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Patent code US10238743

Compile Data Set for Download or QSAR
Found 98 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Beta-secretase 1


(Homo sapiens (Human))
BDBM370640
PNG
(US10238743, Example 16)
Show SMILES CN1C(=N)N[C@@]2(C)[C@H](CCOc3ccc(NC(=O)c4ccc(cn4)C#N)cc23)S1(=O)=O
Show InChI InChI=1S/C20H20N6O4S/c1-20-14-9-13(24-18(27)15-5-3-12(10-21)11-23-15)4-6-16(14)30-8-7-17(20)31(28,29)26(2)19(22)25-20/h3-6,9,11,17H,7-8H2,1-2H3,(H2,22,25)(H,24,27)/t17-,20+/m0/s1
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Assay Description
A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay mo...


US Patent US10238743 (2019)


BindingDB Entry DOI: 10.7270/Q2JQ13BX
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM370635
PNG
(US10238743, Example 11)
Show SMILES CN1C(=N)N[C@@]2(C)[C@H](CCOc3ccc(NC(=O)c4ncc(Cl)cc4Cl)cc23)S1(=O)=O
Show InChI InChI=1S/C19H19Cl2N5O4S/c1-19-12-8-11(24-17(27)16-13(21)7-10(20)9-23-16)3-4-14(12)30-6-5-15(19)31(28,29)26(2)18(22)25-19/h3-4,7-9,15H,5-6H2,1-2H3,(H2,22,25)(H,24,27)/t15-,19+/m0/s1
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Assay Description
A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay mo...


US Patent US10238743 (2019)


BindingDB Entry DOI: 10.7270/Q2JQ13BX
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM370635
PNG
(US10238743, Example 11)
Show SMILES CN1C(=N)N[C@@]2(C)[C@H](CCOc3ccc(NC(=O)c4ncc(Cl)cc4Cl)cc23)S1(=O)=O
Show InChI InChI=1S/C19H19Cl2N5O4S/c1-19-12-8-11(24-17(27)16-13(21)7-10(20)9-23-16)3-4-14(12)30-6-5-15(19)31(28,29)26(2)18(22)25-19/h3-4,7-9,15H,5-6H2,1-2H3,(H2,22,25)(H,24,27)/t15-,19+/m0/s1
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US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10238743 (2019)


BindingDB Entry DOI: 10.7270/Q2JQ13BX
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM370661
PNG
(US10238743, Example 36)
Show SMILES CN1C(=N)N[C@@]2(C)[C@H](CCCc3ccc(NC(=O)c4ccc(cn4)C#N)cc23)S1(=O)=O
Show InChI InChI=1S/C21H22N6O3S/c1-21-16-10-15(25-19(28)17-9-6-13(11-22)12-24-17)8-7-14(16)4-3-5-18(21)31(29,30)27(2)20(23)26-21/h6-10,12,18H,3-5H2,1-2H3,(H2,23,26)(H,25,28)/t18-,21+/m0/s1
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Assay Description
A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay mo...


US Patent US10238743 (2019)


BindingDB Entry DOI: 10.7270/Q2JQ13BX
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM370637
PNG
(US10238743, Example 13)
Show SMILES CN1C(=N)N[C@@]2(C)[C@H](CCOc3ccc(NC(=O)c4ncc(Cl)cc4F)cc23)S1(=O)=O
Show InChI InChI=1S/C19H19ClFN5O4S/c1-19-12-8-11(24-17(27)16-13(21)7-10(20)9-23-16)3-4-14(12)30-6-5-15(19)31(28,29)26(2)18(22)25-19/h3-4,7-9,15H,5-6H2,1-2H3,(H2,22,25)(H,24,27)/t15-,19+/m0/s1
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Assay Description
A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay mo...


US Patent US10238743 (2019)


BindingDB Entry DOI: 10.7270/Q2JQ13BX
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM370637
PNG
(US10238743, Example 13)
Show SMILES CN1C(=N)N[C@@]2(C)[C@H](CCOc3ccc(NC(=O)c4ncc(Cl)cc4F)cc23)S1(=O)=O
Show InChI InChI=1S/C19H19ClFN5O4S/c1-19-12-8-11(24-17(27)16-13(21)7-10(20)9-23-16)3-4-14(12)30-6-5-15(19)31(28,29)26(2)18(22)25-19/h3-4,7-9,15H,5-6H2,1-2H3,(H2,22,25)(H,24,27)/t15-,19+/m0/s1
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US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10238743 (2019)


BindingDB Entry DOI: 10.7270/Q2JQ13BX
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM370636
PNG
(US10238743, Example 12)
Show SMILES CN1C(=N)N[C@@]2(C)[C@H](CCOc3ccc(NC(=O)c4ccc(OC(F)F)cn4)cc23)S1(=O)=O
Show InChI InChI=1S/C20H21F2N5O5S/c1-20-13-9-11(25-17(28)14-5-4-12(10-24-14)32-18(21)22)3-6-15(13)31-8-7-16(20)33(29,30)27(2)19(23)26-20/h3-6,9-10,16,18H,7-8H2,1-2H3,(H2,23,26)(H,25,28)/t16-,20+/m0/s1
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Assay Description
A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay mo...


