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USPatent US9296734

Compile Data Set for Download or QSAR

Found 722 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Beta-secretase 1


(Homo sapiens (Human))		BDBM214844
PNG
(US9296734, 45)
Show SMILES C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2cnc(OCC#C)cn2)ccc1F |r,c:6|
Show InChI InChI=1S/C20H17F4N5O3/c1-3-6-31-16-10-26-14(9-27-16)17(30)28-11-4-5-13(21)12(7-11)19(2)8-15(20(22,23)24)32-18(25)29-19/h1,4-5,7,9-10,15H,6,8H2,2H3,(H2,25,29)(H,28,30)/t15-,19-/m0/s1
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UniProtKB/SwissProt

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n/an/a 0.5n/an/an/an/an/a37



Amgen Inc.

US Patent


Assay Description
The cell-based assay measures inhibition or reduction of Aβ40 in conditioned medium of test compound treated cells expressing amyloid precursor ...

US Patent US9296734 (2016)


BindingDB Entry DOI: 10.7270/Q2DR2TB3
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM214839
PNG
(US9296734, 39)
Show SMILES CC#CCOc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(CF)C[C@H](OC(N)=N1)C(F)(F)F |r,c:30|
Show InChI InChI=1S/C21H18F5N5O3/c1-2-3-6-33-17-10-28-15(9-29-17)18(32)30-12-4-5-14(23)13(7-12)20(11-22)8-16(21(24,25)26)34-19(27)31-20/h4-5,7,9-10,16H,6,8,11H2,1H3,(H2,27,31)(H,30,32)/t16-,20+/m0/s1
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n/an/a 0.700n/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 US9296734 (2016)


BindingDB Entry DOI: 10.7270/Q2DR2TB3
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM214961
PNG
(US9296734, 155)
Show SMILES CC#CCOc1cnc(cn1)C(=O)Nc1cc(F)c(F)c(c1)[C@]1(CF)C[C@H](OC(N)=N1)C(F)(F)F |r,c:31|
Show InChI InChI=1S/C21H17F6N5O3/c1-2-3-4-34-16-9-29-14(8-30-16)18(33)31-11-5-12(17(24)13(23)6-11)20(10-22)7-15(21(25,26)27)35-19(28)32-20/h5-6,8-9,15H,4,7,10H2,1H3,(H2,28,32)(H,31,33)/t15-,20+/m0/s1
PDB
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n/an/a 0.870n/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 US9296734 (2016)


BindingDB Entry DOI: 10.7270/Q2DR2TB3
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM215026
PNG
(US9296734, 218)
Show SMILES Cc1cc(NC(=O)c2cnc(OCC#C)cn2)cc(c1F)[C@]1(CF)C[C@H](OC(N)=N1)C(F)(F)F |r,c:30|
Show InChI InChI=1S/C21H18F5N5O3/c1-3-4-33-16-9-28-14(8-29-16)18(32)30-12-5-11(2)17(23)13(6-12)20(10-22)7-15(21(24,25)26)34-19(27)31-20/h1,5-6,8-9,15H,4,7,10H2,2H3,(H2,27,31)(H,30,32)/t15-,20+/m0/s1
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n/an/a 1n/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 US9296734 (2016)


BindingDB Entry DOI: 10.7270/Q2DR2TB3
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM215020
PNG
(US9296734, 212)
Show SMILES C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2cnc(OCC#C)cn2)cc(Cl)c1F |r,c:6|
Show InChI InChI=1S/C20H16ClF4N5O3/c1-3-4-32-15-9-27-13(8-28-15)17(31)29-10-5-11(16(22)12(21)6-10)19(2)7-14(20(23,24)25)33-18(26)30-19/h1,5-6,8-9,14H,4,7H2,2H3,(H2,26,30)(H,29,31)/t14-,19-/m0/s1
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Amgen Inc.

US Patent


Assay Description
The cell-based assay measures inhibition or reduction of Aβ40 in conditioned medium of test compound treated cells expressing amyloid precursor ...

US Patent US9296734 (2016)


BindingDB Entry DOI: 10.7270/Q2DR2TB3
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM214960
PNG
(US9296734, 154)
Show SMILES NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(NC(=O)c2cnc(OCC#C)cn2)cc(F)c1F |r,t:1|
Show InChI InChI=1S/C20H15F6N5O3/c1-2-3-33-15-8-28-13(7-29-15)17(32)30-10-4-11(16(23)12(22)5-10)19(9-21)6-14(20(24,25)26)34-18(27)31-19/h1,4-5,7-8,14H,3,6,9H2,(H2,27,31)(H,30,32)/t14-,19+/m0/s1
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n/an/a 1.40n/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 US9296734 (2016)


BindingDB Entry DOI: 10.7270/Q2DR2TB3
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM214997
PNG
(US9296734, 190)
Show SMILES C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2cnc(OCC#C)cn2)cc(F)c1F |r,c:6|
Show InChI InChI=1S/C20H16F5N5O3/c1-3-4-32-15-9-27-13(8-28-15)17(31)29-10-5-11(16(22)12(21)6-10)19(2)7-14(20(23,24)25)33-18(26)30-19/h1,5-6,8-9,14H,4,7H2,2H3,(H2,26,30)(H,29,31)/t14-,19-/m0/s1
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n/an/a 2n/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 US9296734 (2016)


