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Patent code US9918985

Compile Data Set for Download or QSAR
Found 181 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 (aa 1-460)


(Homo sapiens (Human))
BDBM376564
PNG
(US9918985, Example 20a Isomer 1)
Show SMILES CO[C@H]1CC[C@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cncc(c2)C#CC)CC1
Show InChI InChI=1/C26H28N4O/c1-4-5-18-12-21(16-28-15-18)19-6-7-20-14-25(10-8-22(31-3)9-11-25)26(23(20)13-19)29-17(2)24(27)30-26/h6-7,12-13,15-16,22H,8-11,14H2,1-3H3,(H2,27,30)/t22-,25+,26?
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n/an/a 0.570n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM50393100
PNG
(CHEMBL2152915 | US10231967, Example 125 | US991898...)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cc(Cl)cc(c2)C#N)CC1
Show InChI InChI=1/C25H25ClN4O/c1-15-23(28)30-25(29-15)22-12-17(19-9-16(14-27)10-20(26)11-19)3-4-18(22)13-24(25)7-5-21(31-2)6-8-24/h3-4,9-12,21H,5-8,13H2,1-2H3,(H2,28,30)/t21-,24-,25?
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n/an/a 0.630n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136800
PNG
(US10231967, Example 48-Isomer-5 | US8865911, 48 Is...)
Show SMILES CC1=N[C@]2(C[C@H](Oc3ccc(cc23)-c2cccc(Cl)c2)[C@@H]2CCCOC2)N=C1N
Show InChI InChI=1/C23H24ClN3O2/c1-14-22(25)27-23(26-14)12-21(17-5-3-9-28-13-17)29-20-8-7-16(11-19(20)23)15-4-2-6-18(24)10-15/h2,4,6-8,10-11,17,21H,3,5,9,12-13H2,1H3,(H2,25,27)/t17-,21+,23-/s2
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n/an/a 0.700n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136858
PNG
(US10231967, Example 93 | US8865911, 93 | US8865911...)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cc(Br)cc(c2)C#N)CC1
Show InChI InChI=1/C25H25BrN4O/c1-15-23(28)30-25(29-15)22-12-17(19-9-16(14-27)10-20(26)11-19)3-4-18(22)13-24(25)7-5-21(31-2)6-8-24/h3-4,9-12,21H,5-8,13H2,1-2H3,(H2,28,30)/t21-,24-,25?
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n/an/a 0.700n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136863
PNG
(US10231967, Example 100 | US8865911, 100 | US99189...)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cc(Cl)c(F)c(c2)C#N)CC1
Show InChI InChI=1/C25H24ClFN4O/c1-14-23(29)31-25(30-14)20-10-15(17-9-18(13-28)22(27)21(26)11-17)3-4-16(20)12-24(25)7-5-19(32-2)6-8-24/h3-4,9-11,19H,5-8,12H2,1-2H3,(H2,29,31)/t19-,24-,25-/s2
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n/an/a 0.720n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136856
PNG
(US10231967, Example 92-Isomer-1 | US8865911, 92 Is...)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@]22N=C(C)C(N)=N2)-c2cc(OC)cc(c2)C#N)CC1
Show InChI InChI=1/C26H28N4O2/c1-16-24(28)30-26(29-16)23-13-18(20-10-17(15-27)11-22(12-20)32-3)4-5-19(23)14-25(26)8-6-21(31-2)7-9-25/h4-5,10-13,21H,6-9,14H2,1-3H3,(H2,28,30)/t21-,25-,26-/s2
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n/an/a 0.840n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM50393102
PNG
(CHEMBL2152917 | US10231967, Example 20t | US886591...)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(OCC(C)C)cc3C22N=C(C)C(N)=N2)CC1
Show InChI InChI=1/C22H31N3O2/c1-14(2)13-27-18-6-5-16-12-21(9-7-17(26-4)8-10-21)22(19(16)11-18)24-15(3)20(23)25-22/h5-6,11,14,17H,7-10,12-13H2,1-4H3,(H2,23,25)/t17-,21-,22?
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n/an/a 0.890n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM369599
PNG
(3-[(1r,4r)-4″-Amino-4-(difluoromethoxy)-5...)
Show SMILES COc1cc(cc(c1)-c1ccc2C[C@@]3(CC[C@@H](CC3)OC(F)F)C3(N=C(C)C(N)=N3)c2c1)C#N
Show InChI InChI=1/C26H26F2N4O2/c1-15-23(30)32-26(31-15)22-12-17(19-9-16(14-29)10-21(11-19)33-2)3-4-18(22)13-25(26)7-5-20(6-8-25)34-24(27)28/h3-4,9-12,20,24H,5-8,13H2,1-2H3,(H2,30,32)/t20-,25-,26?
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n/an/a 1n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136739
PNG
(US10231967, Example 119 | US8865911, 20e | US99189...)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cncc(Cl)c2)CC1
Show InChI InChI=1/C23H25ClN4O/c1-14-21(25)28-23(27-14)20-10-15(17-9-18(24)13-26-12-17)3-4-16(20)11-22(23)7-5-19(29-2)6-8-22/h3-4,9-10,12-13,19H,5-8,11H2,1-2H3,(H2,25,28)/t19-,22-,23?
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n/an/a 1.10n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136830
PNG
(US10231967, Example 67 | US8865911, 67 | US8865911...)
Show SMILES CCC1=NC2(N=C1N)c1cc(ccc1C[C@@]21CC[C@@H](CC1)OC)-c1cncc(c1)C#CC
Show InChI InChI=1/C27H30N4O/c1-4-6-18-13-21(17-29-16-18)19-7-8-20-15-26(11-9-22(32-3)10-12-26)27(23(20)14-19)30-24(5-2)25(28)31-27/h7-8,13-14,16-17,22H,5,9-12,15H2,1-3H3,(H2,28,31)/t22-,26-,27?
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n/an/a 1.20n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM41537
PNG
(US10231967, Example 114 | US8865911, 114 | US99189...)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cncc(c2)C#CC)CC1
Show InChI InChI=1/C26H28N4O/c1-4-5-18-12-21(16-28-15-18)19-6-7-20-14-25(10-8-22(31-3)9-11-25)26(23(20)13-19)29-17(2)24(27)30-26/h6-7,12-13,15-16,22H,8-11,14H2,1-3H3,(H2,27,30)/t22-,25-,26-/s2
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n/an/a 1.20n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136871
PNG
(US10231967, Example 108 | US8865911, 108 | US99189...)
Show SMILES CC1=NC2(N=C1N)c1cc(ccc1C[C@@]21CC[C@@H](CC1)OC(F)F)-c1cc(Cl)cc(c1)C#N
Show InChI InChI=1/C25H23ClF2N4O/c1-14-22(30)32-25(31-14)21-11-16(18-8-15(13-29)9-19(26)10-18)2-3-17(21)12-24(25)6-4-20(5-7-24)33-23(27)28/h2-3,8-11,20,23H,4-7,12H2,1H3,(H2,30,32)/t20-,24-,25?
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n/an/a 1.30n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136833
PNG
(US10231967, Example 73 | US8865911, 73 | US9000182...)
Show SMILES CC#Cc1cncc(c1)-c1ccc2C[C@@]3(CC[C@H](O)CC3)[C@]3(N=C(C)C(N)=N3)c2c1
Show InChI InChI=1/C25H26N4O/c1-3-4-17-11-20(15-27-14-17)18-5-6-19-13-24(9-7-21(30)8-10-24)25(22(19)12-18)28-16(2)23(26)29-25/h5-6,11-12,14-15,21,30H,7-10,13H2,1-2H3,(H2,26,29)/t21-,24-,25-/s2
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n/an/a 1.30n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136789
PNG
(US8865911, 30c | US9918985, Example 30e)
Show SMILES COC1CCC2(CC1)Oc1ccc(cc1C21N=C(C)C(N)=N1)-c1cncc(c1)C#CC
Show InChI InChI=1/C25H26N4O2/c1-4-5-17-12-19(15-27-14-17)18-6-7-22-21(13-18)25(28-16(2)23(26)29-25)24(31-22)10-8-20(30-3)9-11-24/h6-7,12-15,20H,8-11H2,1-3H3,(H2,26,29)
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n/an/a 1.40n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM50393103
PNG
(CHEMBL2151058 | US10231967, Example 20z | US991898...)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cccc(c2)C#CC)CC1
Show InChI InChI=1/C27H29N3O/c1-4-6-19-7-5-8-20(15-19)21-9-10-22-17-26(13-11-23(31-3)12-14-26)27(24(22)16-21)29-18(2)25(28)30-27/h5,7-10,15-16,23H,11-14,17H2,1-3H3,(H2,28,30)/t23-,26-,27?
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n/an/a 1.40n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136861
PNG
(US10231967, Example 98 | US8865911, 98 | US9918985...)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cc(OC)ccc2F)CC1
Show InChI InChI=1/C25H28FN3O2/c1-15-23(27)29-25(28-15)21-12-16(20-13-19(31-3)6-7-22(20)26)4-5-17(21)14-24(25)10-8-18(30-2)9-11-24/h4-7,12-13,18H,8-11,14H2,1-3H3,(H2,27,29)/t18-,24-,25-/s2
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n/an/a 1.5n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136849
PNG
(US10231967, Example 86 | US8865911, 86 | US9918985...)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cc(cc(c2)C(F)F)C#N)CC1
Show InChI InChI=1/C26H26F2N4O/c1-15-24(30)32-26(31-15)22-12-17(19-9-16(14-29)10-20(11-19)23(27)28)3-4-18(22)13-25(26)7-5-21(33-2)6-8-25/h3-4,9-12,21,23H,5-8,13H2,1-2H3,(H2,30,32)/t21-,25-,26-/s2
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n/an/a 1.5n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM50393100
PNG
(CHEMBL2152915 | US10231967, Example 125 | US991898...)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cc(Cl)cc(c2)C#N)CC1
Show InChI InChI=1/C25H25ClN4O/c1-15-23(28)30-25(29-15)22-12-17(19-9-16(14-27)10-20(26)11-19)3-4-18(22)13-24(25)7-5-21(31-2)6-8-24/h3-4,9-12,21H,5-8,13H2,1-2H3,(H2,28,30)/t21-,24-,25?
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n/an/a 1.60n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM50393104
PNG
(CHEMBL2152918 | US10231967, Example 20aa | US99189...)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cncc(Br)c2)CC1
Show InChI InChI=1/C23H25BrN4O/c1-14-21(25)28-23(27-14)20-10-15(17-9-18(24)13-26-12-17)3-4-16(20)11-22(23)7-5-19(29-2)6-8-22/h3-4,9-10,12-13,19H,5-8,11H2,1-2H3,(H2,25,28)/t19-,22-,23?
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n/an/a 1.60n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136858
PNG
(US10231967, Example 93 | US8865911, 93 | US8865911...)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cc(Br)cc(c2)C#N)CC1
Show InChI InChI=1/C25H25BrN4O/c1-15-23(28)30-25(29-15)22-12-17(19-9-16(14-27)10-20(26)11-19)3-4-18(22)13-24(25)7-5-21(31-2)6-8-24/h3-4,9-12,21H,5-8,13H2,1-2H3,(H2,28,30)/t21-,24-,25?
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n/an/a 1.80n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136830
PNG
(US10231967, Example 67 | US8865911, 67 | US8865911...)
Show SMILES CCC1=NC2(N=C1N)c1cc(ccc1C[C@@]21CC[C@@H](CC1)OC)-c1cncc(c1)C#CC
Show InChI InChI=1/C27H30N4O/c1-4-6-18-13-21(17-29-16-18)19-7-8-20-15-26(11-9-22(32-3)10-12-26)27(23(20)14-19)30-24(5-2)25(28)31-27/h7-8,13-14,16-17,22H,5,9-12,15H2,1-3H3,(H2,28,31)/t22-,26-,27?