US Patent US10238743 (2019)


BindingDB Entry DOI: 10.7270/Q2JQ13BX
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM370649
PNG
(US10238743, Example 25)
Show SMILES CN1C(=N)N[C@@]2(C)[C@H](CCCc3ccc(NC(=O)c4ncc(Cl)cc4F)cc23)S1(=O)=O
Show InChI InChI=1S/C20H21ClFN5O3S/c1-20-14-9-13(25-18(28)17-15(22)8-12(21)10-24-17)7-6-11(14)4-3-5-16(20)31(29,30)27(2)19(23)26-20/h6-10,16H,3-5H2,1-2H3,(H2,23,26)(H,25,28)/t16-,20+/m0/s1
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Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10238743 (2019)


BindingDB Entry DOI: 10.7270/Q2JQ13BX
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM370644
PNG
(US10238743, Example 20)
Show SMILES CN1C(=N)N[C@@]2(C)[C@H](CCOc3ccc(NC(=O)c4ncc(cc4Cl)C(F)(F)F)cc23)S1(=O)=O
Show InChI InChI=1S/C20H19ClF3N5O4S/c1-19-12-8-11(27-17(30)16-13(21)7-10(9-26-16)20(22,23)24)3-4-14(12)33-6-5-15(19)34(31,32)29(2)18(25)28-19/h3-4,7-9,15H,5-6H2,1-2H3,(H2,25,28)(H,27,30)/t15-,19+/m0/s1
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Assay Description
A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay mo...


US Patent US10238743 (2019)


BindingDB Entry DOI: 10.7270/Q2JQ13BX
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM370638
PNG
(US10238743, Example 14)
Show SMILES CN1C(=N)N[C@@]2(C)[C@H](CCOc3ccc(NC(=O)c4ccc(F)cn4)cc23)S1(=O)=O
Show InChI InChI=1S/C19H20FN5O4S/c1-19-13-9-12(23-17(26)14-5-3-11(20)10-22-14)4-6-15(13)29-8-7-16(19)30(27,28)25(2)18(21)24-19/h3-6,9-10,16H,7-8H2,1-2H3,(H2,21,24)(H,23,26)/t16-,19+/m0/s1
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Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10238743 (2019)


BindingDB Entry DOI: 10.7270/Q2JQ13BX
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM370639
PNG
(US10238743, Example 15)
Show SMILES CN1C(=N)N[C@@]2(C)[C@H](CCOc3ccc(NC(=O)c4ncc(F)cc4F)cc23)S1(=O)=O
Show InChI InChI=1S/C19H19F2N5O4S/c1-19-12-8-11(24-17(27)16-13(21)7-10(20)9-23-16)3-4-14(12)30-6-5-15(19)31(28,29)26(2)18(22)25-19/h3-4,7-9,15H,5-6H2,1-2H3,(H2,22,25)(H,24,27)/t15-,19+/m0/s1
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Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10238743 (2019)


BindingDB Entry DOI: 10.7270/Q2JQ13BX
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM370647
PNG
(US10238743, Example 23)
Show SMILES CN1C(=N)N[C@@]2(C)[C@H](CCCc3ccc(NC(=O)c4ccc(Cl)cn4)cc23)S1(=O)=O
Show InChI InChI=1S/C20H22ClN5O3S/c1-20-15-10-14(24-18(27)16-9-7-13(21)11-23-16)8-6-12(15)4-3-5-17(20)30(28,29)26(2)19(22)25-20/h6-11,17H,3-5H2,1-2H3,(H2,22,25)(H,24,27)/t17-,20+/m0/s1
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Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10238743 (2019)


BindingDB Entry DOI: 10.7270/Q2JQ13BX
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM370647
PNG
(US10238743, Example 23)
Show SMILES CN1C(=N)N[C@@]2(C)[C@H](CCCc3ccc(NC(=O)c4ccc(Cl)cn4)cc23)S1(=O)=O
Show InChI InChI=1S/C20H22ClN5O3S/c1-20-15-10-14(24-18(27)16-9-7-13(21)11-23-16)8-6-12(15)4-3-5-17(20)30(28,29)26(2)19(22)25-20/h6-11,17H,3-5H2,1-2H3,(H2,22,25)(H,24,27)/t17-,20+/m0/s1
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Assay Description
A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay mo...