BindingDB Entry DOI: 10.7270/Q2DR2TB3
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM215020
PNG
(US9296734, 212)
Show SMILES C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2cnc(OCC#C)cn2)cc(Cl)c1F |r,c:6|
Show InChI InChI=1S/C20H16ClF4N5O3/c1-3-4-32-15-9-27-13(8-28-15)17(31)29-10-5-11(16(22)12(21)6-10)19(2)7-14(20(23,24)25)33-18(26)30-19/h1,5-6,8-9,14H,4,7H2,2H3,(H2,26,30)(H,29,31)/t14-,19-/m0/s1
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n/an/a<2n/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 US9296734 (2016)


BindingDB Entry DOI: 10.7270/Q2DR2TB3
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM214940
PNG
(US9296734, 218)
Show SMILES FC(F)[C@@]1(C[C@H](OC(NC(=O)c2ccccc2)=N1)C(F)(F)F)c1nc(NC(=O)c2ccc(Cl)cn2)ccc1F |r,c:17|
Show InChI InChI=1S/C24H16ClF6N5O3/c25-13-6-8-15(32-11-13)20(38)34-17-9-7-14(26)18(33-17)23(21(27)28)10-16(24(29,30)31)39-22(36-23)35-19(37)12-4-2-1-3-5-12/h1-9,11,16,21H,10H2,(H,33,34,38)(H,35,36,37)/t16-,23+/m0/s1
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n/an/a 2n/an/an/an/an/a37



Amgen Inc.

US Patent


Assay Description
The cell-based assay measures inhibition or reduction of Aβ40 in conditioned medium of test compound treated cells expressing amyloid precursor ...

US Patent US9296734 (2016)


BindingDB Entry DOI: 10.7270/Q2DR2TB3
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM214997
PNG
(US9296734, 190)
Show SMILES C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2cnc(OCC#C)cn2)cc(F)c1F |r,c:6|
Show InChI InChI=1S/C20H16F5N5O3/c1-3-4-32-15-9-27-13(8-28-15)17(31)29-10-5-11(16(22)12(21)6-10)19(2)7-14(20(23,24)25)33-18(26)30-19/h1,5-6,8-9,14H,4,7H2,2H3,(H2,26,30)(H,29,31)/t14-,19-/m0/s1
PDB
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n/an/a 2n/an/an/an/an/a37



Amgen Inc.

US Patent


Assay Description
The cell-based assay measures inhibition or reduction of Aβ40 in conditioned medium of test compound treated cells expressing amyloid precursor ...

US Patent US9296734 (2016)


BindingDB Entry DOI: 10.7270/Q2DR2TB3
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM214844
PNG
(US9296734, 45)
Show SMILES C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2cnc(OCC#C)cn2)ccc1F |r,c:6|
Show InChI InChI=1S/C20H17F4N5O3/c1-3-6-31-16-10-26-14(9-27-16)17(30)28-11-4-5-13(21)12(7-11)19(2)8-15(20(22,23)24)32-18(25)29-19/h1,4-5,7,9-10,15H,6,8H2,2H3,(H2,25,29)(H,28,30)/t15-,19-/m0/s1
PDB
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n/an/a 2.30n/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 US9296734 (2016)


BindingDB Entry DOI: 10.7270/Q2DR2TB3
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM214835
PNG
(US9296734, 35)
Show SMILES NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(NC(=O)c2cnc(OCC#C)cn2)ccc1F |r,t:1|
Show InChI InChI=1S/C20H16F5N5O3/c1-2-5-32-16-9-27-14(8-28-16)17(31)29-11-3-4-13(22)12(6-11)19(10-21)7-15(20(23,24)25)33-18(26)30-19/h1,3-4,6,8-9,15H,5,7,10H2,(H2,26,30)(H,29,31)/t15-,19+/m0/s1
PDB
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UniProtKB/SwissProt

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n/an/a 2.30n/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 US9296734 (2016)


BindingDB Entry DOI: 10.7270/Q2DR2TB3
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM214872
PNG
(US9296734, 73)
Show SMILES C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2cnc(OCC#C)cn2)cnc1F |r,c:6|
Show InChI InChI=1S/C19H16F4N6O3/c1-3-4-31-14-9-25-12(8-26-14)16(30)28-10-5-11(15(20)27-7-10)18(2)6-13(19(21,22)23)32-17(24)29-18/h1,5,7-9,13H,4,6H2,2H3,(H2,24,29)(H,28,30)/t13-,18-/m0/s1
PDB
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n/an/a 2.5n/an/an/an/an/a37



Amgen Inc.

US Patent


Assay Description
The cell-based assay measures inhibition or reduction of Aβ40 in conditioned medium of test compound treated cells expressing amyloid precursor ...