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n/an/a 2n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136847
PNG
(US10231967, Example 84 | US8865911, 84 | US9918985...)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cncc(c2)C(F)(F)F)CC1
Show InChI InChI=1/C24H25F3N4O/c1-14-21(28)31-23(30-14)20-10-15(17-9-18(13-29-12-17)24(25,26)27)3-4-16(20)11-22(23)7-5-19(32-2)6-8-22/h3-4,9-10,12-13,19H,5-8,11H2,1-2H3,(H2,28,31)/t19-,22-,23-/s2
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n/an/a 2.10n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136850
PNG
(US10231967, Example 87 | US8865911, 87 | US9918985...)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cc(OC)c(F)c(c2)C#N)CC1
Show InChI InChI=1/C26H27FN4O2/c1-15-24(29)31-26(30-15)21-11-16(18-10-19(14-28)23(27)22(12-18)33-3)4-5-17(21)13-25(26)8-6-20(32-2)7-9-25/h4-5,10-12,20H,6-9,13H2,1-3H3,(H2,29,31)/t20-,25-,26-/s2
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n/an/a 2.20n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM50393099
PNG
(CHEMBL2152914 | US10231967, Example 122 | US991898...)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cncc(c2)C#CC)CC1
Show InChI InChI=1/C26H28N4O/c1-4-5-18-12-21(16-28-15-18)19-6-7-20-14-25(10-8-22(31-3)9-11-25)26(23(20)13-19)29-17(2)24(27)30-26/h6-7,12-13,15-16,22H,8-11,14H2,1-3H3,(H2,27,30)/t22-,25-,26?
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n/an/a 2.20n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM376580
PNG
(US9918985, Example 20i Isomer 2)
Show SMILES CO[C@H]1CC[C@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)C#CC2CC2)CC1
Show InChI InChI=1/C23H27N3O/c1-15-21(24)26-23(25-15)20-13-17(6-5-16-3-4-16)7-8-18(20)14-22(23)11-9-19(27-2)10-12-22/h7-8,13,16,19H,3-4,9-12,14H2,1-2H3,(H2,24,26)/t19-,22+,23?
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n/an/a 2.20n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136854
PNG
(US10231967, Example 91 | US8865911, 91 | US9918985...)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cc(OC)cc(c2)C#N)CC1
Show InChI InChI=1/C26H28N4O2/c1-16-24(28)30-26(29-16)23-13-18(20-10-17(15-27)11-22(12-20)32-3)4-5-19(23)14-25(26)8-6-21(31-2)7-9-25/h4-5,10-13,21H,6-9,14H2,1-3H3,(H2,28,30)/t21-,25-,26?
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n/an/a 2.20n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136736
PNG
(US10231967, Example 20b | US8865911, 20b | US99189...)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cc(ccn2)C#CC)CC1
Show InChI InChI=1/C26H28N4O/c1-4-5-18-10-13-28-23(14-18)19-6-7-20-16-25(11-8-21(31-3)9-12-25)26(22(20)15-19)29-17(2)24(27)30-26/h6-7,10,13-15,21H,8-9,11-12,16H2,1-3H3,(H2,27,30)/t21-,25-,26?
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n/an/a 2.30n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136739
PNG
(US10231967, Example 119 | US8865911, 20e | US99189...)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cncc(Cl)c2)CC1
Show InChI InChI=1/C23H25ClN4O/c1-14-21(25)28-23(27-14)20-10-15(17-9-18(24)13-26-12-17)3-4-16(20)11-22(23)7-5-19(29-2)6-8-22/h3-4,9-10,12-13,19H,5-8,11H2,1-2H3,(H2,25,28)/t19-,22-,23?
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n/an/a 2.30n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM50393106
PNG
(CHEMBL2152920 | US10231967, Example 72 | US9918985...)
Show SMILES CCC#Cc1cncc(c1)-c1ccc2C[C@@]3(CC[C@@H](CC3)OC)C3(N=C(C)C(N)=N3)c2c1
Show InChI InChI=1/C27H30N4O/c1-4-5-6-19-13-22(17-29-16-19)20-7-8-21-15-26(11-9-23(32-3)10-12-26)27(24(21)14-20)30-18(2)25(28)31-27/h7-8,13-14,16-17,23H,4,9-12,15H2,1-3H3,(H2,28,31)/t23-,26-,27?
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n/an/a 2.30n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136743
PNG
(US10231967, Example 20g | US8865911, 20g | US99189...)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2ccc(F)c(c2)C#N)CC1
Show InChI InChI=1/C25H25FN4O/c1-15-23(28)30-25(29-15)21-12-17(16-5-6-22(26)19(11-16)14-27)3-4-18(21)13-24(25)9-7-20(31-2)8-10-24/h3-6,11-12,20H,7-10,13H2,1-2H3,(H2,28,30)/t20-,24-,25?
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n/an/a 2.5n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136834
PNG
(US8865911, 74 | US9918985, Example 74)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cc(C)cc(c2)C#N)CC1
Show InChI InChI=1/C26H28N4O/c1-16-10-18(15-27)12-21(11-16)19-4-5-20-14-25(8-6-22(31-3)7-9-25)26(23(20)13-19)29-17(2)24(28)30-26/h4-5,10-13,22H,6-9,14H2,1-3H3,(H2,28,30)/t22-,25-,26?
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n/an/a 2.60n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136851
PNG
(US10231967, Example 88 | US8865911, 88 | US9918985...)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cc(F)cc(F)c2)CC1
Show InChI InChI=1/C24H25F2N3O/c1-14-22(27)29-24(28-14)21-11-15(17-9-18(25)12-19(26)10-17)3-4-16(21)13-23(24)7-5-20(30-2)6-8-23/h3-4,9-12,20H,5-8,13H2,1-2H3,(H2,27,29)/t20-,23-,24-/s2
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n/an/a 2.80n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136829
PNG
(US10231967, Example 65 | US8865911, 65 | US8865911...)
Show SMILES CCC1=NC2(N=C1N)c1cc(ccc1C[C@@]21CC[C@@H](CC1)OC)-c1cncc(Cl)c1
Show InChI InChI=1/C24H27ClN4O/c1-3-21-22(26)29-24(28-21)20-11-15(17-10-18(25)14-27-13-17)4-5-16(20)12-23(24)8-6-19(30-2)7-9-23/h4-5,10-11,13-14,19H,3,6-9,12H2,1-2H3,(H2,26,29)/t19-,23-,24?
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n/an/a 2.90n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136848
PNG
(US10231967, Example 85 | US8865911, 85 | US9918985...)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cc(cc(c2)C(F)(F)F)C#N)CC1
Show InChI InChI=1/C26H25F3N4O/c1-15-23(31)33-25(32-15)22-12-17(19-9-16(14-30)10-20(11-19)26(27,28)29)3-4-18(22)13-24(25)7-5-21(34-2)6-8-24/h3-4,9-12,21H,5-8,13H2,1-2H3,(H2,31,33)/t21-,24-,25-/s2
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n/an/a 3.10n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136947
PNG
(US10231967, Example 96 | US8865911, 97 Isomer 2 | ...)
Show SMILES COCc1cc(cc(c1)-c1ccc2C[C@@]3(CC[C@@H](CC3)OC)C3(N=C(C)C(N)=N3)c2c1)C#N
Show InChI InChI=1/C27H30N4O2/c1-17-25(29)31-27(30-17)24-13-20(22-11-18(15-28)10-19(12-22)16-32-2)4-5-21(24)14-26(27)8-6-23(33-3)7-9-26/h4-5,10-13,23H,6-9,14,16H2,1-3H3,(H2,29,31)/t23-,26-,27?
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n/an/a 3.10n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136852
PNG
(US10231967, Example 89 | US8865911, 89 | US9918985...)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cccc(OC)c2F)CC1
Show InChI InChI=1/C25H28FN3O2/c1-15-23(27)29-25(28-15)20-13-16(19-5-4-6-21(31-3)22(19)26)7-8-17(20)14-24(25)11-9-18(30-2)10-12-24/h4-8,13,18H,9-12,14H2,1-3H3,(H2,27,29)/t18-,24-,25-/s2
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n/an/a 3.30n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136865
PNG
(US10231967, Example 102 | US8865911, 102 | US99189...)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cc(ccc2F)C#N)CC1
Show InChI InChI=1/C25H25FN4O/c1-15-23(28)30-25(29-15)21-12-17(20-11-16(14-27)3-6-22(20)26)4-5-18(21)13-24(25)9-7-19(31-2)8-10-24/h3-6,11-12,19H,7-10,13H2,1-2H3,(H2,28,30)/t19-,24-,25-/s2
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n/an/a 3.30n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136835
PNG
(US10231967, Example 118 | US8865911, 75 | US886591...)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cc(F)cc(c2)C#N)CC1
Show InChI InChI=1/C25H25FN4O/c1-15-23(28)30-25(29-15)22-12-17(19-9-16(14-27)10-20(26)11-19)3-4-18(22)13-24(25)7-5-21(31-2)6-8-24/h3-4,9-12,21H,5-8,13H2,1-2H3,(H2,28,30)/t21-,24-,25?
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n/an/a 3.40n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136862
PNG
(US10231967, Example 99 | US8865911, 99 | US9918985...)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cc(F)ccc2F)CC1
Show InChI InChI=1/C24H25F2N3O/c1-14-22(27)29-24(28-14)20-11-15(19-12-17(25)5-6-21(19)26)3-4-16(20)13-23(24)9-7-18(30-2)8-10-23/h3-6,11-12,18H,7-10,13H2,1-2H3,(H2,27,29)/t18-,23-,24-/s2
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n/an/a 3.90n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM50393101
PNG
(CHEMBL2152916 | US10231967, Example 20i | US886591...)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)C#CC2CC2)CC1
Show InChI InChI=1/C23H27N3O/c1-15-21(24)26-23(25-15)20-13-17(6-5-16-3-4-16)7-8-18(20)14-22(23)11-9-19(27-2)10-12-22/h7-8,13,16,19H,3-4,9-12,14H2,1-2H3,(H2,24,26)/t19-,22-,23?
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n/an/a 4.80n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136768
PNG
(US10231967, Example 20y | US8865911, 20y | US99189...)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2ccnc(c2)C#CC)CC1
Show InChI InChI=1/C26H28N4O/c1-4-5-21-14-19(10-13-28-21)18-6-7-20-16-25(11-8-22(31-3)9-12-25)26(23(20)15-18)29-17(2)24(27)30-26/h6-7,10,13-15,22H,8-9,11-12,16H2,1-3H3,(H2,27,30)/t22-,25-,26?
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n/an/a 4.90n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM376718
PNG
(US9918985, Example 50 Isomer 2)
Show SMILES CC1=N[C@@]2(CC(Oc3ccc(cc23)-c2cccc(Cl)c2)[C@H]2CCOC(C)(C)C2)N=C1N
Show InChI InChI=1/C25H28ClN3O2/c1-15-23(27)29-25(28-15)14-22(18-9-10-30-24(2,3)13-18)31-21-8-7-17(12-20(21)25)16-5-4-6-19(26)11-16/h4-8,11-12,18,22H,9-10,13-14H2,1-3H3,(H2,27,29)/t18-,22?,25-/s2
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n/an/a 5n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136788
PNG
(US10231967, Example 30d | US8865911, 30d | US99189...)
Show SMILES COC1CCC2(CC1)Oc1ccc(cc1C21N=C(C)C(N)=N1)-c1cncc(Cl)c1
Show InChI InChI=1/C22H23ClN4O2/c1-13-20(24)27-22(26-13)18-10-14(15-9-16(23)12-25-11-15)3-4-19(18)29-21(22)7-5-17(28-2)6-8-21/h3-4,9-12,17H,5-8H2,1-2H3,(H2,24,27)
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n/an/a 5.20n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136737
PNG
(US10231967, Example 20c | US8865911, 20c | US99189...)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cc(cc(c2)C#N)C#N)CC1
Show InChI InChI=1/C26H25N5O/c1-16-24(29)31-26(30-16)23-12-19(21-10-17(14-27)9-18(11-21)15-28)3-4-20(23)13-25(26)7-5-22(32-2)6-8-25/h3-4,9-12,22H,5-8,13H2,1-2H3,(H2,29,31)/t22-,25-,26?
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n/an/a 5.20n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136787
PNG
(US10231967, Example 30c | US8865911, 30b | US99189...)
Show SMILES COC1CCC2(CC1)Oc1ccc(cc1C21N=C(C)C(N)=N1)-c1cccc(Cl)c1
Show InChI InChI=1/C23H24ClN3O2/c1-14-21(25)27-23(26-14)19-13-16(15-4-3-5-17(24)12-15)6-7-20(19)29-22(23)10-8-18(28-2)9-11-22/h3-7,12-13,18H,8-11H2,1-2H3,(H2,25,27)
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n/an/a 5.30n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136859
PNG
(US10231967, Example 95 | US8865911, 95 | US9918985...)
