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Patent code US9771379

Compile Data Set for Download or QSAR
Found 28 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))
BDBM342446
PNG
(N-{2-[(4aR,6R,8aR)-2- amino-6-(trifluoromethyl)- 4...)
Show SMILES Cc1cc(cnc1C(=O)Nc1csc(n1)[C@]12CO[C@H](C[C@H]1COC(N)=N2)C(F)(F)F)C#N
Show InChI InChI=1S/C19H17F3N6O3S/c1-9-2-10(4-23)5-25-14(9)15(29)26-13-7-32-16(27-13)18-8-31-12(19(20,21)22)3-11(18)6-30-17(24)28-18/h2,5,7,11-12H,3,6,8H2,1H3,(H2,24,28)(H,26,29)/t11-,12+,18-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



PFIZER INC.

US Patent


Assay Description
The BACE1 binding assay measured beta-site amyloid precursor protein-cleaving enzyme (BACE) binding as a decrease in the counts of radioligand bound ...


US Patent US9771379 (2017)

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


(Homo sapiens (Human))
BDBM342447
PNG
(N-{2-[(4aR,6R,8aR)-2- amino-6-(trifluoromethyl)- 4...)
Show SMILES Cc1nc(OC(F)F)cnc1C(=O)Nc1csc(n1)[C@]12CO[C@H](C[C@H]1COC(N)=N2)C(F)(F)F
Show InChI InChI=1S/C18H17F5N6O4S/c1-7-12(25-3-11(26-7)33-15(19)20)13(30)27-10-5-34-14(28-10)17-6-32-9(18(21,22)23)2-8(17)4-31-16(24)29-17/h3,5,8-9,15H,2,4,6H2,1H3,(H2,24,29)(H,27,30)/t8-,9+,17-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



PFIZER INC.

US Patent


Assay Description
The BACE1 binding assay measured beta-site amyloid precursor protein-cleaving enzyme (BACE) binding as a decrease in the counts of radioligand bound ...


US Patent US9771379 (2017)

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


(Homo sapiens (Human))
BDBM342449
PNG
(N-{2-[(4aR,6R,8aR)-2- amino-6-(trifluoromethyl)- 4...)
Show SMILES NC1=N[C@]2(CO[C@H](C[C@H]2CO1)C(F)(F)F)c1nc(NC(=O)c2ccc(cn2)C#N)cs1
Show InChI InChI=1S/C18H15F3N6O3S/c19-18(20,21)12-3-10-6-29-16(23)27-17(10,8-30-12)15-26-13(7-31-15)25-14(28)11-2-1-9(4-22)5-24-11/h1-2,5,7,10,12H,3,6,8H2,(H2,23,27)(H,25,28)/t10-,12+,17-/m0/s1
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n/an/a 27n/an/an/an/an/an/a



PFIZER INC.

US Patent


Assay Description
The BACE1 binding assay measured beta-site amyloid precursor protein-cleaving enzyme (BACE) binding as a decrease in the counts of radioligand bound ...


US Patent US9771379 (2017)

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


(Homo sapiens (Human))
BDBM342424
PNG
(N-(2-((5aR,7S,9aR)-2-amino-7-methyl-5,5a,6,7-tetra...)
Show SMILES C[C@H]1C[C@H]2CCOC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ncc(OC(F)F)cc2C)cs1
Show InChI InChI=1S/C20H23F2N5O4S/c1-10-5-13(31-18(21)22)7-24-15(10)16(28)25-14-8-32-17(26-14)20-9-30-11(2)6-12(20)3-4-29-19(23)27-20/h5,7-8,11-12,18H,3-4,6,9H2,1-2H3,(H2,23,27)(H,25,28)/t11-,12+,20-/m0/s1
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n/an/a 71n/an/an/an/an/an/a



PFIZER INC.

US Patent


Assay Description
A synthetic APP substrate that can be cleaved by beta-secretase having N-terminal biotin and made fluorescent by the covalent attachment of Oregon Gr...


