, Example 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-1 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...

US Patent US10683287 (2020)

More data for this
Ligand-Target Pair
Beta-secretase (BACE)


(Homo sapiens (Human))		BDBM116240
PNG
(US10035794, Example 16 | US10683287, Example 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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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 US10683287 (2020)

More data for this
Ligand-Target Pair
Beta-secretase (BACE)


(Homo sapiens (Human))		BDBM116240
PNG
(US10035794, Example 16 | US10683287, Example 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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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 US10683287 (2020)

More data for this
Ligand-Target Pair
Beta-secretase (BACE)


(Homo sapiens (Human))		BDBM116243
PNG
(US10035794, Example 19 | US10683287, Example 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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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 US10683287 (2020)

More data for this
Ligand-Target Pair
Beta-secretase (BACE)


(Homo sapiens (Human))		BDBM116248
PNG
(US10035794, Example 25 | US10683287, Example 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 US10683287 (2020)

More data for this
Ligand-Target Pair
Beta-secretase (BACE)


(Homo sapiens (Human))		BDBM116235
PNG
(US10035794, Example 10 | US10683287, Example 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 US10683287 (2020)

More data for this
Ligand-Target Pair
Beta-secretase (BACE)


(Homo sapiens (Human))		BDBM116247
PNG
(US10035794, Example 24 | US10683287, Example 35 | ...)
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 US10683287 (2020)

More data for this
Ligand-Target Pair
Beta-secretase (BACE)


(Homo sapiens (Human))		BDBM116242
PNG
(US10683287, Example 18 | US8637508, 18)
Show SMILES NC1=NC(CF)(COC1)c1cc(NC(=O)c2ccc(Br)cn2)cnc1Cl
Show InChI InChI=1S/C16H14BrClFN5O2/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)
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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 US10683287 (2020)

More data for this
Ligand-Target Pair
Beta-secretase (BACE)


(Homo sapiens (Human))		BDBM116264
PNG
(US10035794, Example 41 | US10683287, Example 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 US10683287 (2020)

More data for this
Ligand-Target Pair
Beta-secretase (BACE)


(Homo sapiens (Human))		BDBM116242
PNG
(US10683287, Example 18 | US8637508, 18)
Show SMILES NC1=NC(CF)(COC1)c1cc(NC(=O)c2ccc(Br)cn2)cnc1Cl
Show InChI InChI=1S/C16H14BrClFN5O2/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)
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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 US10683287 (2020)

More data for this
Ligand-Target Pair
Beta-secretase (BACE)


(Homo sapiens (Human))		BDBM116247
PNG
(US10035794, Example 24 | US10683287, Example 35 | ...)
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 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 US10683287 (2020)

More data for this
Ligand-Target Pair
Beta-secretase (BACE)


(Homo sapiens (Human))		BDBM116261
PNG
(US10035794, Example 38 | US10683287, Example 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 US10683287 (2020)

More data for this
Ligand-Target Pair
Beta-secretase (BACE)


(Homo sapiens (Human))		BDBM116263
PNG
(US10035794, Example 40 | US10683287, Example 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 US10683287 (2020)

More data for this
Ligand-Target Pair
Beta-secretase (BACE)


(Homo sapiens (Human))		BDBM116267
PNG
(US10035794, Example 44 | US10683287, Example 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 US10683287 (2020)

More data for this
Ligand-Target Pair
Beta-secretase (BACE)


(Homo sapiens (Human))		BDBM116265
PNG
(US10035794, Example 42 | US10683287, Example 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 200n/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 US10683287 (2020)

More data for this
Ligand-Target Pair
Beta-secretase (BACE)


(Homo sapiens (Human))		BDBM116264
PNG
(US10035794, Example 41 | US10683287, Example 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 230n/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 US10683287 (2020)

More data for this
Ligand-Target Pair
Beta-secretase (BACE)


(Homo sapiens (Human))		BDBM445480
PNG
(US10683287, Example 6)
Show SMILES [NH3+]C1=NC(CF)(COC1)c1cccc(NC(=O)c2ccccn2)n1
Show InChI InChI=1S/C16H16FN5O2/c17-9-16(10-24-8-13(18)22-16)12-5-3-6-14(20-12)21-15(23)11-4-1-2-7-19-11/h1-7H,8-10H2,(H2,18,22)(H,20,21,23)/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 US10683287 (2020)

More data for this
Ligand-Target Pair
Beta-secretase (BACE)