US Patent US10238743 (2019)


BindingDB Entry DOI: 10.7270/Q2JQ13BX
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM370649
PNG
(US10238743, Example 25)
Show SMILES CN1C(=N)N[C@@]2(C)[C@H](CCCc3ccc(NC(=O)c4ncc(Cl)cc4F)cc23)S1(=O)=O
Show InChI InChI=1S/C20H21ClFN5O3S/c1-20-14-9-13(25-18(28)17-15(22)8-12(21)10-24-17)7-6-11(14)4-3-5-16(20)31(29,30)27(2)19(23)26-20/h6-10,16H,3-5H2,1-2H3,(H2,23,26)(H,25,28)/t16-,20+/m0/s1
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Assay Description
A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay mo...


US Patent US10238743 (2019)


BindingDB Entry DOI: 10.7270/Q2JQ13BX
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM370653
PNG
(US10238743, Example 28)
Show SMILES CN1C(=N)N[C@@]2(C)[C@H](CCCc3ccc(NC(=O)c4ccc(F)cn4)cc23)S1(=O)=O
Show InChI InChI=1S/C20H22FN5O3S/c1-20-15-10-14(24-18(27)16-9-7-13(21)11-23-16)8-6-12(15)4-3-5-17(20)30(28,29)26(2)19(22)25-20/h6-11,17H,3-5H2,1-2H3,(H2,22,25)(H,24,27)/t17-,20+/m0/s1
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Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10238743 (2019)


BindingDB Entry DOI: 10.7270/Q2JQ13BX
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM370643
PNG
(US10238743, Example 19)
Show SMILES CN1C(=N)N[C@@]2(C)[C@H](CCOc3ccc(NC(=O)c4ccc(OC(F)(F)F)cn4)cc23)S1(=O)=O
Show InChI InChI=1S/C20H20F3N5O5S/c1-19-13-9-11(26-17(29)14-5-4-12(10-25-14)33-20(21,22)23)3-6-15(13)32-8-7-16(19)34(30,31)28(2)18(24)27-19/h3-6,9-10,16H,7-8H2,1-2H3,(H2,24,27)(H,26,29)/t16-,19+/m0/s1
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Assay Description
A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay mo...


US Patent US10238743 (2019)


BindingDB Entry DOI: 10.7270/Q2JQ13BX
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM370639
PNG
(US10238743, Example 15)
Show SMILES CN1C(=N)N[C@@]2(C)[C@H](CCOc3ccc(NC(=O)c4ncc(F)cc4F)cc23)S1(=O)=O
Show InChI InChI=1S/C19H19F2N5O4S/c1-19-12-8-11(24-17(27)16-13(21)7-10(20)9-23-16)3-4-14(12)30-6-5-15(19)31(28,29)26(2)18(22)25-19/h3-4,7-9,15H,5-6H2,1-2H3,(H2,22,25)(H,24,27)/t15-,19+/m0/s1
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Assay Description
A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay mo...


US Patent US10238743 (2019)


BindingDB Entry DOI: 10.7270/Q2JQ13BX
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM370660
PNG
(US10238743, Example 35)
Show SMILES CN1C(=N)N[C@@]2(C)[C@H](CCCc3ccc(NC(=O)c4ncc(cc4C)C#N)cc23)S1(=O)=O
Show InChI InChI=1S/C22H24N6O3S/c1-13-9-14(11-23)12-25-19(13)20(29)26-16-8-7-15-5-4-6-18-22(2,17(15)10-16)27-21(24)28(3)32(18,30)31/h7-10,12,18H,4-6H2,1-3H3,(H2,24,27)(H,26,29)/t18-,22+/m0/s1
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Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10238743 (2019)


BindingDB Entry DOI: 10.7270/Q2JQ13BX
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM370655
PNG
(US10238743, Example 30)
Show SMILES CN1C(=N)N[C@@]2(C)[C@H](CCCc3ccc(NC(=O)c4ncc(cc4Cl)C(F)(F)F)cc23)S1(=O)=O
Show InChI InChI=1S/C21H21ClF3N5O3S/c1-20-14-9-13(28-18(31)17-15(22)8-12(10-27-17)21(23,24)25)7-6-11(14)4-3-5-16(20)34(32,33)30(2)19(26)29-20/h6-10,16H,3-5H2,1-2H3,(H2,26,29)(H,28,31)/t16-,20+/m0/s1
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Assay Description
A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay mo...