US Patent US9771379 (2017)

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


(Homo sapiens (Human))
BDBM342422
PNG
(N-(2-((4aR,6S,8aR)-2-amino-6-methyl-4,4a,5,6-tetra...)
Show SMILES C[C@H]1C[C@H]2COC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ncc(OC(F)F)cc2C)cs1
Show InChI InChI=1S/C19H21F2N5O4S/c1-9-3-12(30-17(20)21)5-23-14(9)15(27)24-13-7-31-16(25-13)19-8-29-10(2)4-11(19)6-28-18(22)26-19/h3,5,7,10-11,17H,4,6,8H2,1-2H3,(H2,22,26)(H,24,27)/t10-,11-,19-/m0/s1
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n/an/a 85n/an/an/an/an/an/a



PFIZER INC.

US Patent


Assay Description
A synthetic APP substrate that can be cleaved by beta-secretase having N-terminal biotin and made fluorescent by the covalent attachment of Oregon Gr...


US Patent US9771379 (2017)

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


(Homo sapiens (Human))
BDBM342426
PNG
(N-(2-((4S,4aR,6S,8aR)-2-amino-6-methyl-4-(trifluor...)
Show SMILES C[C@H]1C[C@H]2[C@H](OC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccc(OC(F)F)cn2)cs1)C(F)(F)F
Show InChI InChI=1S/C19H18F5N5O4S/c1-8-4-10-13(19(22,23)24)33-17(25)29-18(10,7-31-8)15-28-12(6-34-15)27-14(30)11-3-2-9(5-26-11)32-16(20)21/h2-3,5-6,8,10,13,16H,4,7H2,1H3,(H2,25,29)(H,27,30)/t8-,10-,13-,18-/m0/s1
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n/an/a 112n/an/an/an/an/an/a



PFIZER INC.

US Patent


Assay Description
A synthetic APP substrate that can be cleaved by beta-secretase having N-terminal biotin and made fluorescent by the covalent attachment of Oregon Gr...


US Patent US9771379 (2017)

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


(Homo sapiens (Human))
BDBM342421
PNG
(N-(2-((4aR,6S,8aR)-2-amino-6-methyl-4,4a,5,6-tetra...)
Show SMILES C[C@H]1C[C@H]2COC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ncc(OC(F)F)cc2Cl)cs1
Show InChI InChI=1S/C18H18ClF2N5O4S/c1-8-2-9-5-28-17(22)26-18(9,7-29-8)15-25-12(6-31-15)24-14(27)13-11(19)3-10(4-23-13)30-16(20)21/h3-4,6,8-9,16H,2,5,7H2,1H3,(H2,22,26)(H,24,27)/t8-,9-,18-/m0/s1
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n/an/a 123n/an/an/an/an/an/a



PFIZER INC.

US Patent


Assay Description
A synthetic APP substrate that can be cleaved by beta-secretase having N-terminal biotin and made fluorescent by the covalent attachment of Oregon Gr...


US Patent US9771379 (2017)

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


(Homo sapiens (Human))
BDBM342445
PNG
(N-{2-[(4aR,6R,8aR)-2- amino-6-(trifluoromethyl)- 4...)
Show SMILES NC1=N[C@]2(CO[C@H](C[C@H]2CO1)C(F)(F)F)c1nc(NC(=O)c2cnc(OC(F)F)cn2)cs1
Show InChI InChI=1S/C17H15F5N6O4S/c18-14(19)32-11-3-24-8(2-25-11)12(29)26-10-5-33-13(27-10)16-6-31-9(17(20,21)22)1-7(16)4-30-15(23)28-16/h2-3,5,7,9,14H,1,4,6H2,(H2,23,28)(H,26,29)/t7-,9+,16-/m0/s1
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n/an/a 124n/an/an/an/an/an/a



PFIZER INC.

US Patent


Assay Description
The BACE1 binding assay measured beta-site amyloid precursor protein-cleaving enzyme (BACE) binding as a decrease in the counts of radioligand bound ...