Show SMILES CCc1cc(cc(c1)-c1ccc2C[C@@]3(CC[C@@H](CC3)OC)C3(N=C(C)C(N)=N3)c2c1)C#N
Show InChI InChI=1/C27H30N4O/c1-4-18-11-19(16-28)13-22(12-18)20-5-6-21-15-26(9-7-23(32-3)8-10-26)27(24(21)14-20)30-17(2)25(29)31-27/h5-6,11-14,23H,4,7-10,15H2,1-3H3,(H2,29,31)/t23-,26-,27?
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n/an/a 5.30n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136741
PNG
(US10231967, Example 20f | US8865911, 20f | US99189...)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cncc(F)c2)CC1
Show InChI InChI=1/C23H25FN4O/c1-14-21(25)28-23(27-14)20-10-15(17-9-18(24)13-26-12-17)3-4-16(20)11-22(23)7-5-19(29-2)6-8-22/h3-4,9-10,12-13,19H,5-8,11H2,1-2H3,(H2,25,28)/t19-,22-,23?
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n/an/a 5.5n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136835
PNG
(US10231967, Example 118 | US8865911, 75 | US886591...)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cc(F)cc(c2)C#N)CC1
Show InChI InChI=1/C25H25FN4O/c1-15-23(28)30-25(29-15)22-12-17(19-9-16(14-27)10-20(26)11-19)3-4-18(22)13-24(25)7-5-21(31-2)6-8-24/h3-4,9-12,21H,5-8,13H2,1-2H3,(H2,28,30)/t21-,24-,25?
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n/an/a 5.70n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136829
PNG
(US10231967, Example 65 | US8865911, 65 | US8865911...)
Show SMILES CCC1=NC2(N=C1N)c1cc(ccc1C[C@@]21CC[C@@H](CC1)OC)-c1cncc(Cl)c1
Show InChI InChI=1/C24H27ClN4O/c1-3-21-22(26)29-24(28-21)20-11-15(17-10-18(25)14-27-13-17)4-5-16(20)12-23(24)8-6-19(30-2)7-9-23/h4-5,10-11,13-14,19H,3,6-9,12H2,1-2H3,(H2,26,29)/t19-,23-,24?
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n/an/a 5.70n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136824
PNG
(US10231967, Example 61 | US8865911, 61 | US9918985...)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cnc(C)c(Cl)c2)CC1
Show InChI InChI=1/C24H27ClN4O/c1-14-21(25)11-18(13-27-14)16-4-5-17-12-23(8-6-19(30-3)7-9-23)24(20(17)10-16)28-15(2)22(26)29-24/h4-5,10-11,13,19H,6-9,12H2,1-3H3,(H2,26,29)/t19-,23-,24-/s2
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n/an/a 5.90n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136947
PNG
(US10231967, Example 96 | US8865911, 97 Isomer 2 | ...)
Show SMILES COCc1cc(cc(c1)-c1ccc2C[C@@]3(CC[C@@H](CC3)OC)C3(N=C(C)C(N)=N3)c2c1)C#N
Show InChI InChI=1/C27H30N4O2/c1-17-25(29)31-27(30-17)24-13-20(22-11-18(15-28)10-19(12-22)16-32-2)4-5-21(24)14-26(27)8-6-23(33-3)7-9-26/h4-5,10-13,23H,6-9,14,16H2,1-3H3,(H2,29,31)/t23-,26-,27?
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n/an/a 6.10n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136743
PNG
(US10231967, Example 20g | US8865911, 20g | US99189...)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2ccc(F)c(c2)C#N)CC1
Show InChI InChI=1/C25H25FN4O/c1-15-23(28)30-25(29-15)21-12-17(16-5-6-22(26)19(11-16)14-27)3-4-18(21)13-24(25)9-7-20(31-2)8-10-24/h3-6,11-12,20H,7-10,13H2,1-2H3,(H2,28,30)/t20-,24-,25?
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n/an/a 7.10n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136782
PNG
(US10231967, Example 28h | US8865911, 28h | US99189...)
Show SMILES CC#Cc1cncc(c1)-c1ccc2CC3(CCC(F)(F)CC3)C3(N=C(C)C(N)=N3)c2c1
Show InChI InChI=1/C25H24F2N4/c1-3-4-17-11-20(15-29-14-17)18-5-6-19-13-23(7-9-24(26,27)10-8-23)25(21(19)12-18)30-16(2)22(28)31-25/h5-6,11-12,14-15H,7-10,13H2,1-2H3,(H2,28,31)
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n/an/a 7.30n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136832
PNG
(US10231967, Example 70 | US8865911, 70 | US8865911...)
Show SMILES CCC1=NC2(N=C1N)c1cc(ccc1C[C@@]21CC[C@@H](CC1)OC)-c1cccc(c1)C#N
Show InChI InChI=1/C26H28N4O/c1-3-23-24(28)30-26(29-23)22-14-19(18-6-4-5-17(13-18)16-27)7-8-20(22)15-25(26)11-9-21(31-2)10-12-25/h4-8,13-14,21H,3,9-12,15H2,1-2H3,(H2,28,30)/t21-,25-,26?
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n/an/a 7.40n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136806
PNG
(US10231967, Example 49 | US8865911, 49 Isomeric mi...)
Show SMILES CC1=NC2(CC(Oc3ccc(Br)cc23)C2CCOC(C)(C)C2)N=C1N
Show InChI InChI=1/C19H24BrN3O2/c1-11-17(21)23-19(22-11)10-16(12-6-7-24-18(2,3)9-12)25-15-5-4-13(20)8-14(15)19/h4-5,8,12,16H,6-7,9-10H2,1-3H3,(H2,21,23)
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n/an/a 10n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM369527
PNG
(US10231967, Example 48-Isomer-3 | US9918985, Examp...)
Show SMILES CC1=N[C@@]2(C[C@@H](Oc3ccc(cc23)-c2cccc(Cl)c2)[C@@H]2CCCOC2)N=C1N
Show InChI InChI=1/C23H24ClN3O2/c1-14-22(25)27-23(26-14)12-21(17-5-3-9-28-13-17)29-20-8-7-16(11-19(20)23)15-4-2-6-18(24)10-15/h2,4,6-8,10-11,17,21H,3,5,9,12-13H2,1H3,(H2,25,27)/t17-,21-,23+/s2
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n/an/a 10n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136823
PNG
(US10231967, Example 60 | US8865911, 60 | US9918985...)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cnc(C)c(Cl)c2)CC1
Show InChI InChI=1/C24H27ClN4O/c1-14-21(25)11-18(13-27-14)16-4-5-17-12-23(8-6-19(30-3)7-9-23)24(20(17)10-16)28-15(2)22(26)29-24/h4-5,10-11,13,19H,6-9,12H2,1-3H3,(H2,26,29)/t19-,23-,24?
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n/an/a 12n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136853
PNG
(US10231967, Example 90 | US8865911, 90 | US9918985...)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2ccccc2)CC1
Show InChI InChI=1/C24H27N3O/c1-16-22(25)27-24(26-16)21-14-18(17-6-4-3-5-7-17)8-9-19(21)15-23(24)12-10-20(28-2)11-13-23/h3-9,14,20H,10-13,15H2,1-2H3,(H2,25,27)/t20-,23-,24-/s2
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n/an/a 13n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM369528
PNG
(US10231967, Example 48-Isomer-4 | US9918985, Examp...)
Show SMILES CC1=N[C@@]2(C[C@@H](Oc3ccc(cc23)-c2cccc(Cl)c2)[C@H]2CCCOC2)N=C1N
Show InChI InChI=1/C23H24ClN3O2/c1-14-22(25)27-23(26-14)12-21(17-5-3-9-28-13-17)29-20-8-7-16(11-19(20)23)15-4-2-6-18(24)10-15/h2,4,6-8,10-11,17,21H,3,5,9,12-13H2,1H3,(H2,25,27)/t17-,21+,23-/s2
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n/an/a 14n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136745
PNG
(US10231967, Example 20h | US8865911, 20h | US88659...)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)C#CC(C)(C)C)CC1
Show InChI InChI=1/C24H31N3O/c1-16-21(25)27-24(26-16)20-14-17(8-11-22(2,3)4)6-7-18(20)15-23(24)12-9-19(28-5)10-13-23/h6-7,14,19H,9-10,12-13,15H2,1-5H3,(H2,25,27)/t19-,23-,24?
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n/an/a 15n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136752
PNG
(US10231967, Example 20n | US8865911, 20n | US99189...)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(NC(=O)c4oc5cc(Cl)ccc5c4C)cc3C22N=C(C)C(N)=N2)CC1
Show InChI InChI=1/C28H29ClN4O3/c1-15-21-7-5-18(29)12-23(21)36-24(15)26(34)31-19-6-4-17-14-27(10-8-20(35-3)9-11-27)28(22(17)13-19)32-16(2)25(30)33-28/h4-7,12-13,20H,8-11,14H2,1-3H3,(H2,30,33)(H,31,34)/t20-,27-,28?
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n/an/a 17n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136766
PNG
(US10231967, Example 20w | US8865911, 20w | US99189...)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(NC(=O)c4ncc(Cl)cc4C)cc3C22N=C(C)C(N)=N2)CC1
Show InChI InChI=1/C25H28ClN5O2/c1-14-10-17(26)13-28-21(14)23(32)29-18-5-4-16-12-24(8-6-19(33-3)7-9-24)25(20(16)11-18)30-15(2)22(27)31-25/h4-5,10-11,13,19H,6-9,12H2,1-3H3,(H2,27,31)(H,29,32)/t19-,24-,25?
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n/an/a 18n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136832
PNG
(US10231967, Example 70 | US8865911, 70 | US8865911...)
Show SMILES CCC1=NC2(N=C1N)c1cc(ccc1C[C@@]21CC[C@@H](CC1)OC)-c1cccc(c1)C#N
Show InChI InChI=1/C26H28N4O/c1-3-23-24(28)30-26(29-23)22-14-19(18-6-4-5-17(13-18)16-27)7-8-20(22)15-25(26)11-9-21(31-2)10-12-25/h4-8,13-14,21H,3,9-12,15H2,1-2H3,(H2,28,30)/t21-,25-,26?
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n/an/a 18n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136825
PNG
(US10231967, Example 62 | US8865911, 62 | US9918985...)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cc(Cl)cnc2C)CC1
Show InChI InChI=1/C24H27ClN4O/c1-14-20(11-18(25)13-27-14)16-4-5-17-12-23(8-6-19(30-3)7-9-23)24(21(17)10-16)28-15(2)22(26)29-24/h4-5,10-11,13,19H,6-9,12H2,1-3H3,(H2,26,29)/t19-,23-,24?
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n/an/a 19n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM376631
PNG
(5''-methyl-6'-[5-(prop-1-yn-1-yl)pyridin-3-yl]-3'H...)
Show SMILES CC#Cc1cncc(c1)-c1ccc2C[C@]3(CCC3)[C@@]3(N=C(C)C(N)=N3)c2c1
Show InChI InChI=1/C23H22N4/c1-3-5-16-10-19(14-25-13-16)17-6-7-18-12-22(8-4-9-22)23(20(18)11-17)26-15(2)21(24)27-23/h6-7,10-11,13-14H,4,8-9,12H2,1-2H3,(H2,24,27)/t23-/s2
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n/an/a 19n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136864
PNG
(US10231967, Example 101 | US8865911, 101 | US99189...)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cccc(F)c2F)CC1
Show InChI InChI=1/C24H25F2N3O/c1-14-22(27)29-24(28-14)19-12-15(18-4-3-5-20(25)21(18)26)6-7-16(19)13-23(24)10-8-17(30-2)9-11-23/h3-7,12,17H,8-11,13H2,1-2H3,(H2,27,29)/t17-,23-,24-/s2
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n/an/a 19.8n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM50393100
PNG
(CHEMBL2152915 | US10231967, Example 125 | US991898...)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cc(Cl)cc(c2)C#N)CC1
Show InChI InChI=1/C25H25ClN4O/c1-15-23(28)30-25(29-15)22-12-17(19-9-16(14-27)10-20(26)11-19)3-4-18(22)13-24(25)7-5-21(31-2)6-8-24/h3-4,9-12,21H,5-8,13H2,1-2H3,(H2,28,30)/t21-,24-,25?
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n/an/a 20n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM50393102
PNG
(CHEMBL2152917 | US10231967, Example 20t | US886591...)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(OCC(C)C)cc3C22N=C(C)C(N)=N2)CC1
Show InChI InChI=1/C22H31N3O2/c1-14(2)13-27-18-6-5-16-12-21(9-7-17(26-4)8-10-21)22(19(16)11-18)24-15(3)20(23)25-22/h5-6,11,14,17H,7-10,12-13H2,1-4H3,(H2,23,25)/t17-,21-,22?