US Patent US10238743 (2019)


BindingDB Entry DOI: 10.7270/Q2JQ13BX
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM370651
PNG
(US10238743, Example 27)
Show SMILES COc1cc(Br)cnc1C(=O)Nc1ccc2CCC[C@H]3[C@](C)(NC(=N)N(C)S3(=O)=O)c2c1
Show InChI InChI=1S/C21H24BrN5O4S/c1-21-15-10-14(25-19(28)18-16(31-3)9-13(22)11-24-18)8-7-12(15)5-4-6-17(21)32(29,30)27(2)20(23)26-21/h7-11,17H,4-6H2,1-3H3,(H2,23,26)(H,25,28)/t17-,21+/m0/s1
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US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10238743 (2019)


BindingDB Entry DOI: 10.7270/Q2JQ13BX
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM370650
PNG
(US10238743, Example 26)
Show SMILES CN1C(=N)N[C@@]2(C)[C@H](CCCc3ccc(NC(=O)c4ncc(F)cc4F)cc23)S1(=O)=O
Show InChI InChI=1S/C20H21F2N5O3S/c1-20-14-9-13(25-18(28)17-15(22)8-12(21)10-24-17)7-6-11(14)4-3-5-16(20)31(29,30)27(2)19(23)26-20/h6-10,16H,3-5H2,1-2H3,(H2,23,26)(H,25,28)/t16-,20+/m0/s1
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US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10238743 (2019)


BindingDB Entry DOI: 10.7270/Q2JQ13BX
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM370638
PNG
(US10238743, Example 14)
Show SMILES CN1C(=N)N[C@@]2(C)[C@H](CCOc3ccc(NC(=O)c4ccc(F)cn4)cc23)S1(=O)=O
Show InChI InChI=1S/C19H20FN5O4S/c1-19-13-9-12(23-17(26)14-5-3-11(20)10-22-14)4-6-15(13)29-8-7-16(19)30(27,28)25(2)18(21)24-19/h3-6,9-10,16H,7-8H2,1-2H3,(H2,21,24)(H,23,26)/t16-,19+/m0/s1
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Assay Description
A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay mo...


US Patent US10238743 (2019)


BindingDB Entry DOI: 10.7270/Q2JQ13BX
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM370656
PNG
(US10238743, Example 31)
Show SMILES CN1C(=N)N[C@@]2(C)[C@H](CCCc3ccc(NC(=O)c4ncc(F)cc4C)cc23)S1(=O)=O
Show InChI InChI=1S/C21H24FN5O3S/c1-12-9-14(22)11-24-18(12)19(28)25-15-8-7-13-5-4-6-17-21(2,16(13)10-15)26-20(23)27(3)31(17,29)30/h7-11,17H,4-6H2,1-3H3,(H2,23,26)(H,25,28)/t17-,21+/m0/s1
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Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10238743 (2019)


BindingDB Entry DOI: 10.7270/Q2JQ13BX
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM370646
PNG
(US10238743, Example 22)
Show SMILES CN1C(=N)N[C@@]2(C)[C@H](CCCc3ccc(NC(=O)c4ccc(OC(F)F)cn4)cc23)S1(=O)=O
Show InChI InChI=1S/C21H23F2N5O4S/c1-21-15-10-13(26-18(29)16-9-8-14(11-25-16)32-19(22)23)7-6-12(15)4-3-5-17(21)33(30,31)28(2)20(24)27-21/h6-11,17,19H,3-5H2,1-2H3,(H2,24,27)(H,26,29)/t17-,21+/m0/s1
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Assay Description
A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay mo...


US Patent US10238743 (2019)


BindingDB Entry DOI: 10.7270/Q2JQ13BX
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM370642
PNG
(US10238743, Example 18)
Show SMILES CN1C(=N)N[C@@]2(C)[C@H](CCOc3ccc(NC(=O)c4ccc(cn4)C(F)(F)F)cc23)S1(=O)=O
Show InChI InChI=1S/C20H20F3N5O4S/c1-19-13-9-12(26-17(29)14-5-3-11(10-25-14)20(21,22)23)4-6-15(13)32-8-7-16(19)33(30,31)28(2)18(24)27-19/h3-6,9-10,16H,7-8H2,1-2H3,(H2,24,27)(H,26,29)/t16-,19+/m0/s1
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Assay Description
A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay mo...