US Patent US9771379 (2017)

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


(Homo sapiens (Human))
BDBM342423
PNG
(N-(2-((5aR,7S,9aR)-2-amino-7-methyl-5,5a,6,7-tetra...)
Show SMILES C[C@H]1C[C@H]2CCOC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccc(OC(F)F)cn2)cs1
Show InChI InChI=1S/C19H21F2N5O4S/c1-10-6-11-4-5-28-18(22)26-19(11,9-29-10)16-25-14(8-31-16)24-15(27)13-3-2-12(7-23-13)30-17(20)21/h2-3,7-8,10-11,17H,4-6,9H2,1H3,(H2,22,26)(H,24,27)/t10-,11+,19-/m0/s1
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n/an/a 146n/an/an/an/an/an/a



PFIZER INC.

US Patent


Assay Description
A synthetic APP substrate that can be cleaved by beta-secretase having N-terminal biotin and made fluorescent by the covalent attachment of Oregon Gr...


US Patent US9771379 (2017)

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


(Homo sapiens (Human))
BDBM342432
PNG
(N-(2-((4aR,6R,8aR)-2- amino-6-(trifluoromethyl)- 4...)
Show SMILES Cc1cc(OC(F)F)cnc1C(=O)Nc1csc(n1)[C@]12CO[C@H](C[C@H]1COC(N)=N2)C(F)(F)F
Show InChI InChI=1S/C19H18F5N5O4S/c1-8-2-10(33-16(20)21)4-26-13(8)14(30)27-12-6-34-15(28-12)18-7-32-11(19(22,23)24)3-9(18)5-31-17(25)29-18/h2,4,6,9,11,16H,3,5,7H2,1H3,(H2,25,29)(H,27,30)/t9-,11+,18-/m0/s1
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n/an/a 155n/an/an/an/an/an/a



PFIZER INC.

US Patent


Assay Description
A synthetic APP substrate that can be cleaved by beta-secretase having N-terminal biotin and made fluorescent by the covalent attachment of Oregon Gr...


US Patent US9771379 (2017)

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


(Homo sapiens (Human))
BDBM342448
PNG
(N-{2-[(4aR,6R,8aR)-2- amino-6-(trifluoromethyl)- 4...)
Show SMILES COc1cnc(C(=O)Nc2csc(n2)[C@]23CO[C@H](C[C@H]2COC(N)=N3)C(F)(F)F)c(C)n1
Show InChI InChI=1S/C18H19F3N6O4S/c1-8-13(23-4-12(24-8)29-2)14(28)25-11-6-32-15(26-11)17-7-31-10(18(19,20)21)3-9(17)5-30-16(22)27-17/h4,6,9-10H,3,5,7H2,1-2H3,(H2,22,27)(H,25,28)/t9-,10+,17-/m0/s1
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PFIZER INC.

US Patent


Assay Description
The BACE1 binding assay measured beta-site amyloid precursor protein-cleaving enzyme (BACE) binding as a decrease in the counts of radioligand bound ...


US Patent US9771379 (2017)

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


(Homo sapiens (Human))
BDBM342438
PNG
(N-(2-((4aR,6R,8aR)-2- amino-6-(trifluoromethyl)- 4...)
Show SMILES NC1=N[C@]2(CO[C@H](C[C@H]2CO1)C(F)(F)F)c1nc(NC(=O)c2ncc(OC(F)F)cc2Cl)cs1
Show InChI InChI=1S/C18H15ClF5N5O4S/c19-9-2-8(33-15(20)21)3-26-12(9)13(30)27-11-5-34-14(28-11)17-6-32-10(18(22,23)24)1-7(17)4-31-16(25)29-17/h2-3,5,7,10,15H,1,4,6H2,(H2,25,29)(H,27,30)/t7-,10+,17-/m0/s1
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n/an/a 184n/an/an/an/an/an/a



PFIZER INC.

US Patent


Assay Description
A synthetic APP substrate that can be cleaved by beta-secretase having N-terminal biotin and made fluorescent by the covalent attachment of Oregon Gr...