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n/an/a 20n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136754
PNG
(US10231967, Example 20q | US8865911, 20q | US99189...)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(NC(=O)c4ccc(Cl)cn4)cc3C22N=C(C)C(N)=N2)CC1
Show InChI InChI=1/C24H26ClN5O2/c1-14-21(26)30-24(29-14)19-11-17(28-22(31)20-6-4-16(25)13-27-20)5-3-15(19)12-23(24)9-7-18(32-2)8-10-23/h3-6,11,13,18H,7-10,12H2,1-2H3,(H2,26,30)(H,28,31)/t18-,23-,24?
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n/an/a 20n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136898
PNG
(US10231967, Example 126 | US8865911, 126 | US90001...)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(OCC4CCC4)cc3C22N=C(C)C(N)=N2)CC1
Show InChI InChI=1/C23H31N3O2/c1-15-21(24)26-23(25-15)20-12-19(28-14-16-4-3-5-16)7-6-17(20)13-22(23)10-8-18(27-2)9-11-22/h6-7,12,16,18H,3-5,8-11,13-14H2,1-2H3,(H2,24,26)/t18-,22-,23?
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n/an/a 20n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM376577
PNG
(US9918985, Example 20h Isomer 2)
Show SMILES CO[C@H]1CC[C@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)C#CC(C)(C)C)CC1
Show InChI InChI=1/C24H31N3O/c1-16-21(25)27-24(26-16)20-14-17(8-11-22(2,3)4)6-7-18(20)15-23(24)12-9-19(28-5)10-13-23/h6-7,14,19H,9-10,12-13,15H2,1-5H3,(H2,25,27)/t19-,23+,24?
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n/an/a 21n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136910
PNG
(US10231967, Example 132 | US8865911, 132 | US99189...)
Show SMILES CCO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cc(F)cc(c2)C#N)CC1
Show InChI InChI=1/C26H27FN4O/c1-3-32-22-6-8-25(9-7-22)14-19-5-4-18(20-10-17(15-28)11-21(27)12-20)13-23(19)26(25)30-16(2)24(29)31-26/h4-5,10-13,22H,3,6-9,14H2,1-2H3,(H2,29,31)/t22-,25-,26?
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n/an/a 21n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136846
PNG
(US10231967, Example 83 | US8865911, 83 | US9918985...)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cncc(C)c2)CC1
Show InChI InChI=1/C24H28N4O/c1-15-10-19(14-26-13-15)17-4-5-18-12-23(8-6-20(29-3)7-9-23)24(21(18)11-17)27-16(2)22(25)28-24/h4-5,10-11,13-14,20H,6-9,12H2,1-3H3,(H2,25,28)/t20-,23-,24-/s2
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n/an/a 21n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136831
PNG
(US10231967, Example 69 | US8865911, 69 | US9918985...)
Show SMILES CCC1=NC2(N=C1N)c1cc(ccc1C[C@@]21CC[C@@H](CC1)OC)-c1cncc(c1)C#N
Show InChI InChI=1/C25H27N5O/c1-3-22-23(27)30-25(29-22)21-11-17(19-10-16(13-26)14-28-15-19)4-5-18(21)12-24(25)8-6-20(31-2)7-9-24/h4-5,10-11,14-15,20H,3,6-9,12H2,1-2H3,(H2,27,30)/t20-,24-,25?
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n/an/a 21n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136872
PNG
(US10231967, Example 109 | US8865911, 109 | US99189...)
Show SMILES CC1=NC2(N=C1N)c1cc(ccc1C[C@@]21CC[C@@H](CC1)OC(F)F)-c1cc(F)cc(F)c1
Show InChI InChI=1/C24H23F4N3O/c1-13-21(29)31-24(30-13)20-10-14(16-8-17(25)11-18(26)9-16)2-3-15(20)12-23(24)6-4-19(5-7-23)32-22(27)28/h2-3,8-11,19,22H,4-7,12H2,1H3,(H2,29,31)/t19-,23-,24?
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n/an/a 21n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136870
PNG
(US10231967, Example 107 | US8865911, 107 | US99189...)
Show SMILES CC1=NC2(N=C1N)c1cc(ccc1C[C@@]21CC[C@@H](CC1)OC(F)F)-c1cncc(c1)C(F)(F)F
Show InChI InChI=1/C24H23F5N4O/c1-13-20(30)33-23(32-13)19-9-14(16-8-17(12-31-11-16)24(27,28)29)2-3-15(19)10-22(23)6-4-18(5-7-22)34-21(25)26/h2-3,8-9,11-12,18,21H,4-7,10H2,1H3,(H2,30,33)/t18-,22-,23?
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n/an/a 21n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136761
PNG
(US10231967, Example 20u | US8865911, 20u | US90001...)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(OCCC(F)(F)F)cc3C22N=C(C)C(N)=N2)CC1
Show InChI InChI=1/C21H26F3N3O2/c1-13-18(25)27-21(26-13)17-11-16(29-10-9-20(22,23)24)4-3-14(17)12-19(21)7-5-15(28-2)6-8-19/h3-4,11,15H,5-10,12H2,1-2H3,(H2,25,27)/t15-,19-,21?
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n/an/a 22n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136879
PNG
(US10231967, Example 112 | US8865911, 112 | US90001...)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)C#CC2CCC2)CC1
Show InChI InChI=1/C24H29N3O/c1-16-22(25)27-24(26-16)21-14-18(7-6-17-4-3-5-17)8-9-19(21)15-23(24)12-10-20(28-2)11-13-23/h8-9,14,17,20H,3-5,10-13,15H2,1-2H3,(H2,25,27)/t20-,23-,24?
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n/an/a 22n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136913
PNG
(US10231967, Example 135 | US8865911, 135 | US99189...)
Show SMILES CCO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cncc(c2)C#CC)CC1
Show InChI InChI=1/C27H30N4O/c1-4-6-19-13-22(17-29-16-19)20-7-8-21-15-26(11-9-23(10-12-26)32-5-2)27(24(21)14-20)30-18(3)25(28)31-27/h7-8,13-14,16-17,23H,5,9-12,15H2,1-3H3,(H2,28,31)/t23-,26-,27?
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n/an/a 22n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136843
PNG
(US10231967, Example 80 | US8865911, 80 | US9918985...)
Show SMILES COCc1cccc(c1)-c1ccc2C[C@@]3(CC[C@@H](CC3)OC)C3(N=C(C)C(N)=N3)c2c1
Show InChI InChI=1/C26H31N3O2/c1-17-24(27)29-26(28-17)23-14-20(19-6-4-5-18(13-19)16-30-2)7-8-21(23)15-25(26)11-9-22(31-3)10-12-25/h4-8,13-14,22H,9-12,15-16H2,1-3H3,(H2,27,29)/t22-,25-,26?
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n/an/a 22n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM369598
PNG
(3-[(1r,4r)-4″-Amino-4-(difluoromethoxy)-5...)
Show SMILES CC1=NC2(N=C1N)c1cc(ccc1C[C@@]21CC[C@@H](CC1)OC(F)F)-c1cc(F)cc(c1)C#N
Show InChI InChI=1/C25H23F3N4O/c1-14-22(30)32-25(31-14)21-11-16(18-8-15(13-29)9-19(26)10-18)2-3-17(21)12-24(25)6-4-20(5-7-24)33-23(27)28/h2-3,8-11,20,23H,4-7,12H2,1H3,(H2,30,32)/t20-,24-,25?
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n/an/a 22n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136712
PNG
(US10231967, Example 13e | US8865911, 13e | US99189...)
Show SMILES CC#CCOc1cnc(cn1)C(=O)Nc1ccc2OCCC3(N=C(C)C(N)=N3)c2c1
Show InChI InChI=1/C21H20N6O3/c1-3-4-8-30-18-12-23-16(11-24-18)20(28)25-14-5-6-17-15(10-14)21(7-9-29-17)26-13(2)19(22)27-21/h5-6,10-12H,7-9H2,1-2H3,(H2,22,27)(H,25,28)
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n/an/a 22n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136835
PNG
(US10231967, Example 118 | US8865911, 75 | US886591...)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cc(F)cc(c2)C#N)CC1
Show InChI InChI=1/C25H25FN4O/c1-15-23(28)30-25(29-15)22-12-17(19-9-16(14-27)10-20(26)11-19)3-4-18(22)13-24(25)7-5-21(31-2)6-8-24/h3-4,9-12,21H,5-8,13H2,1-2H3,(H2,28,30)/t21-,24-,25?
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n/an/a 23n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136844
PNG
(US10231967, Example 81 | US8865911, 81 | US9918985...)
Show SMILES COCc1cc(F)cc(c1)-c1ccc2C[C@@]3(CC[C@@H](CC3)OC)C3(N=C(C)C(N)=N3)c2c1
Show InChI InChI=1/C26H30FN3O2/c1-16-24(28)30-26(29-16)23-13-18(20-10-17(15-31-2)11-21(27)12-20)4-5-19(23)14-25(26)8-6-22(32-3)7-9-25/h4-5,10-13,22H,6-9,14-15H2,1-3H3,(H2,28,30)/t22-,25-,26?
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n/an/a 23n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136739
PNG
(US10231967, Example 119 | US8865911, 20e | US99189...)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cncc(Cl)c2)CC1
Show InChI InChI=1/C23H25ClN4O/c1-14-21(25)28-23(27-14)20-10-15(17-9-18(24)13-26-12-17)3-4-16(20)11-22(23)7-5-19(29-2)6-8-22/h3-4,9-10,12-13,19H,5-8,11H2,1-2H3,(H2,25,28)/t19-,22-,23?
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n/an/a 23n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136873
PNG
(US10231967, Example 110 | US8865911, 110 | US99189...)
Show SMILES COc1cc(cc(C#N)c1F)-c1ccc2C[C@@]3(CC[C@@H](CC3)OC(F)F)C3(N=C(C)C(N)=N3)c2c1
Show InChI InChI=1/C26H25F3N4O2/c1-14-23(31)33-26(32-14)20-10-15(17-9-18(13-30)22(27)21(11-17)34-2)3-4-16(20)12-25(26)7-5-19(6-8-25)35-24(28)29/h3-4,9-11,19,24H,5-8,12H2,1-2H3,(H2,31,33)/t19-,25-,26?
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n/an/a 24n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136880
PNG
(US10231967, Example 113 | US8865911, 113 | US90001...)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)C#CC(C)C)CC1
Show InChI InChI=1/C23H29N3O/c1-15(2)5-6-17-7-8-18-14-22(11-9-19(27-4)10-12-22)23(20(18)13-17)25-16(3)21(24)26-23/h7-8,13,15,19H,9-12,14H2,1-4H3,(H2,24,26)/t19-,22-,23?
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n/an/a 24n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136765
PNG
(US10231967, Example 20v | US8865911, 20v | US99189...)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(OCCCF)cc3C22N=C(C)C(N)=N2)CC1
Show InChI InChI=1/C21H28FN3O2/c1-14-19(23)25-21(24-14)18-12-17(27-11-3-10-22)5-4-15(18)13-20(21)8-6-16(26-2)7-9-20/h4-5,12,16H,3,6-11,13H2,1-2H3,(H2,23,25)/t16-,20-,21?
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n/an/a 25n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM50393099
PNG
(CHEMBL2152914 | US10231967, Example 122 | US991898...)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cncc(c2)C#CC)CC1
Show InChI InChI=1/C26H28N4O/c1-4-5-18-12-21(16-28-15-18)19-6-7-20-14-25(10-8-22(31-3)9-11-25)26(23(20)13-19)29-17(2)24(27)30-26/h6-7,12-13,15-16,22H,8-11,14H2,1-3H3,(H2,27,30)/t22-,25-,26?
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n/an/a 25n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136911
PNG
(US10231967, Example 133 | US8865911, 133 | US99189...)
Show SMILES CCO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cncc(Cl)c2)CC1
Show InChI InChI=1/C24H27ClN4O/c1-3-30-20-6-8-23(9-7-20)12-17-5-4-16(18-10-19(25)14-27-13-18)11-21(17)24(23)28-15(2)22(26)29-24/h4-5,10-11,13-14,20H,3,6-9,12H2,1-2H3,(H2,26,29)/t20-,23-,24?