US Patent US9296734 (2016)


BindingDB Entry DOI: 10.7270/Q2DR2TB3
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM214992
PNG
(US9296734, 185)
Show SMILES C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ccc(cn2)[N+]#[C-])ccc1F |r,c:6|
Show InChI InChI=1S/C19H15F4N5O2/c1-18(8-15(19(21,22)23)30-17(24)28-18)12-7-10(3-5-13(12)20)27-16(29)14-6-4-11(25-2)9-26-14/h3-7,9,15H,8H2,1H3,(H2,24,28)(H,27,29)/t15-,18-/m0/s1
PDB
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n/an/a 2.5n/an/an/an/an/a37



Amgen Inc.

US Patent


Assay Description
The cell-based assay measures inhibition or reduction of Aβ40 in conditioned medium of test compound treated cells expressing amyloid precursor ...

US Patent US9296734 (2016)


BindingDB Entry DOI: 10.7270/Q2DR2TB3
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM214970
PNG
(US9296734, 163)
Show SMILES C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ccc(cn2)[N+]#[C-])cc(F)c1F |r,c:6|
Show InChI InChI=1S/C19H14F5N5O2/c1-18(7-14(19(22,23)24)31-17(25)29-18)11-5-10(6-12(20)15(11)21)28-16(30)13-4-3-9(26-2)8-27-13/h3-6,8,14H,7H2,1H3,(H2,25,29)(H,28,30)/t14-,18-/m0/s1
PDB
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n/an/a 2.80n/an/an/an/an/a37



Amgen Inc.

US Patent


Assay Description
The cell-based assay measures inhibition or reduction of Aβ40 in conditioned medium of test compound treated cells expressing amyloid precursor ...

US Patent US9296734 (2016)


BindingDB Entry DOI: 10.7270/Q2DR2TB3
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM214996
PNG
(US9296734, 189)
Show SMILES CC#CCOc1ccc(nc1)C(=O)Nc1cc(F)c(F)c(c1)[C@]1(C)C[C@H](OC(N)=N1)C(F)(F)F |r,c:30|
Show InChI InChI=1S/C22H19F5N4O3/c1-3-4-7-33-13-5-6-16(29-11-13)19(32)30-12-8-14(18(24)15(23)9-12)21(2)10-17(22(25,26)27)34-20(28)31-21/h5-6,8-9,11,17H,7,10H2,1-2H3,(H2,28,31)(H,30,32)/t17-,21-/m0/s1
PDB
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n/an/a 3n/an/an/an/an/a37



Amgen Inc.

US Patent


Assay Description
The cell-based assay measures inhibition or reduction of Aβ40 in conditioned medium of test compound treated cells expressing amyloid precursor ...

US Patent US9296734 (2016)


BindingDB Entry DOI: 10.7270/Q2DR2TB3
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM215016
PNG
(US9296734, 208)
Show SMILES COc1cnc(cn1)C(=O)Nc1cc(Cl)c(F)c(c1)[C@]1(C)C[C@H](OC(N)=N1)C(F)(F)F |r,c:27|
Show InChI InChI=1S/C18H16ClF4N5O3/c1-17(5-12(18(21,22)23)31-16(24)28-17)9-3-8(4-10(19)14(9)20)27-15(29)11-6-26-13(30-2)7-25-11/h3-4,6-7,12H,5H2,1-2H3,(H2,24,28)(H,27,29)/t12-,17-/m0/s1
PDB
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Amgen Inc.

US Patent


Assay Description
The cell-based assay measures inhibition or reduction of Aβ40 in conditioned medium of test compound treated cells expressing amyloid precursor ...

US Patent US9296734 (2016)


BindingDB Entry DOI: 10.7270/Q2DR2TB3
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM215011
PNG
(US9296734, 204)
Show SMILES C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2cnc(OCc3ncco3)cn2)cc(F)c1F |r,c:6|
Show InChI InChI=1S/C21H17F5N6O4/c1-20(6-14(21(24,25)26)36-19(27)32-20)11-4-10(5-12(22)17(11)23)31-18(33)13-7-30-15(8-29-13)35-9-16-28-2-3-34-16/h2-5,7-8,14H,6,9H2,1H3,(H2,27,32)(H,31,33)/t14-,20-/m0/s1
PDB
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Amgen Inc.

US Patent


Assay Description
The cell-based assay measures inhibition or reduction of Aβ40 in conditioned medium of test compound treated cells expressing amyloid precursor ...

US Patent US9296734 (2016)


BindingDB Entry DOI: 10.7270/Q2DR2TB3
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM214996
PNG
(US9296734, 189)
Show SMILES CC#CCOc1ccc(nc1)C(=O)Nc1cc(F)c(F)c(c1)[C@]1(C)C[C@H](OC(N)=N1)C(F)(F)F |r,c:30|
Show InChI InChI=1S/C22H19F5N4O3/c1-3-4-7-33-13-5-6-16(29-11-13)19(32)30-12-8-14(18(24)15(23)9-12)21(2)10-17(22(25,26)27)34-20(28)31-21/h5-6,8-9,11,17H,7,10H2,1-2H3,(H2,28,31)(H,30,32)/t17-,21-/m0/s1
PDB
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n/an/a 3n/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 US9296734 (2016)


BindingDB Entry DOI: 10.7270/Q2DR2TB3
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM214839
PNG
(US9296734, 39)
Show SMILES CC#CCOc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(CF)C[C@H](OC(N)=N1)C(F)(F)F |r,c:30|
Show InChI InChI=1S/C21H18F5N5O3/c1-2-3-6-33-17-10-28-15(9-29-17)18(32)30-12-4-5-14(23)13(7-12)20(11-22)8-16(21(24,25)26)34-19(27)31-20/h4-5,7,9-10,16H,6,8,11H2,1H3,(H2,27,31)(H,30,32)/t16-,20+/m0/s1
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n/an/a 3.20n/an/an/an/an/a37



Amgen Inc.