US Patent US9771379 (2017)

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


(Homo sapiens (Human))
BDBM342444
PNG
(N-(2-((4a'R,8a'R)-2'-amino- 4a',5'-dihydro-4'H-spi...)
Show SMILES Cc1cc(cnc1C(=O)Nc1csc(n1)[C@]12COC3(CCC3)C[C@H]1COC(N)=N2)C#N
Show InChI InChI=1S/C21H22N6O3S/c1-12-5-13(7-22)8-24-16(12)17(28)25-15-10-31-18(26-15)21-11-30-20(3-2-4-20)6-14(21)9-29-19(23)27-21/h5,8,10,14H,2-4,6,9,11H2,1H3,(H2,23,27)(H,25,28)/t14-,21-/m0/s1
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PFIZER INC.

US Patent


Assay Description
A synthetic APP substrate that can be cleaved by beta-secretase having N-terminal biotin and made fluorescent by the covalent attachment of Oregon Gr...


US Patent US9771379 (2017)

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


(Homo sapiens (Human))
BDBM342420
PNG
(N-(2-((4aR,6S,8aR)-2-amino-6-methyl-4,4a,5,6-tetra...)
Show SMILES C[C@H]1C[C@H]2COC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccc(OC(F)F)cn2)cs1
Show InChI InChI=1S/C18H19F2N5O4S/c1-9-4-10-6-27-17(21)25-18(10,8-28-9)15-24-13(7-30-15)23-14(26)12-3-2-11(5-22-12)29-16(19)20/h2-3,5,7,9-10,16H,4,6,8H2,1H3,(H2,21,25)(H,23,26)/t9-,10-,18-/m0/s1
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PFIZER INC.

US Patent


Assay Description
A synthetic APP substrate that can be cleaved by beta-secretase having N-terminal biotin and made fluorescent by the covalent attachment of Oregon Gr...


US Patent US9771379 (2017)

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


(Homo sapiens (Human))
BDBM342425
PNG
(N-(2-((4S,4aR,6S,8aR)-2-amino-4-(fluoromethyl)-6-m...)
Show SMILES C[C@H]1C[C@H]2[C@@H](CF)OC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccc(OC(F)F)cn2)cs1
Show InChI InChI=1S/C19H20F3N5O4S/c1-9-4-11-13(5-20)31-18(23)27-19(11,8-29-9)16-26-14(7-32-16)25-15(28)12-3-2-10(6-24-12)30-17(21)22/h2-3,6-7,9,11,13,17H,4-5,8H2,1H3,(H2,23,27)(H,25,28)/t9-,11-,13+,19-/m0/s1
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PFIZER INC.

US Patent


Assay Description
A synthetic APP substrate that can be cleaved by beta-secretase having N-terminal biotin and made fluorescent by the covalent attachment of Oregon Gr...


US Patent US9771379 (2017)

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


(Homo sapiens (Human))
BDBM342430
PNG
(N-(2-((4aR,6R,8aR)-2- amino-6-(trifluoromethyl)- 4...)
Show SMILES NC1=N[C@]2(CO[C@H](C[C@H]2CO1)C(F)(F)F)c1nc(NC(=O)c2ccc(Cl)cn2)cs1
Show InChI InChI=1S/C17H15ClF3N5O3S/c18-9-1-2-10(23-4-9)13(27)24-12-6-30-14(25-12)16-7-29-11(17(19,20)21)3-8(16)5-28-15(22)26-16/h1-2,4,6,8,11H,3,5,7H2,(H2,22,26)(H,24,27)/t8-,11+,16-/m0/s1
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PFIZER INC.

US Patent


Assay Description
A synthetic APP substrate that can be cleaved by beta-secretase having N-terminal biotin and made fluorescent by the covalent attachment of Oregon Gr...