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n/an/a 25n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136888
PNG
(US10231967, Example 116 | US8865911, 116 | US99189...)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cnc3[nH]cc(C)c3c2)CC1
Show InChI InChI=1/C26H29N5O/c1-15-13-28-24-21(15)10-19(14-29-24)17-4-5-18-12-25(8-6-20(32-3)7-9-25)26(22(18)11-17)30-16(2)23(27)31-26/h4-5,10-11,13-14,20H,6-9,12H2,1-3H3,(H2,27,31)(H,28,29)/t20-,25-,26?
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n/an/a 26n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136889
PNG
(US10231967, Example 120 | US8865911, 120 | US99189...)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cncc(c2)C(F)F)CC1
Show InChI InChI=1/C24H26F2N4O/c1-14-22(27)30-24(29-14)20-10-15(17-9-18(21(25)26)13-28-12-17)3-4-16(20)11-23(24)7-5-19(31-2)6-8-23/h3-4,9-10,12-13,19,21H,5-8,11H2,1-2H3,(H2,27,30)/t19-,23-,24?
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n/an/a 27n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136912
PNG
(US10231967, Example 134 | US8865911, 134 | US99189...)
Show SMILES CCO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cc(cc(c2)C(F)F)C#N)CC1
Show InChI InChI=1/C27H28F2N4O/c1-3-34-22-6-8-26(9-7-22)14-19-5-4-18(13-23(19)27(26)32-16(2)25(31)33-27)20-10-17(15-30)11-21(12-20)24(28)29/h4-5,10-13,22,24H,3,6-9,14H2,1-2H3,(H2,31,33)/t22-,26-,27?
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n/an/a 28n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136753
PNG
(US10231967, Example 20o | US8865911, 20o | US99189...)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(NC(=O)c4ncc(Cl)cc4Cl)cc3C22N=C(C)C(N)=N2)CC1
Show InChI InChI=1/C24H25Cl2N5O2/c1-13-21(27)31-24(30-13)18-10-16(29-22(32)20-19(26)9-15(25)12-28-20)4-3-14(18)11-23(24)7-5-17(33-2)6-8-23/h3-4,9-10,12,17H,5-8,11H2,1-2H3,(H2,27,31)(H,29,32)/t17-,23-,24?
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n/an/a 28n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136820
PNG
(US10231967, Example 56 | US8865911, 56 | US8865911...)
Show SMILES CC#Cc1cncc(c1)-c1ccc2CC3(CCC3)C3(N=C(C)C(N)=N3)c2c1
Show InChI InChI=1/C23H22N4/c1-3-5-16-10-19(14-25-13-16)17-6-7-18-12-22(8-4-9-22)23(20(18)11-17)26-15(2)21(24)27-23/h6-7,10-11,13-14H,4,8-9,12H2,1-2H3,(H2,24,27)
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n/an/a 31n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136899
PNG
(US10231967, Example 127 | US8865911, 127 | US99189...)
Show SMILES COCc1cc(cc(C#N)c1F)-c1ccc2C[C@@]3(CC[C@@H](CC3)OC)C3(N=C(C)C(N)=N3)c2c1
Show InChI InChI=1/C27H29FN4O2/c1-16-25(30)32-27(31-16)23-12-17(19-10-20(14-29)24(28)21(11-19)15-33-2)4-5-18(23)13-26(27)8-6-22(34-3)7-9-26/h4-5,10-12,22H,6-9,13,15H2,1-3H3,(H2,30,32)/t22-,26-,27?
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n/an/a 34n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136751
PNG
(US10231967, Example 20k | US8865911, 20k | US99189...)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(NC(=O)c4ccc(cn4)C(F)(F)F)cc3C22N=C(C)C(N)=N2)CC1
Show InChI InChI=1/C25H26F3N5O2/c1-14-21(29)33-24(32-14)19-11-17(31-22(34)20-6-4-16(13-30-20)25(26,27)28)5-3-15(19)12-23(24)9-7-18(35-2)8-10-23/h3-6,11,13,18H,7-10,12H2,1-2H3,(H2,29,33)(H,31,34)/t18-,23-,24?
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n/an/a 34n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136866
PNG
(US10231967, Example 103 | US8865911, 103 | US99189...)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2ccc(F)cc2F)CC1
Show InChI InChI=1/C24H25F2N3O/c1-14-22(27)29-24(28-14)20-11-15(19-6-5-17(25)12-21(19)26)3-4-16(20)13-23(24)9-7-18(30-2)8-10-23/h3-6,11-12,18H,7-10,13H2,1-2H3,(H2,27,29)/t18-,23-,24-/s2
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n/an/a 34n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136890
PNG
(US10231967, Example 121 | US8865911, 121 | US99189...)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2ccc3[nH]cc(C)c3c2)CC1
Show InChI InChI=1/C27H30N4O/c1-16-15-29-24-7-6-18(12-22(16)24)19-4-5-20-14-26(10-8-21(32-3)9-11-26)27(23(20)13-19)30-17(2)25(28)31-27/h4-7,12-13,15,21,29H,8-11,14H2,1-3H3,(H2,28,31)/t21-,26-,27?
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n/an/a 37n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136909
PNG
(US10231967, Example 131 | US8865911, 131 | US99189...)
Show SMILES CCO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cncc(c2)C(F)(F)F)CC1
Show InChI InChI=1/C25H27F3N4O/c1-3-33-20-6-8-23(9-7-20)12-17-5-4-16(18-10-19(14-30-13-18)25(26,27)28)11-21(17)24(23)31-15(2)22(29)32-24/h4-5,10-11,13-14,20H,3,6-9,12H2,1-2H3,(H2,29,32)/t20-,23-,24?
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n/an/a 44n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136750
PNG
(US10231967, Example 20j | US8865911, 20j | US99189...)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(NC(=O)c4ncc(Br)cn4)cc3C22N=C(C)C(N)=N2)CC1
Show InChI InChI=1/C23H25BrN6O2/c1-13-19(25)30-23(29-13)18-9-16(28-21(31)20-26-11-15(24)12-27-20)4-3-14(18)10-22(23)7-5-17(32-2)6-8-22/h3-4,9,11-12,17H,5-8,10H2,1-2H3,(H2,25,30)(H,28,31)/t17-,22-,23?
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n/an/a 47n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136878
PNG
(US8865911, 111 | US9918985, Example 111)
Show SMILES CO[C@]1(C)CC[C@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cncc(c2)C#CC)CC1
Show InChI InChI=1/C27H30N4O/c1-5-6-19-13-22(17-29-16-19)20-7-8-21-15-26(11-9-25(3,32-4)10-12-26)27(23(21)14-20)30-18(2)24(28)31-27/h7-8,13-14,16-17H,9-12,15H2,1-4H3,(H2,28,31)/t25-,26-,27?
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n/an/a 51n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136726
PNG
(US8865911, 19 Isomer 4 | US9918985, Example 19 Iso...)
Show SMILES COC1CC[C@]2(Cc3ccc(Br)cc3[C@]22N=C(C)C(N)=N2)CC1
Show InChI InChI=1/C18H22BrN3O/c1-11-16(20)22-18(21-11)15-9-13(19)4-3-12(15)10-17(18)7-5-14(23-2)6-8-17/h3-4,9,14H,5-8,10H2,1-2H3,(H2,20,22)/t14?,17-,18-/s2
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n/an/a 53n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136779
PNG
(US10231967, Example 28c | US8865911, 28c | US99189...)
Show SMILES CC1=NC2(N=C1N)c1cc(ccc1CC21CCC(F)(F)CC1)-c1cncc(Cl)c1
Show InChI InChI=1/C22H21ClF2N4/c1-13-19(26)29-22(28-13)18-9-14(16-8-17(23)12-27-11-16)2-3-15(18)10-20(22)4-6-21(24,25)7-5-20/h2-3,8-9,11-12H,4-7,10H2,1H3,(H2,26,29)
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n/an/a 53n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136814
PNG
(US10231967, Example 53 | US8865911, 53 | US9918985...)
Show SMILES CC#Cc1cncc(c1)-c1ccc2CCCC3(N=C(C)C(N)=N3)c2c1
Show InChI InChI=1/C21H20N4/c1-3-5-15-10-18(13-23-12-15)17-8-7-16-6-4-9-21(19(16)11-17)24-14(2)20(22)25-21/h7-8,10-13H,4,6,9H2,1-2H3,(H2,22,25)
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n/an/a 62n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136867
PNG
(US10231967, Example 104 | US8865911, 104 | US99189...)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cccc(Cl)c2Cl)CC1
Show InChI InChI=1/C24H25Cl2N3O/c1-14-22(27)29-24(28-14)19-12-15(18-4-3-5-20(25)21(18)26)6-7-16(19)13-23(24)10-8-17(30-2)9-11-23/h3-7,12,17H,8-11,13H2,1-2H3,(H2,27,29)/t17-,23-,24-/s2
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n/an/a 64n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136845
PNG
(US10231967, Example 82 | US8865911, 82 | US9918985...)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cncc(COCC(F)(F)F)c2)CC1
Show InChI InChI=1/C26H29F3N4O2/c1-16-23(30)33-26(32-16)22-10-18(20-9-17(12-31-13-20)14-35-15-25(27,28)29)3-4-19(22)11-24(26)7-5-21(34-2)6-8-24/h3-4,9-10,12-13,21H,5-8,11,14-15H2,1-2H3,(H2,30,33)/t21-,24-,26?
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n/an/a 66n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136826
PNG
(US10231967, Example 63 | US8865911, 63 | US9918985...)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cncc(C#CC)c2C)CC1
Show InChI InChI=1/C27H30N4O/c1-5-6-21-15-29-16-23(17(21)2)19-7-8-20-14-26(11-9-22(32-4)10-12-26)27(24(20)13-19)30-18(3)25(28)31-27/h7-8,13,15-16,22H,9-12,14H2,1-4H3,(H2,28,31)/t22-,26-,27?
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n/an/a 89n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM376608
PNG
(US9918985, Example 46a Isomer 2)
Show SMILES CC1=N[C@@]2(C[C@]3(CCCOC3)Oc3ccc(cc23)-c2cccc(Cl)c2)N=C1N
Show InChI InChI=1/C22H22ClN3O2/c1-14-20(24)26-22(25-14)12-21(8-3-9-27-13-21)28-19-7-6-16(11-18(19)22)15-4-2-5-17(23)10-15/h2,4-7,10-11H,3,8-9,12-13H2,1H3,(H2,24,26)/t21-,22-/s2
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n/an/a 91n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM376626
PNG
(US9918985, Example 50 Isomer 1)
Show SMILES CC1=N[C@]2(CC(Oc3ccc(cc23)-c2cccc(Cl)c2)[C@@H]2CCOC(C)(C)C2)N=C1N
Show InChI InChI=1/C25H28ClN3O2/c1-15-23(27)29-25(28-15)14-22(18-9-10-30-24(2,3)13-18)31-21-8-7-17(12-20(21)25)16-5-4-6-19(26)11-16/h4-8,11-12,18,22H,9-10,13-14H2,1-3H3,(H2,27,29)/t18-,22?,25-/s2
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n/an/a 100n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136807
PNG
(US10231967, Example 50-Isomeric-mixture-2 | US8865...)
Show SMILES CC1=NC2(CC(Oc3ccc(cc23)-c2cccc(Cl)c2)C2CCOC(C)(C)C2)N=C1N
Show InChI InChI=1/C25H28ClN3O2/c1-15-23(27)29-25(28-15)14-22(18-9-10-30-24(2,3)13-18)31-21-8-7-17(12-20(21)25)16-5-4-6-19(26)11-16/h4-8,11-12,18,22H,9-10,13-14H2,1-3H3,(H2,27,29)
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n/an/a 100n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136773
PNG
(US10231967, Example 26a | US8865911, 26a | US99189...)
Show SMILES CC1=NC2(N=C1N)c1cc(ccc1CC21CCOCC1)-c1cccc(Cl)c1
Show InChI InChI=1/C22H22ClN3O/c1-14-20(24)26-22(25-14)19-12-16(15-3-2-4-18(23)11-15)5-6-17(19)13-21(22)7-9-27-10-8-21/h2-6,11-12H,7-10,13H2,1H3,(H2,24,26)
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n/an/a 100n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136840
PNG
(US10231967, Example 78 | US8865911, 78 | US9918985...)