(Homo sapiens (Human))		BDBM116227
PNG
(US10035794, Example 1 | US10683287, Example 1 | US...)
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 260n/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 US10683287 (2020)

More data for this
Ligand-Target Pair
Beta-secretase (BACE)


(Homo sapiens (Human))		BDBM445479
PNG
(US10683287, Example 5)
Show SMILES [NH3+]C1=NC(CF)(COC1)c1cccc(NC(=O)c2ccc(cn2)C#N)n1
Show InChI InChI=1S/C17H15FN6O2/c18-9-17(10-26-8-14(20)24-17)13-2-1-3-15(22-13)23-16(25)12-5-4-11(6-19)7-21-12/h1-5,7H,8-10H2,(H2,20,24)(H,22,23,25)/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 US10683287 (2020)

More data for this
Ligand-Target Pair
Beta-secretase (BACE)


(Homo sapiens (Human))		BDBM116253
PNG
(US10035794, Example 30 | US10683287, Example 36 | ...)
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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n/an/a 280n/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 US10683287 (2020)

More data for this
Ligand-Target Pair
Beta-secretase (BACE)


(Homo sapiens (Human))		BDBM116256
PNG
(US10035794, Example 33 | US10683287, Example 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 330n/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 US10683287 (2020)

More data for this
Ligand-Target Pair
Beta-secretase (BACE)


(Homo sapiens (Human))		BDBM116228
PNG
(US10035794, Example 2 | US10683287, Example 2 | US...)
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 360n/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 US10683287 (2020)

More data for this
Ligand-Target Pair
Beta-secretase (BACE)


(Homo sapiens (Human))		BDBM116260
PNG
(US10035794, Example 37 | US10683287, Example 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 380n/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 US10683287 (2020)

More data for this
Ligand-Target Pair
Beta-secretase (BACE)


(Homo sapiens (Human))		BDBM116227
PNG
(US10035794, Example 1 | US10683287, Example 1 | US...)
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 390n/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 US10683287 (2020)

More data for this
Ligand-Target Pair
Beta-secretase (BACE)


(Homo sapiens (Human))		BDBM445500
PNG
(US10683287, Example 26)
Show SMILES Cc1cc(OCC(C)(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/C22H23F6N5O3/c1-11-7-12(35-10-20(3,24)25)8-30-15(11)17(34)32-14-6-5-13(23)16(31-14)19(2)9-36-21(4,18(29)33-19)22(26,27)28/h5-8H,9-10H2,1-4H3,(H2,29,33)(H,31,32,34)/t19-,21+/m0/s1
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n/an/a 400n/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 US10683287 (2020)

More data for this
Ligand-Target Pair
Beta-secretase (BACE)


(Homo sapiens (Human))		BDBM116253
PNG
(US10035794, Example 30 | US10683287, Example 36 | ...)
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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n/an/a 410n/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 US10683287 (2020)

More data for this
Ligand-Target Pair
Beta-secretase (BACE)


(Homo sapiens (Human))		BDBM116260
PNG
(US10035794, Example 37 | US10683287, Example 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 430n/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 US10683287 (2020)

More data for this
Ligand-Target Pair
Beta-secretase (BACE)


(Homo sapiens (Human))		BDBM116237
PNG
(US10035794, Example 12 | US10683287, Example 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 490n/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 US10683287 (2020)

More data for this
Ligand-Target Pair
Beta-secretase (BACE)


(Homo sapiens (Human))		BDBM445480
PNG
(US10683287, Example 6)
Show SMILES [NH3+]C1=NC(CF)(COC1)c1cccc(NC(=O)c2ccccn2)n1
Show InChI InChI=1S/C16H16FN5O2/c17-9-16(10-24-8-13(18)22-16)12-5-3-6-14(20-12)21-15(23)11-4-1-2-7-19-11/h1-7H,8-10H2,(H2,18,22)(H,20,21,23)/p+1
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n/an/a 550n/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 US10683287 (2020)

More data for this
Ligand-Target Pair
Beta-secretase (BACE)


(Homo sapiens (Human))		BDBM116228
PNG
(US10035794, Example 2 | US10683287, Example 2 | US...)
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 790n/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 US10683287 (2020)

More data for this
Ligand-Target Pair
Beta-secretase (BACE)


(Homo sapiens (Human))		BDBM116256
PNG
(US10035794, Example 33 | US10683287, Example 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 820n/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 US10683287 (2020)

More data for this
Ligand-Target Pair
Beta-secretase (BACE)