US Patent US9771379 (2017)

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


(Homo sapiens (Human))
BDBM342440
PNG
(Synthesis of N-(2-((4a′R,8a′R)-2′...)
Show SMILES Cc1cc(OC(F)F)cnc1C(=O)Nc1csc(n1)[C@]12COC3(CCC3)C[C@H]1COC(N)=N2
Show InChI InChI=1S/C21H23F2N5O4S/c1-11-5-13(32-18(22)23)7-25-15(11)16(29)26-14-9-33-17(27-14)21-10-31-20(3-2-4-20)6-12(21)8-30-19(24)28-21/h5,7,9,12,18H,2-4,6,8,10H2,1H3,(H2,24,28)(H,26,29)/t12-,21-/m0/s1
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PFIZER INC.

US Patent


Assay Description
A synthetic APP substrate that can be cleaved by beta-secretase having N-terminal biotin and made fluorescent by the covalent attachment of Oregon Gr...


US Patent US9771379 (2017)

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


(Homo sapiens (Human))
BDBM342435
PNG
(N-(2-((4aR,6R,8aR)-2- amino-6-(trifluoromethyl)- 4...)
Show SMILES NC1=N[C@]2(CO[C@H](C[C@H]2CO1)C(F)(F)F)c1nc(NC(=O)c2ccc(OC(F)F)cn2)cs1
Show InChI InChI=1S/C18H16F5N5O4S/c19-15(20)32-9-1-2-10(25-4-9)13(29)26-12-6-33-14(27-12)17-7-31-11(18(21,22)23)3-8(17)5-30-16(24)28-17/h1-2,4,6,8,11,15H,3,5,7H2,(H2,24,28)(H,26,29)/t8-,11+,17-/m0/s1
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n/an/a 371n/an/an/an/an/an/a



PFIZER INC.

US Patent


Assay Description
A synthetic APP substrate that can be cleaved by beta-secretase having N-terminal biotin and made fluorescent by the covalent attachment of Oregon Gr...


US Patent US9771379 (2017)

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


(Homo sapiens (Human))
BDBM342441
PNG
(N-(2-((4a'R,8a'R)-2'-amino- 4a',5'-dihydro-4'H-spi...)
Show SMILES NC1=N[C@]2(COC3(CCC3)C[C@H]2CO1)c1nc(NC(=O)c2ccc(cn2)C#N)cs1
Show InChI InChI=1S/C20H20N6O3S/c21-7-12-2-3-14(23-8-12)16(27)24-15-10-30-17(25-15)20-11-29-19(4-1-5-19)6-13(20)9-28-18(22)26-20/h2-3,8,10,13H,1,4-6,9,11H2,(H2,22,26)(H,24,27)/t13-,20-/m0/s1
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n/an/a 395n/an/an/an/an/an/a



PFIZER INC.

US Patent


Assay Description
A synthetic APP substrate that can be cleaved by beta-secretase having N-terminal biotin and made fluorescent by the covalent attachment of Oregon Gr...


US Patent US9771379 (2017)

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


(Homo sapiens (Human))
BDBM342428
PNG
(N-(2-((4aR,8aR)-2-amino-6,6-dimethyl-4,4a,5,6-tetr...)
Show SMILES Cc1cc(OC(F)F)cnc1C(=O)Nc1csc(n1)[C@]12COC(C)(C)C[C@H]1COC(N)=N2
Show InChI InChI=1S/C20H23F2N5O4S/c1-10-4-12(31-17(21)22)6-24-14(10)15(28)25-13-8-32-16(26-13)20-9-30-19(2,3)5-11(20)7-29-18(23)27-20/h4,6,8,11,17H,5,7,9H2,1-3H3,(H2,23,27)(H,25,28)/t11-,20-/m0/s1
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n/an/a 475n/an/an/an/an/an/a



PFIZER INC.

US Patent


Assay Description
A synthetic APP substrate that can be cleaved by beta-secretase having N-terminal biotin and made fluorescent by the covalent attachment of Oregon Gr...