US Patent


Assay Description
The cell-based assay measures inhibition or reduction of Aβ40 in conditioned medium of test compound treated cells expressing amyloid precursor ...

US Patent US9296734 (2016)


BindingDB Entry DOI: 10.7270/Q2DR2TB3
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM214966
PNG
(US9296734, 160)
Show SMILES CC#CCOc1ccc(nc1)C(=O)Nc1cc(F)c(F)c(c1)[C@]1(CF)C[C@H](OC(N)=N1)C(F)(F)F |r,c:31|
Show InChI InChI=1S/C22H18F6N4O3/c1-2-3-6-34-13-4-5-16(30-10-13)19(33)31-12-7-14(18(25)15(24)8-12)21(11-23)9-17(22(26,27)28)35-20(29)32-21/h4-5,7-8,10,17H,6,9,11H2,1H3,(H2,29,32)(H,31,33)/t17-,21+/m0/s1
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n/an/a 3.5n/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 US9296734 (2016)


BindingDB Entry DOI: 10.7270/Q2DR2TB3
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM214961
PNG
(US9296734, 155)
Show SMILES CC#CCOc1cnc(cn1)C(=O)Nc1cc(F)c(F)c(c1)[C@]1(CF)C[C@H](OC(N)=N1)C(F)(F)F |r,c:31|
Show InChI InChI=1S/C21H17F6N5O3/c1-2-3-4-34-16-9-29-14(8-30-16)18(33)31-11-5-12(17(24)13(23)6-11)20(10-22)7-15(21(25,26)27)35-19(28)32-20/h5-6,8-9,15H,4,7,10H2,1H3,(H2,28,32)(H,31,33)/t15-,20+/m0/s1
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n/an/a 3.67n/an/an/an/an/a37



Amgen Inc.

US Patent


Assay Description
The cell-based assay measures inhibition or reduction of Aβ40 in conditioned medium of test compound treated cells expressing amyloid precursor ...

US Patent US9296734 (2016)


BindingDB Entry DOI: 10.7270/Q2DR2TB3
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM214881
PNG
(US9296734, 82)
Show SMILES C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1nc(NC(=O)c2ncc(cc2Cl)C#N)ccc1F |r,c:6|
Show InChI InChI=1S/C18H13ClF4N6O2/c1-17(5-11(18(21,22)23)31-16(25)29-17)14-10(20)2-3-12(27-14)28-15(30)13-9(19)4-8(6-24)7-26-13/h2-4,7,11H,5H2,1H3,(H2,25,29)(H,27,28,30)/t11-,17-/m0/s1
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n/an/a 4.5n/an/an/an/an/a37



Amgen Inc.

US Patent


Assay Description
The cell-based assay measures inhibition or reduction of Aβ40 in conditioned medium of test compound treated cells expressing amyloid precursor ...

US Patent US9296734 (2016)


BindingDB Entry DOI: 10.7270/Q2DR2TB3
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM214872
PNG
(US9296734, 73)
Show SMILES C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2cnc(OCC#C)cn2)cnc1F |r,c:6|
Show InChI InChI=1S/C19H16F4N6O3/c1-3-4-31-14-9-25-12(8-26-14)16(30)28-10-5-11(15(20)27-7-10)18(2)6-13(19(21,22)23)32-17(24)29-18/h1,5,7-9,13H,4,6H2,2H3,(H2,24,29)(H,28,30)/t13-,18-/m0/s1
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n/an/a 4.70n/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 US9296734 (2016)


BindingDB Entry DOI: 10.7270/Q2DR2TB3
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM214883
PNG
(US9296734, 84)
Show SMILES Cc1cc(cnc1C(=O)Nc1ccc(F)c(n1)[C@]1(C)C[C@H](OC(N)=N1)C(F)(F)F)C#N |r,c:25|
Show InChI InChI=1S/C19H16F4N6O2/c1-9-5-10(7-24)8-26-14(9)16(30)28-13-4-3-11(20)15(27-13)18(2)6-12(19(21,22)23)31-17(25)29-18/h3-5,8,12H,6H2,1-2H3,(H2,25,29)(H,27,28,30)/t12-,18-/m0/s1
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n/an/a 4.80n/an/an/an/an/a37



Amgen Inc.

US Patent


Assay Description
The cell-based assay measures inhibition or reduction of Aβ40 in conditioned medium of test compound treated cells expressing amyloid precursor ...