(Homo sapiens (Human))		BDBM116265
PNG
(US10035794, Example 42 | US10683287, Example 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 1.00E+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 US10683287 (2020)

More data for this
Ligand-Target Pair
Beta-secretase (BACE)


(Homo sapiens (Human))		BDBM445479
PNG
(US10683287, Example 5)
Show SMILES [NH3+]C1=NC(CF)(COC1)c1cccc(NC(=O)c2ccc(cn2)C#N)n1
Show InChI InChI=1S/C17H15FN6O2/c18-9-17(10-26-8-14(20)24-17)13-2-1-3-15(22-13)23-16(25)12-5-4-11(6-19)7-21-12/h1-5,7H,8-10H2,(H2,20,24)(H,22,23,25)/p+1
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n/an/a 1.00E+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 US10683287 (2020)

More data for this
Ligand-Target Pair
Beta-secretase (BACE)


(Homo sapiens (Human))		BDBM116247
PNG
(US10035794, Example 24 | US10683287, Example 35 | ...)
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 1.10E+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 US10683287 (2020)

More data for this
Ligand-Target Pair
Beta-secretase (BACE)


(Homo sapiens (Human))		BDBM445497
PNG
(US10683287, Example 23)
Show SMILES CC(F)(F)COc1cnc(C(=O)Nc2cccc(n2)[C@]2(C)CO[C@](C)(C(N)=N2)C(F)(F)F)c(N)n1
Show InChI InChI=1S/C20H22F5N7O3/c1-17(8-35-19(3,16(27)32-17)20(23,24)25)10-5-4-6-11(29-10)30-15(33)13-14(26)31-12(7-28-13)34-9-18(2,21)22/h4-7H,8-9H2,1-3H3,(H2,26,31)(H2,27,32)(H,29,30,33)/t17-,19+/m0/s1
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n/an/a 1.20E+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 US10683287 (2020)

More data for this
Ligand-Target Pair
Beta-secretase (BACE)


(Homo sapiens (Human))		BDBM116266
PNG
(US10035794, Example 43 | US10683287, Example 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 1.20E+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 US10683287 (2020)

More data for this
Ligand-Target Pair
Beta-secretase (BACE)


(Homo sapiens (Human))		BDBM116237
PNG
(US10035794, Example 12 | US10683287, Example 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 US10683287 (2020)

More data for this
Ligand-Target Pair
Beta-secretase (BACE)


(Homo sapiens (Human))		BDBM116229
PNG
(US10683287, Example 3 | US8637508, 3)
Show SMILES [NH3+]C1=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)/p+1
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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 US10683287 (2020)

More data for this
Ligand-Target Pair
Beta-secretase (BACE)


(Homo sapiens (Human))		BDBM445487
PNG
(US10683287, Example 13)
Show SMILES Cc1cc(Cl)cnc1C(=O)Nc1cc(ccn1)C1(CF)COCC([NH3+])=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)/p+1
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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 US10683287 (2020)

More data for this
Ligand-Target Pair
Beta-secretase (BACE)


(Homo sapiens (Human))		BDBM116262
PNG
(US10035794, Example 39 | US10683287, Example 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 US10683287 (2020)

More data for this
Ligand-Target Pair
Beta-secretase (BACE)


(Homo sapiens (Human))		BDBM116230
PNG
(BDBM279660 | US10683287, Example 4 | US8637508, 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 US10683287 (2020)

More data for this
Ligand-Target Pair
Beta-secretase (BACE)


(Homo sapiens (Human))		BDBM116230
PNG
(BDBM279660 | US10683287, Example 4 | US8637508, 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 US10683287 (2020)

More data for this
Ligand-Target Pair
Beta-secretase (BACE)


(Homo sapiens (Human))		BDBM116247
PNG
(US10035794, Example 24 | US10683287, Example 35 | ...)
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 US10683287 (2020)

More data for this
Ligand-Target Pair
Beta-secretase (BACE)


(Homo sapiens (Human))		BDBM116232
PNG
(US10683287, Example 7 | US8637508, 7)
Show SMILES NC(=S)c1ccc(nc1)C(=O)Nc1cccc(n1)C1(CF)COCC([NH3+])=N1
Show InChI InChI=1S/C17H17FN6O2S/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/h1-6H,7-9H2,(H2,19,24)(H2,20,27)(H,22,23,25)/p+1
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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 US10683287 (2020)

More data for this
Ligand-Target Pair
Beta-secretase (BACE)