US Patent US9771379 (2017)

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


(Homo sapiens (Human))
BDBM342443
PNG
(N-(2-((4a'R,8a'R)-2'-amino- 4a',5'-dihydro-4'H-spi...)
Show SMILES NC1=N[C@]2(COC3(CCC3)C[C@H]2CO1)c1nc(NC(=O)c2ncc(OC(F)F)cc2Cl)cs1
Show InChI InChI=1S/C20H20ClF2N5O4S/c21-12-4-11(32-17(22)23)6-25-14(12)15(29)26-13-8-33-16(27-13)20-9-31-19(2-1-3-19)5-10(20)7-30-18(24)28-20/h4,6,8,10,17H,1-3,5,7,9H2,(H2,24,28)(H,26,29)/t10-,20-/m0/s1
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n/an/a 561n/an/an/an/an/an/a



PFIZER INC.

US Patent


Assay Description
A synthetic APP substrate that can be cleaved by beta-secretase having N-terminal biotin and made fluorescent by the covalent attachment of Oregon Gr...


US Patent US9771379 (2017)

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


(Homo sapiens (Human))
BDBM342427
PNG
(N-(2-((4aR,8aR)-2-Amino-6,6-dimethyl-4,4a,5,6-tetr...)
Show SMILES CC1(C)C[C@H]2COC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccc(OC(F)F)cn2)cs1
Show InChI InChI=1S/C19H21F2N5O4S/c1-18(2)5-10-7-28-17(22)26-19(10,9-29-18)15-25-13(8-31-15)24-14(27)12-4-3-11(6-23-12)30-16(20)21/h3-4,6,8,10,16H,5,7,9H2,1-2H3,(H2,22,26)(H,24,27)/t10-,19-/m0/s1
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n/an/a 610n/an/an/an/an/an/a



PFIZER INC.

US Patent


Assay Description
A synthetic APP substrate that can be cleaved by beta-secretase having N-terminal biotin and made fluorescent by the covalent attachment of Oregon Gr...


US Patent US9771379 (2017)

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


(Homo sapiens (Human))
BDBM342439
PNG
(Synthesis of N-(2-((4a′R,8a′R)-2′...)
Show SMILES NC1=N[C@]2(COC3(CCC3)C[C@H]2CO1)c1nc(NC(=O)c2ccc(OC(F)F)cn2)cs1
Show InChI InChI=1S/C20H21F2N5O4S/c21-17(22)31-12-2-3-13(24-7-12)15(28)25-14-9-32-16(26-14)20-10-30-19(4-1-5-19)6-11(20)8-29-18(23)27-20/h2-3,7,9,11,17H,1,4-6,8,10H2,(H2,23,27)(H,25,28)/t11-,20-/m0/s1
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n/an/a 860n/an/an/an/an/an/a



PFIZER INC.

US Patent


Assay Description
A synthetic APP substrate that can be cleaved by beta-secretase having N-terminal biotin and made fluorescent by the covalent attachment of Oregon Gr...


US Patent US9771379 (2017)

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


(Homo sapiens (Human))
BDBM342442
PNG
(N-(2-((4a'R,8a'R)-2'-amino- 4a',5'-dihydro-4'H-spi...)
Show SMILES NC1=N[C@]2(COC3(CCC3)C[C@H]2CO1)c1nc(NC(=O)c2cnc(OC(F)F)cn2)cs1
Show InChI InChI=1S/C19H20F2N6O4S/c20-16(21)31-13-6-23-11(5-24-13)14(28)25-12-8-32-15(26-12)19-9-30-18(2-1-3-18)4-10(19)7-29-17(22)27-19/h5-6,8,10,16H,1-4,7,9H2,(H2,22,27)(H,25,28)/t10-,19-/m0/s1
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n/an/a 2.26E+3n/an/an/an/an/an/a



PFIZER INC.

US Patent


Assay Description
A synthetic APP substrate that can be cleaved by beta-secretase having N-terminal biotin and made fluorescent by the covalent attachment of Oregon Gr...