Show SMILES CC1=NC2(N=C1N)c1cc(ccc1CC21CC1)-c1cc(Cl)cc(c1)C#N
Show InChI InChI=1/C21H17ClN4/c1-12-19(24)26-21(25-12)18-9-14(2-3-15(18)10-20(21)4-5-20)16-6-13(11-23)7-17(22)8-16/h2-3,6-9H,4-5,10H2,1H3,(H2,24,26)
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n/an/a 101n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136711
PNG
(US10231967, Example 13d | US8865911, 13d | US99189...)
Show SMILES CC#CCOc1ccc(nc1)C(=O)Nc1ccc2OCCC3(N=C(C)C(N)=N3)c2c1
Show InChI InChI=1/C22H21N5O3/c1-3-4-10-29-16-6-7-18(24-13-16)21(28)25-15-5-8-19-17(12-15)22(9-11-30-19)26-14(2)20(23)27-22/h5-8,12-13H,9-11H2,1-2H3,(H2,23,27)(H,25,28)
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n/an/a 112n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136715
PNG
(US10231967, Example 15 | US8865911, 15 | US9918985...)
Show SMILES CC1=NC2(N=C1N)c1cc(Br)ccc1CC21CCC(CC1)OC(F)F
Show InChI InChI=1/C18H20BrF2N3O/c1-10-15(22)24-18(23-10)14-8-12(19)3-2-11(14)9-17(18)6-4-13(5-7-17)25-16(20)21/h2-3,8,13,16H,4-7,9H2,1H3,(H2,22,24)
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n/an/a 112n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136767
PNG
(US10231967, Example 20x | US8865911, 20x | US99189...)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(NC(=O)c4ccc(F)cn4)cc3C22N=C(C)C(N)=N2)CC1
Show InChI InChI=1/C24H26FN5O2/c1-14-21(26)30-24(29-14)19-11-17(28-22(31)20-6-4-16(25)13-27-20)5-3-15(19)12-23(24)9-7-18(32-2)8-10-23/h3-6,11,13,18H,7-10,12H2,1-2H3,(H2,26,30)(H,28,31)/t18-,23-,24?
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n/an/a 121n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM376607
PNG
(6'-(3-Chlorophenyl)-5-methyl-5'',6''-dihydro-4''H-...)
Show SMILES CC1=N[C@]2(C[C@@]3(CCCOC3)Oc3ccc(cc23)-c2cccc(Cl)c2)N=C1N
Show InChI InChI=1/C22H22ClN3O2/c1-14-20(24)26-22(25-14)12-21(8-3-9-27-13-21)28-19-7-6-16(11-18(19)22)15-4-2-5-17(23)10-15/h2,4-7,10-11H,3,8-9,12-13H2,1H3,(H2,24,26)/t21-,22-/s2
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n/an/a 124n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136774
PNG
(US10231967, Example 26c | US8865911, 26c | US99189...)
Show SMILES CC1=NC2(N=C1N)c1cc(ccc1CC21CCOCC1)-c1ccc(F)c(Cl)c1
Show InChI InChI=1/C22H21ClFN3O/c1-13-20(25)27-22(26-13)17-10-14(15-4-5-19(24)18(23)11-15)2-3-16(17)12-21(22)6-8-28-9-7-21/h2-5,10-11H,6-9,12H2,1H3,(H2,25,27)
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n/an/a 145n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM376610
PNG
(US9918985, Example 46b Isomer 2)
Show SMILES CC1=N[C@@]2(C[C@]3(CCCOC3)Oc3ccc(cc23)-c2ccc(F)c(Cl)c2)N=C1N
Show InChI InChI=1/C22H21ClFN3O2/c1-13-20(25)27-22(26-13)11-21(7-2-8-28-12-21)29-19-6-4-14(9-16(19)22)15-3-5-18(24)17(23)10-15/h3-6,9-10H,2,7-8,11-12H2,1H3,(H2,25,27)/t21-,22-/s2
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n/an/a 147n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136706
PNG
(US10231967, Example 1 | US8865911, 1 | US9918985, ...)
Show SMILES CC1=NC2(CCOc3ccc(cc23)-c2cc(Cl)cc(Cl)c2)N=C1N
Show InChI InChI=1/C18H15Cl2N3O/c1-10-17(21)23-18(22-10)4-5-24-16-3-2-11(8-15(16)18)12-6-13(19)9-14(20)7-12/h2-3,6-9H,4-5H2,1H3,(H2,21,23)
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n/an/a 157n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136724
PNG
(US10231967, Example 117 | US8865911, 155 | US88659...)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(Br)cc3C22N=C(C)C(N)=N2)CC1
Show InChI InChI=1/C18H22BrN3O/c1-11-16(20)22-18(21-11)15-9-13(19)4-3-12(15)10-17(18)7-5-14(23-2)6-8-17/h3-4,9,14H,5-8,10H2,1-2H3,(H2,20,22)/t14-,17-,18?
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n/an/a 163n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM376609
PNG
(6'-(3-Chloro-4-fluorophenyl)-5-methyl-5'',6''-dihy...)
Show SMILES CC1=N[C@]2(C[C@@]3(CCCOC3)Oc3ccc(cc23)-c2ccc(F)c(Cl)c2)N=C1N
Show InChI InChI=1/C22H21ClFN3O2/c1-13-20(25)27-22(26-13)11-21(7-2-8-28-12-21)29-19-6-4-14(9-16(19)22)15-3-5-18(24)17(23)10-15/h3-6,9-10H,2,7-8,11-12H2,1H3,(H2,25,27)/t21-,22-/s2
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n/an/a 180n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136842
PNG
(US10231967, Example 79 | US8865911, 79 | US9918985...)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)C#N)CC1
Show InChI InChI=1/C19H22N4O/c1-12-17(21)23-19(22-12)16-9-13(11-20)3-4-14(16)10-18(19)7-5-15(24-2)6-8-18/h3-4,9,15H,5-8,10H2,1-2H3,(H2,21,23)/t15-,18-,19?
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n/an/a 188n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136891
PNG
(US10231967, Example 123 | US8865911, 123 | US99189...)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cccc(C#CC)c2Cl)CC1
Show InChI InChI=1/C27H28ClN3O/c1-4-6-18-7-5-8-22(24(18)28)19-9-10-20-16-26(13-11-21(32-3)12-14-26)27(23(20)15-19)30-17(2)25(29)31-27/h5,7-10,15,21H,11-14,16H2,1-3H3,(H2,29,31)/t21-,26-,27?
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n/an/a 189n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136819
PNG
(US10231967, Example 55 | US8865911, 55 | US9918985...)
Show SMILES CC1=NC2(N=C1N)c1cc(ccc1CC21CCC1)-c1cncc(Cl)c1
Show InChI InChI=1/C20H19ClN4/c1-12-18(22)25-20(24-12)17-8-13(15-7-16(21)11-23-10-15)3-4-14(17)9-19(20)5-2-6-19/h3-4,7-8,10-11H,2,5-6,9H2,1H3,(H2,22,25)
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n/an/a 284n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136813
PNG
(US10231967, Example 52 | US8865911, 52 | US9918985...)
Show SMILES CC1=NC2(CCCc3ccc(cc23)-c2cncc(Cl)c2)N=C1N
Show InChI InChI=1/C18H17ClN4/c1-11-17(20)23-18(22-11)6-2-3-12-4-5-13(8-16(12)18)14-7-15(19)10-21-9-14/h4-5,7-10H,2-3,6H2,1H3,(H2,20,23)
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n/an/a 325n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136828
PNG
(US10231967, Example 64 | US8865911, 64 | US9918985...)
Show SMILES CCC1=NC2(N=C1N)c1cc(Br)ccc1C[C@@]21CC[C@@H](CC1)OC
Show InChI InChI=1/C19H24BrN3O/c1-3-16-17(21)23-19(22-16)15-10-13(20)5-4-12(15)11-18(19)8-6-14(24-2)7-9-18/h4-5,10,14H,3,6-9,11H2,1-2H3,(H2,21,23)/t14-,18-,19?
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n/an/a 401n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136781
PNG
(US10231967, Example 28d | US8865911, 28d | US99189...)
Show SMILES CC1=NC2(N=C1N)c1cc(NC(=O)c3ccc(Cl)cn3)ccc1CC21CCC(F)(F)CC1
Show InChI InChI=1/C23H22ClF2N5O/c1-13-19(27)31-23(30-13)17-10-16(29-20(32)18-5-3-15(24)12-28-18)4-2-14(17)11-21(23)6-8-22(25,26)9-7-21/h2-5,10,12H,6-9,11H2,1H3,(H2,27,31)(H,29,32)
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n/an/a 408n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136821
PNG
(US10231967, Example 58 | US8865911, 58 | US9918985...)
Show SMILES CC1=NC2(N=C1N)c1cc(ccc1CC21CCC1)C#CC1CC1
Show InChI InChI=1/C20H21N3/c1-13-18(21)23-20(22-13)17-11-15(6-5-14-3-4-14)7-8-16(17)12-19(20)9-2-10-19/h7-8,11,14H,2-4,9-10,12H2,1H3,(H2,21,23)
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n/an/a 523n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136714
PNG
(US10231967, Example 13i | US8865911, 13i | US99189...)
Show SMILES CC1=NC2(CCOc3ccc(NC(=O)c4ncc(Cl)cc4Cl)cc23)N=C1N
Show InChI InChI=1/C18H15Cl2N5O2/c1-9-16(21)25-18(24-9)4-5-27-14-3-2-11(7-12(14)18)23-17(26)15-13(20)6-10(19)8-22-15/h2-3,6-8H,4-5H2,1H3,(H2,21,25)(H,23,26)
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n/an/a 560n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136887
PNG
(US8865911, 115 | US9918985, Example 115)
Show SMILES CC1=NC2(N=C1N)c1cc(ccc1CC21CCC(=O)CC1)-c1cc(F)cc(c1)C#N
Show InChI InChI=1/C24H21FN4O/c1-14-22(27)29-24(28-14)21-11-16(18-8-15(13-26)9-19(25)10-18)2-3-17(21)12-23(24)6-4-20(30)5-7-23/h2-3,8-11H,4-7,12H2,1H3,(H2,27,29)
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n/an/a 632n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136835
PNG
(US10231967, Example 118 | US8865911, 75 | US886591...)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cc(F)cc(c2)C#N)CC1
Show InChI InChI=1/C25H25FN4O/c1-15-23(28)30-25(29-15)22-12-17(19-9-16(14-27)10-20(26)11-19)3-4-18(22)13-24(25)7-5-21(31-2)6-8-24/h3-4,9-12,21H,5-8,13H2,1-2H3,(H2,28,30)/t21-,24-,25?
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n/an/a 636n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136786
PNG
(US10231967, Example 29 | US8865911, 29 | US9918985...)
Show SMILES COC1CCC2(CC1)Oc1ccc(Br)cc1C21N=C(C)C(N)=N1
Show InChI InChI=1/C17H20BrN3O2/c1-10-15(19)21-17(20-10)13-9-11(18)3-4-14(13)23-16(17)7-5-12(22-2)6-8-16/h3-4,9,12H,5-8H2,1-2H3,(H2,19,21)
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n/an/a 674n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136707
PNG
(US10231967, Example 2 | US8865911, 2 | US9918985, ...)
Show SMILES CC1=NC2(CCOc3ccc(cc23)-c2cncc(Cl)c2)N=C1N
Show InChI InChI=1/C17H15ClN4O/c1-10-16(19)22-17(21-10)4-5-23-15-3-2-11(7-14(15)17)12-6-13(18)9-20-8-12/h2-3,6-9H,4-5H2,1H3,(H2,19,22)
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n/an/a 743n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136904
PNG
(US10231967, Example 129 | US8865911, 129 | US99189...)
Show SMILES CC1=NC2(N=C1N)c1cc(ccc1CC21CCC(CC1)C(F)F)-c1cncc(Cl)c1
Show InChI InChI=1/C23H23ClF2N4/c1-13-21(27)30-23(29-13)19-9-15(17-8-18(24)12-28-11-17)2-3-16(19)10-22(23)6-4-14(5-7-22)20(25)26/h2-3,8-9,11-12,14,20H,4-7,10H2,1H3,(H2,27,30)
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n/an/a 748n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136801
PNG
(US10231967, Example 48-Isomer-8 | US8865911, 48 Is...)