US Patent US9296734 (2016)


BindingDB Entry DOI: 10.7270/Q2DR2TB3
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM214826
PNG
(US9296734, 26 | US9296734, 60)
Show SMILES C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r,c:6|
Show InChI InChI=1S/C18H15ClF4N4O2/c1-17(7-14(18(21,22)23)29-16(24)27-17)11-6-10(3-4-12(11)20)26-15(28)13-5-2-9(19)8-25-13/h2-6,8,14H,7H2,1H3,(H2,24,27)(H,26,28)/t14-,17-/m0/s1
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n/an/a 4.90n/an/an/an/an/a37



Amgen Inc.

US Patent


Assay Description
The cell-based assay measures inhibition or reduction of Aβ40 in conditioned medium of test compound treated cells expressing amyloid precursor ...

US Patent US9296734 (2016)


BindingDB Entry DOI: 10.7270/Q2DR2TB3
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM214835
PNG
(US9296734, 35)
Show SMILES NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(NC(=O)c2cnc(OCC#C)cn2)ccc1F |r,t:1|
Show InChI InChI=1S/C20H16F5N5O3/c1-2-5-32-16-9-27-14(8-28-16)17(31)29-11-3-4-13(22)12(6-11)19(10-21)7-15(20(23,24)25)33-18(26)30-19/h1,3-4,6,8-9,15H,5,7,10H2,(H2,26,30)(H,29,31)/t15-,19+/m0/s1
PDB
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n/an/a 5.10n/an/an/an/an/a37



Amgen Inc.

US Patent


Assay Description
The cell-based assay measures inhibition or reduction of Aβ40 in conditioned medium of test compound treated cells expressing amyloid precursor ...

US Patent US9296734 (2016)


BindingDB Entry DOI: 10.7270/Q2DR2TB3
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM214971
PNG
(US9296734, 164)
Show SMILES C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ccc(Cl)cn2)cc(F)c1F |r,c:6|
Show InChI InChI=1S/C18H14ClF5N4O2/c1-17(6-13(18(22,23)24)30-16(25)28-17)10-4-9(5-11(20)14(10)21)27-15(29)12-3-2-8(19)7-26-12/h2-5,7,13H,6H2,1H3,(H2,25,28)(H,27,29)/t13-,17-/m0/s1
PDB
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n/an/a 5.20n/an/an/an/an/a37



Amgen Inc.

US Patent


Assay Description
The cell-based assay measures inhibition or reduction of Aβ40 in conditioned medium of test compound treated cells expressing amyloid precursor ...

US Patent US9296734 (2016)


BindingDB Entry DOI: 10.7270/Q2DR2TB3
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM214974
PNG
(US9296734, 167)
Show SMILES C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ncc(cc2Cl)C#N)cc(F)c1F |r,c:6|
Show InChI InChI=1S/C19H13ClF5N5O2/c1-18(5-13(19(23,24)25)32-17(27)30-18)10-3-9(4-12(21)14(10)22)29-16(31)15-11(20)2-8(6-26)7-28-15/h2-4,7,13H,5H2,1H3,(H2,27,30)(H,29,31)/t13-,18-/m0/s1
PDB
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n/an/a 5.70n/an/an/an/an/a37



Amgen Inc.

US Patent


Assay Description
The cell-based assay measures inhibition or reduction of Aβ40 in conditioned medium of test compound treated cells expressing amyloid precursor ...

US Patent US9296734 (2016)


BindingDB Entry DOI: 10.7270/Q2DR2TB3
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM215011
PNG
(US9296734, 204)
Show SMILES C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2cnc(OCc3ncco3)cn2)cc(F)c1F |r,c:6|
Show InChI InChI=1S/C21H17F5N6O4/c1-20(6-14(21(24,25)26)36-19(27)32-20)11-4-10(5-12(22)17(11)23)31-18(33)13-7-30-15(8-29-13)35-9-16-28-2-3-34-16/h2-5,7-8,14H,6,9H2,1H3,(H2,27,32)(H,31,33)/t14-,20-/m0/s1
PDB
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n/an/a 6n/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 US9296734 (2016)


BindingDB Entry DOI: 10.7270/Q2DR2TB3
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM214995
PNG
(US9296734, 188)
Show SMILES CC#CCOc1cnc(C(=O)Nc2cc(F)c(F)c(c2)[C@]2(C)C[C@H](OC(N)=N2)C(F)(F)F)c(C)c1 |r,c:27|
Show InChI InChI=1S/C23H21F5N4O3/c1-4-5-6-34-14-7-12(2)19(30-11-14)20(33)31-13-8-15(18(25)16(24)9-13)22(3)10-17(23(26,27)28)35-21(29)32-22/h7-9,11,17H,6,10H2,1-3H3,(H2,29,32)(H,31,33)/t17-,22-/m0/s1
PDB
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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 US9296734 (2016)


BindingDB Entry DOI: 10.7270/Q2DR2TB3
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM215047
PNG
(US9296734, 238)
Show SMILES C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ccc(cn2)C#N)cc(F)c1Cl |r,c:6|
Show InChI InChI=1S/C19H14ClF4N5O2/c1-18(6-14(19(22,23)24)31-17(26)29-18)11-4-10(5-12(21)15(11)20)28-16(30)13-3-2-9(7-25)8-27-13/h2-5,8,14H,6H2,1H3,(H2,26,29)(H,28,30)/t14-,18-/m0/s1
PDB
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n/an/a 6n/an/an/an/an/a37



Amgen Inc.