US Patent US9771379 (2017)

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


(Homo sapiens (Human))
BDBM342436
PNG
(N-(2-((4aS,6S,8aS)-2- amino-6-(trifluoromethyl)- 4...)
Show SMILES NC1=N[C@@]2(CO[C@@H](C[C@@H]2CO1)C(F)(F)F)c1nc(NC(=O)c2ncc(OC(F)F)cc2Cl)cs1
Show InChI InChI=1S/C18H15ClF5N5O4S/c19-9-2-8(33-15(20)21)3-26-12(9)13(30)27-11-5-34-14(28-11)17-6-32-10(18(22,23)24)1-7(17)4-31-16(25)29-17/h2-3,5,7,10,15H,1,4,6H2,(H2,25,29)(H,27,30)/t7-,10+,17-/m1/s1
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n/an/a 6.97E+3n/an/an/an/an/an/a



PFIZER INC.

US Patent


Assay Description
A synthetic APP substrate that can be cleaved by beta-secretase having N-terminal biotin and made fluorescent by the covalent attachment of Oregon Gr...


US Patent US9771379 (2017)

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


(Homo sapiens (Human))
BDBM342431
PNG
(N-(2-((4aS,6S,8aS)-2- amino-6-(trifluoromethyl)- 4...)
Show SMILES Cc1cc(OC(F)F)cnc1C(=O)Nc1csc(n1)[C@@]12CO[C@@H](C[C@@H]1COC(N)=N2)C(F)(F)F
Show InChI InChI=1S/C19H18F5N5O4S/c1-8-2-10(33-16(20)21)4-26-13(8)14(30)27-12-6-34-15(28-12)18-7-32-11(19(22,23)24)3-9(18)5-31-17(25)29-18/h2,4,6,9,11,16H,3,5,7H2,1H3,(H2,25,29)(H,27,30)/t9-,11+,18-/m1/s1
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n/an/a 1.08E+4n/an/an/an/an/an/a



PFIZER INC.

US Patent


Assay Description
A synthetic APP substrate that can be cleaved by beta-secretase having N-terminal biotin and made fluorescent by the covalent attachment of Oregon Gr...


US Patent US9771379 (2017)

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


(Homo sapiens (Human))
BDBM342433
PNG
(N-(2-((4aS,6S,8aS)-2- amino-6-(trifluoromethyl)- 4...)
Show SMILES NC1=N[C@@]2(CO[C@@H](C[C@@H]2CO1)C(F)(F)F)c1nc(NC(=O)c2ccc(OC(F)F)cn2)cs1
Show InChI InChI=1S/C18H16F5N5O4S/c19-15(20)32-9-1-2-10(25-4-9)13(29)26-12-6-33-14(27-12)17-7-31-11(18(21,22)23)3-8(17)5-30-16(24)28-17/h1-2,4,6,8,11,15H,3,5,7H2,(H2,24,28)(H,26,29)/t8-,11+,17-/m1/s1
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n/an/a 1.50E+4n/an/an/an/an/an/a



PFIZER INC.

US Patent


Assay Description
A synthetic APP substrate that can be cleaved by beta-secretase having N-terminal biotin and made fluorescent by the covalent attachment of Oregon Gr...


US Patent US9771379 (2017)

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


(Homo sapiens (Human))
BDBM342429
PNG
(N-(2-((4aS,6S,8aS)-2- amino-6-(trifluoromethyl)- 4...)
Show SMILES NC1=N[C@@]2(CO[C@@H](C[C@@H]2CO1)C(F)(F)F)c1nc(NC(=O)c2ccc(Cl)cn2)cs1
Show InChI InChI=1S/C17H15ClF3N5O3S/c18-9-1-2-10(23-4-9)13(27)24-12-6-30-14(25-12)16-7-29-11(17(19,20)21)3-8(16)5-28-15(22)26-16/h1-2,4,6,8,11H,3,5,7H2,(H2,22,26)(H,24,27)/t8-,11+,16-/m1/s1
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n/an/a 1.67E+4n/an/an/an/an/an/a



PFIZER INC.

US Patent


Assay Description
A synthetic APP substrate that can be cleaved by beta-secretase having N-terminal biotin and made fluorescent by the covalent attachment of Oregon Gr...


US Patent US9771379 (2017)

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