(Homo sapiens (Human))		BDBM116229
PNG
(US10683287, Example 3 | US8637508, 3)
Show SMILES [NH3+]C1=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)/p+1
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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 US10683287 (2020)

More data for this
Ligand-Target Pair
Beta-secretase (BACE)


(Homo sapiens (Human))		BDBM445487
PNG
(US10683287, Example 13)
Show SMILES Cc1cc(Cl)cnc1C(=O)Nc1cc(ccn1)C1(CF)COCC([NH3+])=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)/p+1
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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 US10683287 (2020)

More data for this
Ligand-Target Pair
Beta-secretase (BACE)


(Homo sapiens (Human))		BDBM116241
PNG
(US10035794, Example 17 | US10683287, Example 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 US10683287 (2020)

More data for this
Ligand-Target Pair
Beta-secretase (BACE)


(Homo sapiens (Human))		BDBM116238
PNG
(BDBM279670 | US10683287, Example 14 | US8637508, 1...)
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 US10683287 (2020)

More data for this
Ligand-Target Pair
Beta-secretase (BACE)


(Homo sapiens (Human))		BDBM445521
PNG
(US10683287, Example 47)
Show SMILES Cc1cc2N(CC(F)F)CCc2nc1C(=O)Nc1ccc(F)c(n1)[C@]1(C)CO[C@](C)(C(N)=N1)C(F)(F)F
Show InChI InChI=1S/C23H24F6N6O2/c1-11-8-14-13(6-7-35(14)9-15(25)26)31-17(11)19(36)33-16-5-4-12(24)18(32-16)21(2)10-37-22(3,20(30)34-21)23(27,28)29/h4-5,8,15H,6-7,9-10H2,1-3H3,(H2,30,34)(H,32,33,36)/t21-,22+/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 US10683287 (2020)

More data for this
Ligand-Target Pair
Beta-secretase (BACE)


(Homo sapiens (Human))		BDBM116235
PNG
(US10035794, Example 10 | US10683287, Example 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 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 US10683287 (2020)

More data for this
Ligand-Target Pair
Beta-secretase (BACE)


(Homo sapiens (Human))		BDBM445500
PNG
(US10683287, Example 26)
Show SMILES Cc1cc(OCC(C)(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/C22H23F6N5O3/c1-11-7-12(35-10-20(3,24)25)8-30-15(11)17(34)32-14-6-5-13(23)16(31-14)19(2)9-36-21(4,18(29)33-19)22(26,27)28/h5-8H,9-10H2,1-4H3,(H2,29,33)(H,31,32,34)/t19-,21+/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 US10683287 (2020)

More data for this
Ligand-Target Pair
Beta-secretase (BACE)


(Homo sapiens (Human))		BDBM116262
PNG
(US10035794, Example 39 | US10683287, Example 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 US10683287 (2020)

More data for this
Ligand-Target Pair
Beta-secretase (BACE)


(Homo sapiens (Human))		BDBM445522
PNG
(US10683287, Example 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/C23H25ClF4N6O3/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/h4-5,10H,6-9,11H2,1-3H3,(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 US10683287 (2020)

More data for this
Ligand-Target Pair
Beta-secretase (BACE)


(Homo sapiens (Human))		BDBM116241
PNG
(US10035794, Example 17 | US10683287, Example 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 US10683287 (2020)

More data for this
Ligand-Target Pair
Beta-secretase (BACE)


(Homo sapiens (Human))		BDBM116238
PNG
(BDBM279670 | US10683287, Example 14 | US8637508, 1...)
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 US10683287 (2020)

More data for this
Ligand-Target Pair
Beta-secretase (BACE)


(Homo sapiens (Human))		BDBM116232
PNG
(US10683287, Example 7 | US8637508, 7)
Show SMILES NC(=S)c1ccc(nc1)C(=O)Nc1cccc(n1)C1(CF)COCC([NH3+])=N1
Show InChI InChI=1S/C17H17FN6O2S/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/h1-6H,7-9H2,(H2,19,24)(H2,20,27)(H,22,23,25)/p+1
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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 US10683287 (2020)

More data for this
Ligand-Target Pair
Beta-secretase (BACE)


(Homo sapiens (Human))		BDBM116235
PNG
(US10035794, Example 10 | US10683287, Example 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 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 US10683287 (2020)

More data for this
Ligand-Target Pair
Beta-secretase (BACE)


(Homo sapiens (Human))		BDBM445521
PNG
(US10683287, Example 47)
Show SMILES Cc1cc2N(CC(F)F)CCc2nc1C(=O)Nc1ccc(F)c(n1)[C@]1(C)CO[C@](C)(C(N)=N1)C(F)(F)F
Show InChI InChI=1S/C23H24F6N6O2/c1-11-8-14-13(6-7-35(14)9-15(25)26)31-17(11)19(36)33-16-5-4-12(24)18(32-16)21(2)10-37-22(3,20(30)34-21)23(27,28)29/h4-5,8,15H,6-7,9-10H2,1-3H3,(H2,30,34)(H,32,33,36)/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-1 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...