Show SMILES CC1=N[C@]2(C[C@@H](Oc3ccc(cc23)-c2cccc(Cl)c2)[C@H]2CCCOC2)N=C1N
Show InChI InChI=1/C23H24ClN3O2/c1-14-22(25)27-23(26-14)12-21(17-5-3-9-28-13-17)29-20-8-7-16(11-19(20)23)15-4-2-6-18(24)10-15/h2,4,6-8,10-11,17,21H,3,5,9,12-13H2,1H3,(H2,25,27)/t17-,21+,23+/s2
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n/an/a 803n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136908
PNG
(US10231967, Example 130 | US8865911, 130 | US99189...)
Show SMILES CCO[C@H]1CC[C@@]2(Cc3ccc(Br)cc3C22N=C(C)C(N)=N2)CC1
Show InChI InChI=1/C19H24BrN3O/c1-3-24-15-6-8-18(9-7-15)11-13-4-5-14(20)10-16(13)19(18)22-12(2)17(21)23-19/h4-5,10,15H,3,6-9,11H2,1-2H3,(H2,21,23)/t15-,18-,19?
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n/an/a 842n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM369524
PNG
(US10231967, Example 47-Isomer-8 | US9918985, Examp...)
Show SMILES CC1=N[C@]2(C[C@H](Oc3ccc(Br)cc23)[C@H]2CCCOC2)N=C1N
Show InChI InChI=1/C17H20BrN3O2/c1-10-16(19)21-17(20-10)8-15(11-3-2-6-22-9-11)23-14-5-4-12(18)7-13(14)17/h4-5,7,11,15H,2-3,6,8-9H2,1H3,(H2,19,21)/t11-,15-,17+/s2
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n/an/a 1.03E+3n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136709
PNG
(US10231967, Example 13a | US8865911, 13a | US99189...)
Show SMILES CC1=NC2(CCOc3ccc(NC(=O)c4ccc(Cl)cn4)cc23)N=C1N
Show InChI InChI=1/C18H16ClN5O2/c1-10-16(20)24-18(23-10)6-7-26-15-5-3-12(8-13(15)18)22-17(25)14-4-2-11(19)9-21-14/h2-5,8-9H,6-7H2,1H3,(H2,20,24)(H,22,25)
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n/an/a 1.30E+3n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM369520
PNG
(US10231967, Example 47-Isomer-2 | US9918985, Examp...)
Show SMILES CC1=N[C@]2(C[C@H](Oc3ccc(Br)cc23)[C@@H]2CCCOC2)N=C1N
Show InChI InChI=1/C17H20BrN3O2/c1-10-16(19)21-17(20-10)8-15(11-3-2-6-22-9-11)23-14-5-4-12(18)7-13(14)17/h4-5,7,11,15H,2-3,6,8-9H2,1H3,(H2,19,21)/t11-,15+,17-/s2
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n/an/a 1.38E+3n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136919
PNG
(US10231967, Example 10 | US8865911, 9 | US9918985,...)
Show SMILES COc1cccc(c1F)-c1ccc2OCCC3(N=C(C)C(N)=N3)c2c1
Show InChI InChI=1/C19H18FN3O2/c1-11-18(21)23-19(22-11)8-9-25-15-7-6-12(10-14(15)19)13-4-3-5-16(24-2)17(13)20/h3-7,10H,8-9H2,1-2H3,(H2,21,23)
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n/an/a 1.68E+3n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136708
PNG
(US10231967, Example 3 | US8865911, 3 | US9918985, ...)
Show SMILES CC1=NC2(CCOc3ccc(cc23)-c2cc(F)cc(F)c2)N=C1N
Show InChI InChI=1/C18H15F2N3O/c1-10-17(21)23-18(22-10)4-5-24-16-3-2-11(8-15(16)18)12-6-13(19)9-14(20)7-12/h2-3,6-9H,4-5H2,1H3,(H2,21,23)
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n/an/a 1.70E+3n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136778
PNG
(US10231967, Example 27 | US8865911, 27 | US9918985...)
Show SMILES CC1=NC2(N=C1N)c1cc(Br)ccc1CC21CCC(F)(F)CC1
Show InChI InChI=1/C17H18BrF2N3/c1-10-14(21)23-17(22-10)13-8-12(18)3-2-11(13)9-15(17)4-6-16(19,20)7-5-15/h2-3,8H,4-7,9H2,1H3,(H2,21,23)
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n/an/a 1.76E+3n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136922
PNG
(US10231967, Example 12 | US8865911, 12 | US9918985...)
Show SMILES COc1ccc(F)c(c1)-c1ccc2OCCC3(N=C(C)C(N)=N3)c2c1
Show InChI InChI=1/C19H18FN3O2/c1-11-18(21)23-19(22-11)7-8-25-17-6-3-12(9-15(17)19)14-10-13(24-2)4-5-16(14)20/h3-6,9-10H,7-8H2,1-2H3,(H2,21,23)
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n/an/a 1.80E+3n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136710
PNG
(US10231967, Example 13c | US8865911, 13c | US99189...)
Show SMILES CC1=NC2(CCOc3ccc(NC(=O)c4ccc(cn4)C(F)(F)F)cc23)N=C1N
Show InChI InChI=1/C19H16F3N5O2/c1-10-16(23)27-18(26-10)6-7-29-15-5-3-12(8-13(15)18)25-17(28)14-4-2-11(9-24-14)19(20,21)22/h2-5,8-9H,6-7H2,1H3,(H2,23,27)(H,25,28)
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n/an/a 1.89E+3n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136745
PNG
(US10231967, Example 20h | US8865911, 20h | US88659...)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)C#CC(C)(C)C)CC1
Show InChI InChI=1/C24H31N3O/c1-16-21(25)27-24(26-16)20-14-17(8-11-22(2,3)4)6-7-18(20)15-23(24)12-9-19(28-5)10-13-23/h6-7,14,19H,9-10,12-13,15H2,1-5H3,(H2,25,27)/t19-,23-,24?
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n/an/a 1.91E+3n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136921
PNG
(US10231967, Example 11 | US8865911, 11 | US9918985...)
Show SMILES CC1=NC2(CCOc3ccc(cc23)-c2cc(C)ccc2F)N=C1N
Show InChI InChI=1/C19H18FN3O/c1-11-3-5-16(20)14(9-11)13-4-6-17-15(10-13)19(7-8-24-17)22-12(2)18(21)23-19/h3-6,9-10H,7-8H2,1-2H3,(H2,21,23)
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n/an/a 1.98E+3n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136803
PNG
(US10231967, Example 48-Isomer-6 | US8865911, 48 Is...)
Show SMILES CC1=N[C@]2(C[C@H](Oc3ccc(cc23)-c2cccc(Cl)c2)[C@H]2CCCOC2)N=C1N
Show InChI InChI=1/C23H24ClN3O2/c1-14-22(25)27-23(26-14)12-21(17-5-3-9-28-13-17)29-20-8-7-16(11-19(20)23)15-4-2-6-18(24)10-15/h2,4,6-8,10-11,17,21H,3,5,9,12-13H2,1H3,(H2,25,27)/t17-,21-,23+/s2
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n/an/a 2.03E+3n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM369526
PNG
(US10231967, Example 48-Isomer-2 | US9918985, Examp...)
Show SMILES CC1=N[C@@]2(C[C@H](Oc3ccc(cc23)-c2cccc(Cl)c2)[C@H]2CCCOC2)N=C1N
Show InChI InChI=1/C23H24ClN3O2/c1-14-22(25)27-23(26-14)12-21(17-5-3-9-28-13-17)29-20-8-7-16(11-19(20)23)15-4-2-6-18(24)10-15/h2,4,6-8,10-11,17,21H,3,5,9,12-13H2,1H3,(H2,25,27)/t17-,21-,23-/s2
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n/an/a 2.57E+3n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136822
PNG
(US10231967, Example 59 | US8865911, 59 | US9918985...)
Show SMILES CC1=NC2(N=C1N)c1cc(ccc1CC21CCC1)C#CC(C)(C)C
Show InChI InChI=1/C21H25N3/c1-14-18(22)24-21(23-14)17-12-15(8-11-19(2,3)4)6-7-16(17)13-20(21)9-5-10-20/h6-7,12H,5,9-10,13H2,1-4H3,(H2,22,24)
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n/an/a 2.61E+3n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136903
PNG
(US10231967, Example 128 | US8865911, 128 | US99189...)
Show SMILES CC1=NC2(N=C1N)c1cc(Br)ccc1CC21CCC(CC1)C(F)F
Show InChI InChI=1/C18H20BrF2N3/c1-10-16(22)24-18(23-10)14-8-13(19)3-2-12(14)9-17(18)6-4-11(5-7-17)15(20)21/h2-3,8,11,15H,4-7,9H2,1H3,(H2,22,24)
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n/an/a 2.61E+3n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136914
PNG
(US10231967, Example 4 | US8865911, 4 | US9918985, ...)
Show SMILES CC1=NC2(CCOc3ccc(cc23)-c2cc(C)cc(C)c2)N=C1N
Show InChI InChI=1/C20H21N3O/c1-12-8-13(2)10-16(9-12)15-4-5-18-17(11-15)20(6-7-24-18)22-14(3)19(21)23-20/h4-5,8-11H,6-7H2,1-3H3,(H2,21,23)
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n/an/a 3.20E+3n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136726
PNG
(US8865911, 19 Isomer 4 | US9918985, Example 19 Iso...)
Show SMILES COC1CC[C@]2(Cc3ccc(Br)cc3[C@]22N=C(C)C(N)=N2)CC1
Show InChI InChI=1/C18H22BrN3O/c1-11-16(20)22-18(21-11)15-9-13(19)4-3-12(15)10-17(18)7-5-14(23-2)6-8-17/h3-4,9,14H,5-8,10H2,1-2H3,(H2,20,22)/t14?,17-,18-/s2
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n/an/a 3.33E+3n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136915
PNG
(US10231967, Example 5 | US8865911, 5 | US9918985, ...)
Show SMILES COc1ccc(OC)c(c1)-c1ccc2OCCC3(N=C(C)C(N)=N3)c2c1
Show InChI InChI=1/C20H21N3O3/c1-12-19(21)23-20(22-12)8-9-26-18-6-4-13(10-16(18)20)15-11-14(24-2)5-7-17(15)25-3/h4-7,10-11H,8-9H2,1-3H3,(H2,21,23)
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n/an/a 3.64E+3n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136916
PNG
(US10231967, Example 6 | US8865911, 6 | US9918985, ...)
Show SMILES CC1=NC2(CCOc3ccc(cc23)-c2cccc(F)c2F)N=C1N
Show InChI InChI=1/C18H15F2N3O/c1-10-17(21)23-18(22-10)7-8-24-15-6-5-11(9-13(15)18)12-3-2-4-14(19)16(12)20/h2-6,9H,7-8H2,1H3,(H2,21,23)
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n/an/a 4.25E+3n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136858
PNG
(US10231967, Example 93 | US8865911, 93 | US8865911...)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cc(Br)cc(c2)C#N)CC1
Show InChI InChI=1/C25H25BrN4O/c1-15-23(28)30-25(29-15)22-12-17(19-9-16(14-27)10-20(26)11-19)3-4-18(22)13-24(25)7-5-21(31-2)6-8-24/h3-4,9-12,21H,5-8,13H2,1-2H3,(H2,28,30)/t21-,24-,25?
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n/an/a 4.95E+3n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136855
PNG
(US10231967, Example 92-Isomer-2 | US8865911, 289 |...)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cc(OC)cc(c2)C#N)CC1
Show InChI InChI=1/C26H28N4O2/c1-16-24(28)30-26(29-16)23-13-18(20-10-17(15-27)11-22(12-20)32-3)4-5-19(23)14-25(26)8-6-21(31-2)7-9-25/h4-5,10-13,21H,6-9,14H2,1-3H3,(H2,28,30)/t21-,25-,26-/s2
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n/an/a 5.87E+3n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136713
PNG
(US10231967, Example 13f | US8865911, 13f | US99189...)
Show SMILES CC1=NC2(CCOc3ccc(NC(=O)c4ccc(C)s4)cc23)N=C1N
Show InChI InChI=1/C18H18N4O2S/c1-10-3-6-15(25-10)17(23)20-12-4-5-14-13(9-12)18(7-8-24-14)21-11(2)16(19)22-18/h3-6,9H,7-8H2,1-2H3,(H2,19,22)(H,20,23)
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n/an/a 6.46E+3n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136818
PNG
(US10231967, Example 54 | US8865911, 54 | US9918985...)