US Patent US10238743 (2019)


BindingDB Entry DOI: 10.7270/Q2JQ13BX
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM370654
PNG
(US10238743, Example 29)
Show SMILES CN1C(=N)N[C@@]2(C)[C@H](CCCc3ccc(NC(=O)c4ccc(OC(F)(F)F)cn4)cc23)S1(=O)=O
Show InChI InChI=1S/C21H22F3N5O4S/c1-20-15-10-13(27-18(30)16-9-8-14(11-26-16)33-21(22,23)24)7-6-12(15)4-3-5-17(20)34(31,32)29(2)19(25)28-20/h6-11,17H,3-5H2,1-2H3,(H2,25,28)(H,27,30)/t17-,20+/m0/s1
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Assay Description
A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay mo...


US Patent US10238743 (2019)


BindingDB Entry DOI: 10.7270/Q2JQ13BX
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM370640
PNG
(US10238743, Example 16)
Show SMILES CN1C(=N)N[C@@]2(C)[C@H](CCOc3ccc(NC(=O)c4ccc(cn4)C#N)cc23)S1(=O)=O
Show InChI InChI=1S/C20H20N6O4S/c1-20-14-9-13(24-18(27)15-5-3-12(10-21)11-23-15)4-6-16(14)30-8-7-17(20)31(28,29)26(2)19(22)25-20/h3-6,9,11,17H,7-8H2,1-2H3,(H2,22,25)(H,24,27)/t17-,20+/m0/s1
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Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10238743 (2019)


BindingDB Entry DOI: 10.7270/Q2JQ13BX
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM370634
PNG
(US10238743, Example 10)
Show SMILES CN1C(=N)N[C@@]2(C)[C@H](CCOc3ccc(NC(=O)c4ccccn4)cc23)S1(=O)=O
Show InChI InChI=1S/C19H21N5O4S/c1-19-13-11-12(22-17(25)14-5-3-4-9-21-14)6-7-15(13)28-10-8-16(19)29(26,27)24(2)18(20)23-19/h3-7,9,11,16H,8,10H2,1-2H3,(H2,20,23)(H,22,25)/t16-,19+/m0/s1
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Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10238743 (2019)


BindingDB Entry DOI: 10.7270/Q2JQ13BX
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM370641
PNG
(US10238743, Example 17)
Show SMILES CN1C(=N)N[C@@]2(C)[C@H](CCOc3ccc(NC(=O)c4ccc(C)cn4)cc23)S1(=O)=O
Show InChI InChI=1S/C20H23N5O4S/c1-12-4-6-15(22-11-12)18(26)23-13-5-7-16-14(10-13)20(2)17(8-9-29-16)30(27,28)25(3)19(21)24-20/h4-7,10-11,17H,8-9H2,1-3H3,(H2,21,24)(H,23,26)/t17-,20+/m0/s1
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US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10238743 (2019)


BindingDB Entry DOI: 10.7270/Q2JQ13BX
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM370659
PNG
(US10238743, Example 34)
Show SMILES COc1cnc(cn1)C(=O)Nc1ccc2CCC[C@H]3[C@](C)(NC(=N)N(C)S3(=O)=O)c2c1
Show InChI InChI=1S/C20H24N6O4S/c1-20-14-9-13(24-18(27)15-10-23-17(30-3)11-22-15)8-7-12(14)5-4-6-16(20)31(28,29)26(2)19(21)25-20/h7-11,16H,4-6H2,1-3H3,(H2,21,25)(H,24,27)/t16-,20+/m0/s1
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Assay Description
A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay mo...


US Patent US10238743 (2019)


BindingDB Entry DOI: 10.7270/Q2JQ13BX
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM370651
PNG
(US10238743, Example 27)
Show SMILES COc1cc(Br)cnc1C(=O)Nc1ccc2CCC[C@H]3[C@](C)(NC(=N)N(C)S3(=O)=O)c2c1
Show InChI InChI=1S/C21H24BrN5O4S/c1-21-15-10-14(25-19(28)18-16(31-3)9-13(22)11-24-18)8-7-12(15)5-4-6-17(21)32(29,30)27(2)20(23)26-21/h7-11,17H,4-6H2,1-3H3,(H2,23,26)(H,25,28)/t17-,21+/m0/s1
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Assay Description
A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay mo...


US Patent US10238743 (2019)


BindingDB Entry DOI: 10.7270/Q2JQ13BX
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM370653
PNG
(US10238743, Example 28)
Show SMILES CN1C(=N)N[C@@]2(C)[C@H](CCCc3ccc(NC(=O)c4ccc(F)cn4)cc23)S1(=O)=O
Show InChI InChI=1S/C20H22FN5O3S/c1-20-15-10-14(24-18(27)16-9-7-13(21)11-23-16)8-6-12(15)4-3-5-17(20)30(28,29)26(2)19(22)25-20/h6-11,17H,3-5H2,1-2H3,(H2,22,25)(H,24,27)/t17-,20+/m0/s1
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Assay Description
A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay mo...