US Patent


Assay Description
The cell-based assay measures inhibition or reduction of Aβ40 in conditioned medium of test compound treated cells expressing amyloid precursor ...

US Patent US9296734 (2016)


BindingDB Entry DOI: 10.7270/Q2DR2TB3
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM214975
PNG
(US9296734, 168)
Show SMILES COc1cc(cnc1C(=O)Nc1cc(F)c(F)c(c1)[C@]1(C)C[C@H](OC(N)=N1)C(F)(F)F)C#N |r,c:27|
Show InChI InChI=1S/C20H16F5N5O3/c1-19(6-14(20(23,24)25)33-18(27)30-19)11-4-10(5-12(21)15(11)22)29-17(31)16-13(32-2)3-9(7-26)8-28-16/h3-5,8,14H,6H2,1-2H3,(H2,27,30)(H,29,31)/t14-,19-/m0/s1
PDB
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n/an/a 6.10n/an/an/an/an/a37



Amgen Inc.

US Patent


Assay Description
The cell-based assay measures inhibition or reduction of Aβ40 in conditioned medium of test compound treated cells expressing amyloid precursor ...

US Patent US9296734 (2016)


BindingDB Entry DOI: 10.7270/Q2DR2TB3
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM214982
PNG
(US9296734, 175)
Show SMILES C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ccc(Br)cn2)cc(F)c1F |r,c:6|
Show InChI InChI=1S/C18H14BrF5N4O2/c1-17(6-13(18(22,23)24)30-16(25)28-17)10-4-9(5-11(20)14(10)21)27-15(29)12-3-2-8(19)7-26-12/h2-5,7,13H,6H2,1H3,(H2,25,28)(H,27,29)/t13-,17-/m0/s1
PDB
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n/an/a 6.60n/an/an/an/an/a37



Amgen Inc.

US Patent


Assay Description
The cell-based assay measures inhibition or reduction of Aβ40 in conditioned medium of test compound treated cells expressing amyloid precursor ...

US Patent US9296734 (2016)


BindingDB Entry DOI: 10.7270/Q2DR2TB3
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM214973
PNG
(US9296734, 166)
Show SMILES Cc1cc(cnc1C(=O)Nc1cc(F)c(F)c(c1)[C@]1(C)C[C@H](OC(N)=N1)C(F)(F)F)C#N |r,c:26|
Show InChI InChI=1S/C20H16F5N5O2/c1-9-3-10(7-26)8-28-16(9)17(31)29-11-4-12(15(22)13(21)5-11)19(2)6-14(20(23,24)25)32-18(27)30-19/h3-5,8,14H,6H2,1-2H3,(H2,27,30)(H,29,31)/t14-,19-/m0/s1
PDB
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n/an/a 6.80n/an/an/an/an/a37



Amgen Inc.

US Patent


Assay Description
The cell-based assay measures inhibition or reduction of Aβ40 in conditioned medium of test compound treated cells expressing amyloid precursor ...

US Patent US9296734 (2016)


BindingDB Entry DOI: 10.7270/Q2DR2TB3
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM215003
PNG
(US9296734, 196)
Show SMILES C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2nn(cc2Cl)C(F)F)cc(F)c1F |r,c:6|
Show InChI InChI=1S/C17H13ClF7N5O2/c1-16(4-10(17(23,24)25)32-15(26)28-16)7-2-6(3-9(19)11(7)20)27-13(31)12-8(18)5-30(29-12)14(21)22/h2-3,5,10,14H,4H2,1H3,(H2,26,28)(H,27,31)/t10-,16-/m0/s1
PDB
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n/an/a 7n/an/an/an/an/a37



Amgen Inc.

US Patent


Assay Description
The cell-based assay measures inhibition or reduction of Aβ40 in conditioned medium of test compound treated cells expressing amyloid precursor ...

US Patent US9296734 (2016)


BindingDB Entry DOI: 10.7270/Q2DR2TB3
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM215032
PNG
(US9296734, 224)
Show SMILES Cc1cc(NC(=O)c2ccc(Cl)cn2)cc(c1F)[C@]1(CF)C[C@H](OC(N)=N1)C(F)(F)F |r,c:27|
Show InChI InChI=1S/C19H16ClF5N4O2/c1-9-4-11(28-16(30)13-3-2-10(20)7-27-13)5-12(15(9)22)18(8-21)6-14(19(23,24)25)31-17(26)29-18/h2-5,7,14H,6,8H2,1H3,(H2,26,29)(H,28,30)/t14-,18+/m0/s1
PDB
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n/an/a 7n/an/an/an/an/a37



Amgen Inc.

US Patent


Assay Description
The cell-based assay measures inhibition or reduction of Aβ40 in conditioned medium of test compound treated cells expressing amyloid precursor ...

