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25 similar compounds to monomer 186055

Compile data set for download or QSAR
Wt: 411.7
BDBM171691
Wt: 448.3
BDBM186050
Wt: 448.3
BDBM186051
Wt: 511.8
BDBM186052
Wt: 467.7
BDBM186053
Wt: 449.3
BDBM186054
Wt: 409.3
BDBM186059
Wt: 448.3
BDBM186060
Wt: 434.3
BDBM186063
Wt: 398.3
BDBM186064
Wt: 414.7
BDBM186065
Wt: 399.7
BDBM186066
Wt: 467.8
BDBM186067
Wt: 431.3
BDBM186068
Wt: 479.7
BDBM186070
Displayed 1 to 15 (of 25 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 42 hits for monomerid = 171691,186050,186051,186052,186053,186054,186059,186060,186063,186064,186065,186066,186067,186068,186070   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Beta-secretase 1


(Homo sapiens (Human))
BDBM171691
PNG
(US9085576, 321)
Show SMILES NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1nc(NC(=O)c2ccc(Cl)cn2)ccc1F
Show InChI InChI=1S/C17H13ClF3N5O2/c18-7-1-3-10(23-6-7)14(27)25-12-4-2-9(19)13(24-12)17(15(20)21)8-5-11(8)28-16(22)26-17/h1-4,6,8,11,15H,5H2,(H2,22,26)(H,24,25,27)/t8-,11+,17-/m0/s1
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n/an/a 339n/an/an/an/a4.2n/a



AMGEN INC.

US Patent


Assay Description
The assay buffer used in this screen is 0.05 M acetate, pH 4.2, 10% DMSO final, 100 uM genapol (which is a nonionic detergent, below its Critical Mic...


US Patent US9085576 (2015)


BindingDB Entry DOI: 10.7270/Q2CF9NWF
More data for this
Ligand-Target Pair
Beta amyloid A4 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
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 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
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))
BDBM186051
PNG
(US9163011, 5)
Show SMILES COCC[C@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(cc2C)C#N)ccc1F
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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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
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
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 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 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
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
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
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
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
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))
BDBM186063
PNG
(US9163011, 17)
Show SMILES C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(cc2N)C#CCO)ccc1F
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))
BDBM186064
PNG
(US9163011, 18)
Show SMILES C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(F)cc2N)ccc1F
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))
BDBM186065
PNG
(US9163011, 19)
Show SMILES C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(Cl)cc2N)ccc1F
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
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
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
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
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
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
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))
BDBM186070
PNG
(US9163011, 24)
Show SMILES C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(OCC(F)F)cc2Cl)ccc1F
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
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
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 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
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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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))
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
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))
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
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
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
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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US Patent
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 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
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))
BDBM186063
PNG
(US9163011, 17)
Show SMILES C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(cc2N)C#CCO)ccc1F
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 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
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 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
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
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
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 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
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))
BDBM186068
PNG
(US9163011, 22)
Show SMILES C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(nc2N)C(F)F)ccc1F
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))
BDBM186070
PNG
(US9163011, 24)
Show SMILES C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(OCC(F)F)cc2Cl)ccc1F
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 amyloid A4 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
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 amyloid A4 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
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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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 amyloid A4 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
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 amyloid A4 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
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 amyloid A4 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
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 amyloid A4 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
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 amyloid A4 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
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 amyloid A4 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
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 amyloid A4 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
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 amyloid A4 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
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 amyloid A4 protein


(Homo sapiens (Human))
BDBM186066
PNG
(US9163011, 20)
Show SMILES C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncccc2Cl)ccc1F
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
Beta amyloid A4 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
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
PDB
MMDB

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UniProtKB/SwissProt

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PC sid
UniChem

Similars

US Patent
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
Beta amyloid A4 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
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
PDB
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US Patent
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
Cathepsin D


(Homo sapiens (Human))
BDBM171691
PNG
(US9085576, 321)
Show SMILES NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1nc(NC(=O)c2ccc(Cl)cn2)ccc1F
Show InChI InChI=1S/C17H13ClF3N5O2/c18-7-1-3-10(23-6-7)14(27)25-12-4-2-9(19)13(24-12)17(15(20)21)8-5-11(8)28-16(22)26-17/h1-4,6,8,11,15H,5H2,(H2,22,26)(H,24,25,27)/t8-,11+,17-/m0/s1
PDB
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US Patent
n/an/a 2.13E+5n/an/an/an/a3.5n/a



AMGEN INC.

US Patent


Assay Description
Recombinant Cat D was expressed in CHO cells. The assay buffer for CathepsinD is 0.05 M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The Cat D enzyme ...


US Patent US9085576 (2015)


BindingDB Entry DOI: 10.7270/Q2CF9NWF
More data for this
Ligand-Target Pair