US Patent US10238743 (2019)


BindingDB Entry DOI: 10.7270/Q2JQ13BX
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM370641
PNG
(US10238743, Example 17)
Show SMILES CN1C(=N)N[C@@]2(C)[C@H](CCOc3ccc(NC(=O)c4ccc(C)cn4)cc23)S1(=O)=O
Show InChI InChI=1S/C20H23N5O4S/c1-12-4-6-15(22-11-12)18(26)23-13-5-7-16-14(10-13)20(2)17(8-9-29-16)30(27,28)25(3)19(21)24-20/h4-7,10-11,17H,8-9H2,1-3H3,(H2,21,24)(H,23,26)/t17-,20+/m0/s1
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Assay Description
A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay mo...


US Patent US10238743 (2019)


BindingDB Entry DOI: 10.7270/Q2JQ13BX
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM370650
PNG
(US10238743, Example 26)
Show SMILES CN1C(=N)N[C@@]2(C)[C@H](CCCc3ccc(NC(=O)c4ncc(F)cc4F)cc23)S1(=O)=O
Show InChI InChI=1S/C20H21F2N5O3S/c1-20-14-9-13(25-18(28)17-15(22)8-12(21)10-24-17)7-6-11(14)4-3-5-16(20)31(29,30)27(2)19(23)26-20/h6-10,16H,3-5H2,1-2H3,(H2,23,26)(H,25,28)/t16-,20+/m0/s1
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Assay Description
A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay mo...


US Patent US10238743 (2019)


BindingDB Entry DOI: 10.7270/Q2JQ13BX
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM370656
PNG
(US10238743, Example 31)
Show SMILES CN1C(=N)N[C@@]2(C)[C@H](CCCc3ccc(NC(=O)c4ncc(F)cc4C)cc23)S1(=O)=O
Show InChI InChI=1S/C21H24FN5O3S/c1-12-9-14(22)11-24-18(12)19(28)25-15-8-7-13-5-4-6-17-21(2,16(13)10-15)26-20(23)27(3)31(17,29)30/h7-11,17H,4-6H2,1-3H3,(H2,23,26)(H,25,28)/t17-,21+/m0/s1
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Assay Description
A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay mo...


US Patent US10238743 (2019)


BindingDB Entry DOI: 10.7270/Q2JQ13BX
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM370660
PNG
(US10238743, Example 35)
Show SMILES CN1C(=N)N[C@@]2(C)[C@H](CCCc3ccc(NC(=O)c4ncc(cc4C)C#N)cc23)S1(=O)=O
Show InChI InChI=1S/C22H24N6O3S/c1-13-9-14(11-23)12-25-19(13)20(29)26-16-8-7-15-5-4-6-18-22(2,17(15)10-16)27-21(24)28(3)32(18,30)31/h7-10,12,18H,4-6H2,1-3H3,(H2,24,27)(H,26,29)/t18-,22+/m0/s1
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Assay Description
A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay mo...


US Patent US10238743 (2019)


BindingDB Entry DOI: 10.7270/Q2JQ13BX
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM370661
PNG
(US10238743, Example 36)
Show SMILES CN1C(=N)N[C@@]2(C)[C@H](CCCc3ccc(NC(=O)c4ccc(cn4)C#N)cc23)S1(=O)=O
Show InChI InChI=1S/C21H22N6O3S/c1-21-16-10-15(25-19(28)17-9-6-13(11-22)12-24-17)8-7-14(16)4-3-5-18(21)31(29,30)27(2)20(23)26-21/h6-10,12,18H,3-5H2,1-2H3,(H2,23,26)(H,25,28)/t18-,21+/m0/s1
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US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10238743 (2019)


BindingDB Entry DOI: 10.7270/Q2JQ13BX
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM370628
PNG
(US10238743, Example 6)
Show SMILES CN1C(=N)N[C@@]2(C)[C@@H](CCOc3ccc(NC(=O)c4ccc(OCC#C)cn4)cc23)S1(=O)=O
Show InChI InChI=1S/C22H23N5O5S/c1-4-10-31-15-6-7-17(24-13-15)20(28)25-14-5-8-18-16(12-14)22(2)19(9-11-32-18)33(29,30)27(3)21(23)26-22/h1,5-8,12-13,19H,9-11H2,2-3H3,(H2,23,26)(H,25,28)/t19-,22-/m1/s1
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Assay Description
A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay mo...