US Patent US9296734 (2016)


BindingDB Entry DOI: 10.7270/Q2DR2TB3
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM214803
PNG
(US9296734, 4)
Show SMILES Cc1cc(Cl)cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(CF)C[C@H](OC(N)=N1)C(F)(F)F |r,c:27|
Show InChI InChI=1S/C19H16ClF5N4O2/c1-9-4-10(20)7-27-15(9)16(30)28-11-2-3-13(22)12(5-11)18(8-21)6-14(19(23,24)25)31-17(26)29-18/h2-5,7,14H,6,8H2,1H3,(H2,26,29)(H,28,30)/t14-,18+/m0/s1
PDB
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n/an/a 8n/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 US9296734 (2016)


BindingDB Entry DOI: 10.7270/Q2DR2TB3
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM215022
PNG
(US9296734, 214)
Show SMILES C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2cnc(OCC(F)(F)F)cn2)cc(Cl)c1F |r,c:6|
Show InChI InChI=1S/C19H15ClF7N5O3/c1-17(4-12(19(25,26)27)35-16(28)32-17)9-2-8(3-10(20)14(9)21)31-15(33)11-5-30-13(6-29-11)34-7-18(22,23)24/h2-3,5-6,12H,4,7H2,1H3,(H2,28,32)(H,31,33)/t12-,17-/m0/s1
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n/an/a 8n/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 US9296734 (2016)


BindingDB Entry DOI: 10.7270/Q2DR2TB3
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM215047
PNG
(US9296734, 238)
Show SMILES C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ccc(cn2)C#N)cc(F)c1Cl |r,c:6|
Show InChI InChI=1S/C19H14ClF4N5O2/c1-18(6-14(19(22,23)24)31-17(26)29-18)11-4-10(5-12(21)15(11)20)28-16(30)13-3-2-9(7-25)8-27-13/h2-5,8,14H,6H2,1H3,(H2,26,29)(H,28,30)/t14-,18-/m0/s1
PDB
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n/an/a 8n/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 US9296734 (2016)


BindingDB Entry DOI: 10.7270/Q2DR2TB3
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM214886
PNG
(US9296734, 87)
Show SMILES C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1nc(NC(=O)c2cnc(OCC#C)cn2)ccc1F |r,c:6|
Show InChI InChI=1S/C19H16F4N6O3/c1-3-6-31-14-9-25-11(8-26-14)16(30)28-13-5-4-10(20)15(27-13)18(2)7-12(19(21,22)23)32-17(24)29-18/h1,4-5,8-9,12H,6-7H2,2H3,(H2,24,29)(H,27,28,30)/t12-,18-/m0/s1
PDB
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n/an/a 8.40n/an/an/an/an/a37



Amgen Inc.

US Patent


Assay Description
The cell-based assay measures inhibition or reduction of Aβ40 in conditioned medium of test compound treated cells expressing amyloid precursor ...

US Patent US9296734 (2016)


BindingDB Entry DOI: 10.7270/Q2DR2TB3
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM214891
PNG
(US9296734, 169)
Show SMILES CC1OB(OC1(C)C)c1ccc(F)c(c1)[C@]1(CF)C[C@H](OC(NC(=O)c2ccccc2)=N1)C(F)(F)F |r,c:33|
Show InChI InChI=1S/C24H24BF5N2O4/c1-14-22(2,3)36-25(35-14)16-9-10-18(27)17(11-16)23(13-26)12-19(24(28,29)30)34-21(32-23)31-20(33)15-7-5-4-6-8-15/h4-11,14,19H,12-13H2,1-3H3,(H,31,32,33)/t14?,19-,23+/m0/s1
PDB
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n/an/a 8.90n/an/an/an/an/a37



Amgen Inc.

US Patent


Assay Description
The cell-based assay measures inhibition or reduction of Aβ40 in conditioned medium of test compound treated cells expressing amyloid precursor ...

US Patent US9296734 (2016)


BindingDB Entry DOI: 10.7270/Q2DR2TB3
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM214828
PNG
(US9296734, 28)
Show SMILES C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ccc(OCC#C)cn2)ccc1F |r,c:6|
Show InChI InChI=1S/C21H18F4N4O3/c1-3-8-31-13-5-7-16(27-11-13)18(30)28-12-4-6-15(22)14(9-12)20(2)10-17(21(23,24)25)32-19(26)29-20/h1,4-7,9,11,17H,8,10H2,2H3,(H2,26,29)(H,28,30)/t17-,20-/m0/s1
PDB
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n/an/a 9.30n/an/an/an/an/a37



Amgen Inc.

US Patent


Assay Description
The cell-based assay measures inhibition or reduction of Aβ40 in conditioned medium of test compound treated cells expressing amyloid precursor ...

