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Compile Data Set for Download or QSAR

Found 177 hits of Enz. Inhib. data with enzyme = 'Beta-secretase 1 (aa 1-460)' and Substrate = 'to-be-curated'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Beta-secretase 1 (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))
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))
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))
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))
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))
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))
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))
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))
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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US Patent
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))
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))
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))
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))
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))
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))
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))
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))
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))
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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US Patent
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))
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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US Patent
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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US Patent
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))
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))
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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US Patent
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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US Patent
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
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