US Patent US10238743 (2019)


BindingDB Entry DOI: 10.7270/Q2JQ13BX
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM370657
PNG
(US10238743, Example 32)
Show SMILES COc1cnc(C(=O)Nc2ccc3CCC[C@H]4[C@](C)(NC(=N)N(C)S4(=O)=O)c3c2)c(C)c1
Show InChI InChI=1S/C22H27N5O4S/c1-13-10-16(31-4)12-24-19(13)20(28)25-15-9-8-14-6-5-7-18-22(2,17(14)11-15)26-21(23)27(3)32(18,29)30/h8-12,18H,5-7H2,1-4H3,(H2,23,26)(H,25,28)/t18-,22+/m0/s1
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Assay Description
A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay mo...


US Patent US10238743 (2019)


BindingDB Entry DOI: 10.7270/Q2JQ13BX
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM370645
PNG
(US10238743, Example 21)
Show SMILES CN1C(=N)N[C@@]2(C)[C@H](CCCc3ccc(NC(=O)c4ccc(C)cn4)cc23)S1(=O)=O
Show InChI InChI=1S/C21H25N5O3S/c1-13-7-10-17(23-12-13)19(27)24-15-9-8-14-5-4-6-18-21(2,16(14)11-15)25-20(22)26(3)30(18,28)29/h7-12,18H,4-6H2,1-3H3,(H2,22,25)(H,24,27)/t18-,21+/m0/s1
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US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10238743 (2019)


BindingDB Entry DOI: 10.7270/Q2JQ13BX
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM370657
PNG
(US10238743, Example 32)
Show SMILES COc1cnc(C(=O)Nc2ccc3CCC[C@H]4[C@](C)(NC(=N)N(C)S4(=O)=O)c3c2)c(C)c1
Show InChI InChI=1S/C22H27N5O4S/c1-13-10-16(31-4)12-24-19(13)20(28)25-15-9-8-14-6-5-7-18-22(2,17(14)11-15)26-21(23)27(3)32(18,29)30/h8-12,18H,5-7H2,1-4H3,(H2,23,26)(H,25,28)/t18-,22+/m0/s1
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US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10238743 (2019)


BindingDB Entry DOI: 10.7270/Q2JQ13BX
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM370634
PNG
(US10238743, Example 10)
Show SMILES CN1C(=N)N[C@@]2(C)[C@H](CCOc3ccc(NC(=O)c4ccccn4)cc23)S1(=O)=O
Show InChI InChI=1S/C19H21N5O4S/c1-19-13-11-12(22-17(25)14-5-3-4-9-21-14)6-7-15(13)28-10-8-16(19)29(26,27)24(2)18(20)23-19/h3-7,9,11,16H,8,10H2,1-2H3,(H2,20,23)(H,22,25)/t16-,19+/m0/s1
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Assay Description
A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay mo...


US Patent US10238743 (2019)


BindingDB Entry DOI: 10.7270/Q2JQ13BX
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM370644
PNG
(US10238743, Example 20)
Show SMILES CN1C(=N)N[C@@]2(C)[C@H](CCOc3ccc(NC(=O)c4ncc(cc4Cl)C(F)(F)F)cc23)S1(=O)=O
Show InChI InChI=1S/C20H19ClF3N5O4S/c1-19-12-8-11(27-17(30)16-13(21)7-10(9-26-16)20(22,23)24)3-4-14(12)33-6-5-15(19)34(31,32)29(2)18(25)28-19/h3-4,7-9,15H,5-6H2,1-2H3,(H2,25,28)(H,27,30)/t15-,19+/m0/s1
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US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10238743 (2019)


BindingDB Entry DOI: 10.7270/Q2JQ13BX
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM370669
PNG
(US10238743, Example 44)
Show SMILES COc1cnc2c(Nc3ccc4CCC[C@H]5[C@](C)(NC(=N)N(C)S5(=O)=O)c4c3)nccc2n1
Show InChI InChI=1S/C22H25N7O3S/c1-22-15-11-14(26-20-19-16(9-10-24-20)27-18(32-3)12-25-19)8-7-13(15)5-4-6-17(22)33(30,31)29(2)21(23)28-22/h7-12,17H,4-6H2,1-3H3,(H2,23,28)(H,24,26)/t17-,22+/m0/s1
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Assay Description
A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay mo...