US Patent US9296734 (2016)


BindingDB Entry DOI: 10.7270/Q2DR2TB3
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM214977
PNG
(US9296734, 170)
Show SMILES Cc1cc(Cl)cnc1C(=O)Nc1cc(F)c(F)c(c1)[C@]1(C)C[C@H](OC(N)=N1)C(F)(F)F |r,c:27|
Show InChI InChI=1S/C19H16ClF5N4O2/c1-8-3-9(20)7-27-15(8)16(30)28-10-4-11(14(22)12(21)5-10)18(2)6-13(19(23,24)25)31-17(26)29-18/h3-5,7,13H,6H2,1-2H3,(H2,26,29)(H,28,30)/t13-,18-/m0/s1
PDB
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n/an/a 9.5n/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 US9296734 (2016)


BindingDB Entry DOI: 10.7270/Q2DR2TB3
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM214960
PNG
(US9296734, 154)
Show SMILES NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(NC(=O)c2cnc(OCC#C)cn2)cc(F)c1F |r,t:1|
Show InChI InChI=1S/C20H15F6N5O3/c1-2-3-33-15-8-28-13(7-29-15)17(32)30-10-4-11(16(23)12(22)5-10)19(9-21)6-14(20(24,25)26)34-18(27)31-19/h1,4-5,7-8,14H,3,6,9H2,(H2,27,31)(H,30,32)/t14-,19+/m0/s1
PDB
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n/an/a 9.60n/an/an/an/an/a37



Amgen Inc.

US Patent


Assay Description
The cell-based assay measures inhibition or reduction of Aβ40 in conditioned medium of test compound treated cells expressing amyloid precursor ...

US Patent US9296734 (2016)


BindingDB Entry DOI: 10.7270/Q2DR2TB3
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM214972
PNG
(US9296734, 165)
Show SMILES COc1cnc(cn1)C(=O)Nc1cc(F)c(F)c(c1)[C@]1(C)C[C@H](OC(N)=N1)C(F)(F)F |r,c:27|
Show InChI InChI=1S/C18H16F5N5O3/c1-17(5-12(18(21,22)23)31-16(24)28-17)9-3-8(4-10(19)14(9)20)27-15(29)11-6-26-13(30-2)7-25-11/h3-4,6-7,12H,5H2,1-2H3,(H2,24,28)(H,27,29)/t12-,17-/m0/s1
PDB
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n/an/a 9.80n/an/an/an/an/a37



Amgen Inc.

US Patent


Assay Description
The cell-based assay measures inhibition or reduction of Aβ40 in conditioned medium of test compound treated cells expressing amyloid precursor ...

US Patent US9296734 (2016)


BindingDB Entry DOI: 10.7270/Q2DR2TB3
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM214887
PNG
(US9296734, 88)
Show SMILES C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1nc(NC(=O)c2nn(cc2Cl)C(F)F)ccc1F |r,c:6|
Show InChI InChI=1S/C16H13ClF6N6O2/c1-15(4-8(16(21,22)23)31-14(24)27-15)11-7(18)2-3-9(25-11)26-12(30)10-6(17)5-29(28-10)13(19)20/h2-3,5,8,13H,4H2,1H3,(H2,24,27)(H,25,26,30)/t8-,15-/m0/s1
PDB
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n/an/a 10n/an/an/an/an/a37



Amgen Inc.

US Patent


Assay Description
The cell-based assay measures inhibition or reduction of Aβ40 in conditioned medium of test compound treated cells expressing amyloid precursor ...

US Patent US9296734 (2016)


BindingDB Entry DOI: 10.7270/Q2DR2TB3
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM215021
PNG
(US9296734, 213)
Show SMILES C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ccc(Br)cn2)cc(Cl)c1F |r,c:6|
Show InChI InChI=1S/C18H14BrClF4N4O2/c1-17(6-13(18(22,23)24)30-16(25)28-17)10-4-9(5-11(20)14(10)21)27-15(29)12-3-2-8(19)7-26-12/h2-5,7,13H,6H2,1H3,(H2,25,28)(H,27,29)/t13-,17-/m0/s1
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n/an/a 10n/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 US9296734 (2016)


BindingDB Entry DOI: 10.7270/Q2DR2TB3
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM214851
PNG
(US9296734, 52)
Show SMILES NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(NC(=O)c2ccc(Br)cn2)ccc1F |r,t:1|
Show InChI InChI=1S/C18H14BrF5N4O2/c19-9-1-4-13(26-7-9)15(29)27-10-2-3-12(21)11(5-10)17(8-20)6-14(18(22,23)24)30-16(25)28-17/h1-5,7,14H,6,8H2,(H2,25,28)(H,27,29)/t14-,17+/m0/s1
PDB
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n/an/a 10n/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 US9296734 (2016)


BindingDB Entry DOI: 10.7270/Q2DR2TB3
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM215012
PNG
(US9296734, 205)
Show SMILES C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ncc(Cl)cc2F)cc(F)c1F |r,c:6|
Show InChI InChI=1S/C18H13ClF6N4O2/c1-17(5-12(18(23,24)25)31-16(26)29-17)9-3-8(4-10(20)13(9)22)28-15(30)14-11(21)2-7(19)6-27-14/h2-4,6,12H,5H2,1H3,(H2,26,29)(H,28,30)/t12-,17-/m0/s1
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n/an/a 10n/an/an/an/an/a37



Amgen Inc.

US Patent


Assay Description
The cell-based assay measures inhibition or reduction of Aβ40 in conditioned medium of test compound treated cells expressing amyloid precursor ...

US Patent US9296734 (2016)


BindingDB Entry DOI: 10.7270/Q2DR2TB3
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%