US Patent US10683287 (2020)

More data for this
Ligand-Target Pair
Beta-secretase (BACE)


(Homo sapiens (Human))		BDBM445519
PNG
(US10683287, Example 45)
Show SMILES C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1nc(NC(=O)c2ncc(CC(F)F)nc2N)ccc1F
Show InChI InChI=1S/C19H19F6N7O2/c1-17(7-34-18(2,16(27)32-17)19(23,24)25)13-9(20)3-4-11(30-13)31-15(33)12-14(26)29-8(6-28-12)5-10(21)22/h3-4,6,10H,5,7H2,1-2H3,(H2,26,29)(H2,27,32)(H,30,31,33)/t17-,18+/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 US10683287 (2020)

More data for this
Ligand-Target Pair
Beta-secretase (BACE)


(Homo sapiens (Human))		BDBM445489
PNG
(US10683287, Example 15)
Show SMILES NC(=S)c1ccc(nc1)C(=O)Nc1cc(ccn1)C1(CF)COCC([NH3+])=N1
Show InChI InChI=1S/C17H17FN6O2S/c18-8-17(9-26-7-13(19)24-17)11-3-4-21-14(5-11)23-16(25)12-2-1-10(6-22-12)15(20)27/h1-6H,7-9H2,(H2,19,24)(H2,20,27)(H,21,23,25)/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 US10683287 (2020)

More data for this
Ligand-Target Pair
Beta-secretase (BACE)


(Homo sapiens (Human))		BDBM445522
PNG
(US10683287, Example 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/C23H25ClF4N6O3/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/h4-5,10H,6-9,11H2,1-3H3,(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 US10683287 (2020)

More data for this
Ligand-Target Pair
Beta-secretase (BACE)


(Homo sapiens (Human))		BDBM445489
PNG
(US10683287, Example 15)
Show SMILES NC(=S)c1ccc(nc1)C(=O)Nc1cc(ccn1)C1(CF)COCC([NH3+])=N1
Show InChI InChI=1S/C17H17FN6O2S/c18-8-17(9-26-7-13(19)24-17)11-3-4-21-14(5-11)23-16(25)12-2-1-10(6-22-12)15(20)27/h1-6H,7-9H2,(H2,19,24)(H2,20,27)(H,21,23,25)/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 US10683287 (2020)

More data for this
Ligand-Target Pair
Beta-secretase (BACE)


(Homo sapiens (Human))		BDBM445497
PNG
(US10683287, Example 23)
Show SMILES CC(F)(F)COc1cnc(C(=O)Nc2cccc(n2)[C@]2(C)CO[C@](C)(C(N)=N2)C(F)(F)F)c(N)n1
Show InChI InChI=1S/C20H22F5N7O3/c1-17(8-35-19(3,16(27)32-17)20(23,24)25)10-5-4-6-11(29-10)30-15(33)13-14(26)31-12(7-28-13)34-9-18(2,21)22/h4-7H,8-9H2,1-3H3,(H2,26,31)(H2,27,32)(H,29,30,33)/t17-,19+/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 US10683287 (2020)

More data for this
Ligand-Target Pair
Beta-secretase (BACE)


(Homo sapiens (Human))		BDBM445519
PNG
(US10683287, Example 45)
Show SMILES C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1nc(NC(=O)c2ncc(CC(F)F)nc2N)ccc1F
Show InChI InChI=1S/C19H19F6N7O2/c1-17(7-34-18(2,16(27)32-17)19(23,24)25)13-9(20)3-4-11(30-13)31-15(33)12-14(26)29-8(6-28-12)5-10(21)22/h3-4,6,10H,5,7H2,1-2H3,(H2,26,29)(H2,27,32)(H,30,31,33)/t17-,18+/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 US10683287 (2020)

More data for this
Ligand-Target Pair
Beta-secretase (BACE)


(Homo sapiens (Human))		BDBM116266
PNG
(US10035794, Example 43 | US10683287, Example 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 US10683287 (2020)

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