Show SMILES CC1=NC2(N=C1N)c1cc(Br)ccc1CC21CCC1
Show InChI InChI=1/C15H16BrN3/c1-9-13(17)19-15(18-9)12-7-11(16)4-3-10(12)8-14(15)5-2-6-14/h3-4,7H,2,5-6,8H2,1H3,(H2,17,19)
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n/an/a 6.61E+3n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136916
PNG
(US10231967, Example 6 | US8865911, 6 | US9918985, ...)
Show SMILES CC1=NC2(CCOc3ccc(cc23)-c2cccc(F)c2F)N=C1N
Show InChI InChI=1/C18H15F2N3O/c1-10-17(21)23-18(22-10)7-8-24-15-6-5-11(9-13(15)18)12-3-2-4-14(19)16(12)20/h2-6,9H,7-8H2,1H3,(H2,21,23)
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n/an/a 6.71E+3n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136832
PNG
(US10231967, Example 70 | US8865911, 70 | US8865911...)
Show SMILES CCC1=NC2(N=C1N)c1cc(ccc1C[C@@]21CC[C@@H](CC1)OC)-c1cccc(c1)C#N
Show InChI InChI=1/C26H28N4O/c1-3-23-24(28)30-26(29-23)22-14-19(18-6-4-5-17(13-18)16-27)7-8-20(22)15-25(26)11-9-21(31-2)10-12-25/h4-8,13-14,21H,3,9-12,15H2,1-2H3,(H2,28,30)/t21-,25-,26?
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n/an/a 6.72E+3n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136920
PNG
(US8865911, 10 | US9918985, Example 10)
Show SMILES COc1ccc(C)cc1-c1ccc2OCCC3(N=C(C)C(N)=N3)c2c1
Show InChI InChI=1/C20H21N3O2/c1-12-4-6-17(24-3)15(10-12)14-5-7-18-16(11-14)20(8-9-25-18)22-13(2)19(21)23-20/h4-7,10-11H,8-9H2,1-3H3,(H2,21,23)
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n/an/a 6.85E+3n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136802
PNG
(US10231967, Example 48-Isomer-7 | US8865911, 48 Is...)
Show SMILES CC1=N[C@]2(C[C@@H](Oc3ccc(cc23)-c2cccc(Cl)c2)[C@@H]2CCCOC2)N=C1N
Show InChI InChI=1/C23H24ClN3O2/c1-14-22(25)27-23(26-14)12-21(17-5-3-9-28-13-17)29-20-8-7-16(11-19(20)23)15-4-2-6-18(24)10-15/h2,4,6-8,10-11,17,21H,3,5,9,12-13H2,1H3,(H2,25,27)/t17-,21-,23-/s2
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n/an/a 7.04E+3n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136772
PNG
(US10231967, Example 25 | US8865911, 25 | US9918985...)
Show SMILES CC1=NC2(N=C1N)c1cc(Br)ccc1CC21CCOCC1
Show InChI InChI=1/C16H18BrN3O/c1-10-14(18)20-16(19-10)13-8-12(17)3-2-11(13)9-15(16)4-6-21-7-5-15/h2-3,8H,4-7,9H2,1H3,(H2,18,20)
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n/an/a 7.53E+3n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM50393099
PNG
(CHEMBL2152914 | US10231967, Example 122 | US991898...)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cncc(c2)C#CC)CC1
Show InChI InChI=1/C26H28N4O/c1-4-5-18-12-21(16-28-15-18)19-6-7-20-14-25(10-8-22(31-3)9-11-25)26(23(20)13-19)29-17(2)24(27)30-26/h6-7,12-13,15-16,22H,8-11,14H2,1-3H3,(H2,27,30)/t22-,25-,26?
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n/an/a 7.72E+3n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM376615
PNG
(US9918985, Example 47 Isomer 8)
Show SMILES CC1=N[C@]2(C[C@@H](Oc3ccc(Br)cc23)[C@@H]2CCCOC2)N=C1N
Show InChI InChI=1/C17H20BrN3O2/c1-10-16(19)21-17(20-10)8-15(11-3-2-6-22-9-11)23-14-5-4-12(18)7-13(14)17/h4-5,7,11,15H,2-3,6,8-9H2,1H3,(H2,19,21)/t11-,15-,17-/s2
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US Patent
n/an/a 8.10E+3n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM376588
PNG
(US9918985, Example 20t Isomer 2)
Show SMILES CO[C@H]1CC[C@]2(Cc3ccc(OCC(C)C)cc3C22N=C(C)C(N)=N2)CC1
Show InChI InChI=1/C22H31N3O2/c1-14(2)13-27-18-6-5-16-12-21(9-7-17(26-4)8-10-21)22(19(16)11-18)24-15(3)20(23)25-22/h5-6,11,14,17H,7-10,12-13H2,1-4H3,(H2,23,25)/t17-,21+,22?
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n/an/a 8.36E+3n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136830
PNG
(US10231967, Example 67 | US8865911, 67 | US8865911...)
Show SMILES CCC1=NC2(N=C1N)c1cc(ccc1C[C@@]21CC[C@@H](CC1)OC)-c1cncc(c1)C#CC
Show InChI InChI=1/C27H30N4O/c1-4-6-18-13-21(17-29-16-18)19-7-8-20-15-26(11-9-22(32-3)10-12-26)27(23(20)14-19)30-24(5-2)25(28)31-27/h7-8,13-14,16-17,22H,5,9-12,15H2,1-3H3,(H2,28,31)/t22-,26-,27?
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n/an/a 9.97E+3n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136725
PNG
(US10231967, Example 19 | US8865911, 156 | US886591...)
Show SMILES COC1CC[C@]2(Cc3ccc(Br)cc3[C@@]22N=C(C)C(N)=N2)CC1
Show InChI InChI=1/C18H22BrN3O/c1-11-16(20)22-18(21-11)15-9-13(19)4-3-12(15)10-17(18)7-5-14(23-2)6-8-17/h3-4,9,14H,5-8,10H2,1-2H3,(H2,20,22)/t14?,17-,18-/s2
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n/an/a 1.03E+4n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM50393101
PNG
(CHEMBL2152916 | US10231967, Example 20i | US886591...)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)C#CC2CC2)CC1
Show InChI InChI=1/C23H27N3O/c1-15-21(24)26-23(25-15)20-13-17(6-5-16-3-4-16)7-8-18(20)14-22(23)11-9-19(27-2)10-12-22/h7-8,13,16,19H,3-4,9-12,14H2,1-2H3,(H2,24,26)/t19-,22-,23?
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n/an/a 1.45E+4n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136947
PNG
(US10231967, Example 96 | US8865911, 97 Isomer 2 | ...)
Show SMILES COCc1cc(cc(c1)-c1ccc2C[C@@]3(CC[C@@H](CC3)OC)C3(N=C(C)C(N)=N3)c2c1)C#N
Show InChI InChI=1/C27H30N4O2/c1-17-25(29)31-27(30-17)24-13-20(22-11-18(15-28)10-19(12-22)16-32-2)4-5-21(24)14-26(27)8-6-23(33-3)7-9-26/h4-5,10-13,23H,6-9,14,16H2,1-3H3,(H2,29,31)/t23-,26-,27?
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n/an/a 1.54E+4n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136839
PNG
(US10231967, Example 77 | US8865911, 77 | US9918985...)
Show SMILES CC1=NC2(N=C1N)c1cc(Br)ccc1CC21CC1
Show InChI InChI=1/C14H14BrN3/c1-8-12(16)18-14(17-8)11-6-10(15)3-2-9(11)7-13(14)4-5-13/h2-3,6H,4-5,7H2,1H3,(H2,16,18)
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n/an/a 1.63E+4n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136918
PNG
(US10231967, Example 8 | US8865911, 8 | US9918985, ...)
Show SMILES COc1ccc(F)cc1-c1ccc2OCCC3(N=C(C)C(N)=N3)c2c1
Show InChI InChI=1/C19H18FN3O2/c1-11-18(21)23-19(22-11)7-8-25-17-5-3-12(9-15(17)19)14-10-13(20)4-6-16(14)24-2/h3-6,9-10H,7-8H2,1-2H3,(H2,21,23)
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n/an/a 1.63E+4n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136829
PNG
(US10231967, Example 65 | US8865911, 65 | US8865911...)
Show SMILES CCC1=NC2(N=C1N)c1cc(ccc1C[C@@]21CC[C@@H](CC1)OC)-c1cncc(Cl)c1
Show InChI InChI=1/C24H27ClN4O/c1-3-21-22(26)29-24(28-21)20-11-15(17-10-18(25)14-27-13-17)4-5-16(20)12-23(24)8-6-19(30-2)7-9-23/h4-5,10-11,13-14,19H,3,6-9,12H2,1-2H3,(H2,26,29)/t19-,23-,24?
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n/an/a 1.63E+4n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136725
PNG
(US10231967, Example 19 | US8865911, 156 | US886591...)
Show SMILES COC1CC[C@]2(Cc3ccc(Br)cc3[C@@]22N=C(C)C(N)=N2)CC1
Show InChI InChI=1/C18H22BrN3O/c1-11-16(20)22-18(21-11)15-9-13(19)4-3-12(15)10-17(18)7-5-14(23-2)6-8-17/h3-4,9,14H,5-8,10H2,1-2H3,(H2,20,22)/t14?,17-,18-/s2
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n/an/a 1.66E+4n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136894
PNG
(US10231967, Example 124 | US8865911, 124 | US99189...)
Show SMILES CC1=NC2(N=C1N)c1cc(Br)ccc1CC21CCC(CC1)C(F)(F)F
Show InChI InChI=1/C18H19BrF3N3/c1-10-15(23)25-17(24-10)14-8-13(19)3-2-11(14)9-16(17)6-4-12(5-7-16)18(20,21)22/h2-3,8,12H,4-7,9H2,1H3,(H2,23,25)
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n/an/a 1.93E+4n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM376613
PNG
(US9918985, Example 47 Isomer 5)
Show SMILES CC1=N[C@@]2(C[C@H](Oc3ccc(Br)cc23)[C@@H]2CCCOC2)N=C1N
Show InChI InChI=1/C17H20BrN3O2/c1-10-16(19)21-17(20-10)8-15(11-3-2-6-22-9-11)23-14-5-4-12(18)7-13(14)17/h4-5,7,11,15H,2-3,6,8-9H2,1H3,(H2,19,21)/t11-,15+,17+/s2
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n/an/a 1.98E+4n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM376632
PNG
(US9918985, Example 57 Isomer 2)
Show SMILES CC#Cc1cncc(c1)-c1ccc2C[C@]3(CCC3)[C@]3(N=C(C)C(N)=N3)c2c1
Show InChI InChI=1/C23H22N4/c1-3-5-16-10-19(14-25-13-16)17-6-7-18-12-22(8-4-9-22)23(20(18)11-17)26-15(2)21(24)27-23/h6-7,10-11,13-14H,4,8-9,12H2,1-2H3,(H2,24,27)/t23-/s2
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n/an/a 2.76E+4n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM369525
PNG
(US10231967, Example 48-Isomer-1 | US9918985, Examp...)
Show SMILES CC1=N[C@@]2(C[C@H](Oc3ccc(cc23)-c2cccc(Cl)c2)[C@@H]2CCCOC2)N=C1N
Show InChI InChI=1/C23H24ClN3O2/c1-14-22(25)27-23(26-14)12-21(17-5-3-9-28-13-17)29-20-8-7-16(11-19(20)23)15-4-2-6-18(24)10-15/h2,4,6-8,10-11,17,21H,3,5,9,12-13H2,1H3,(H2,25,27)/t17-,21+,23+/s2
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n/an/a 3.57E+4n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM376612
PNG
(US9918985, Example 47 Isomer 4)
Show SMILES CC1=N[C@]2(C[C@@H](Oc3ccc(Br)cc23)[C@H]2CCCOC2)N=C1N
Show InChI InChI=1/C17H20BrN3O2/c1-10-16(19)21-17(20-10)8-15(11-3-2-6-22-9-11)23-14-5-4-12(18)7-13(14)17/h4-5,7,11,15H,2-3,6,8-9H2,1H3,(H2,19,21)/t11-,15+,17+/s2
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n/an/a 6.53E+4n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136808
PNG
(US10231967, Example 51 | US8865911, 239 | US886591...)
Show SMILES CC1=NC2(CCCc3ccc(Br)cc23)N=C1N
Show InChI InChI=1/C13H14BrN3/c1-8-12(15)17-13(16-8)6-2-3-9-4-5-10(14)7-11(9)13/h4-5,7H,2-3,6H2,1H3,(H2,15,17)
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US Patent
n/an/a 7.56E+4n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

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