US Patent US10238743 (2019)


BindingDB Entry DOI: 10.7270/Q2JQ13BX
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM370645
PNG
(US10238743, Example 21)
Show SMILES CN1C(=N)N[C@@]2(C)[C@H](CCCc3ccc(NC(=O)c4ccc(C)cn4)cc23)S1(=O)=O
Show InChI InChI=1S/C21H25N5O3S/c1-13-7-10-17(23-12-13)19(27)24-15-9-8-14-5-4-6-18-21(2,16(14)11-15)25-20(22)26(3)30(18,28)29/h7-12,18H,4-6H2,1-3H3,(H2,22,25)(H,24,27)/t18-,21+/m0/s1
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Assay Description
A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay mo...


US Patent US10238743 (2019)


BindingDB Entry DOI: 10.7270/Q2JQ13BX
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM370627
PNG
(US10238743, Example 5)
Show SMILES CN1C(=N)N[C@@]2(C)[C@@H](CCOc3ccc(NC(=O)c4ccc(cn4)C#N)cc23)S1(=O)=O
Show InChI InChI=1S/C20H20N6O4S/c1-20-14-9-13(24-18(27)15-5-3-12(10-21)11-23-15)4-6-16(14)30-8-7-17(20)31(28,29)26(2)19(22)25-20/h3-6,9,11,17H,7-8H2,1-2H3,(H2,22,25)(H,24,27)/t17-,20-/m1/s1
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Assay Description
A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay mo...


US Patent US10238743 (2019)


BindingDB Entry DOI: 10.7270/Q2JQ13BX
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM370658
PNG
(US10238743, Example 33)
Show SMILES COc1cnc(C(=O)Nc2ccc3CCC[C@H]4[C@](C)(NC(=N)N(C)S4(=O)=O)c3c2)c(C)n1
Show InChI InChI=1S/C21H26N6O4S/c1-12-18(23-11-17(24-12)31-4)19(28)25-14-9-8-13-6-5-7-16-21(2,15(13)10-14)26-20(22)27(3)32(16,29)30/h8-11,16H,5-7H2,1-4H3,(H2,22,26)(H,25,28)/t16-,21+/m0/s1
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Assay Description
A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay mo...


US Patent US10238743 (2019)


BindingDB Entry DOI: 10.7270/Q2JQ13BX
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM370659
PNG
(US10238743, Example 34)
Show SMILES COc1cnc(cn1)C(=O)Nc1ccc2CCC[C@H]3[C@](C)(NC(=N)N(C)S3(=O)=O)c2c1
Show InChI InChI=1S/C20H24N6O4S/c1-20-14-9-13(24-18(27)15-10-23-17(30-3)11-22-15)8-7-12(14)5-4-6-16(20)31(28,29)26(2)19(21)25-20/h7-11,16H,4-6H2,1-3H3,(H2,21,25)(H,24,27)/t16-,20+/m0/s1
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US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10238743 (2019)


BindingDB Entry DOI: 10.7270/Q2JQ13BX
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM370668
PNG
(US10238743, Example 43)
Show SMILES COc1cnc2c(Nc3ccc4OCC[C@H]5[C@](C)(NC(=N)N(C)S5(=O)=O)c4c3)nccc2c1
Show InChI InChI=1S/C22H24N6O4S/c1-22-16-11-14(26-20-19-13(6-8-24-20)10-15(31-3)12-25-19)4-5-17(16)32-9-7-18(22)33(29,30)28(2)21(23)27-22/h4-6,8,10-12,18H,7,9H2,1-3H3,(H2,23,27)(H,24,26)/t18-,22+/m0/s1
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Assay Description
A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay mo...


US Patent US10238743 (2019)


BindingDB Entry DOI: 10.7270/Q2JQ13BX
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM370636
PNG
(US10238743, Example 12)
Show SMILES CN1C(=N)N[C@@]2(C)[C@H](CCOc3ccc(NC(=O)c4ccc(OC(F)F)cn4)cc23)S1(=O)=O
Show InChI InChI=1S/C20H21F2N5O5S/c1-20-13-9-11(25-17(28)14-5-4-12(10-24-14)32-18(21)22)3-6-15(13)31-8-7-16(20)33(29,30)27(2)19(23)26-20/h3-6,9-10,16,18H,7-8H2,1-2H3,(H2,23,26)(H,25,28)/t16-,20+/m0/s1
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US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10238743 (2019)


BindingDB Entry DOI: 10.7270/Q2JQ13BX
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM370666
PNG
(US10238743, Example 41)
Show SMILES COc1cnc2c(Nc3ccc4OCC[C@H]5[C@](C)(NC(=N)N(C)S5(=O)=O)c4c3)nccc2n1
Show InChI InChI=1S/C21H23N7O4S/c1-21-13-10-12(25-19-18-14(6-8-23-19)26-17(31-3)11-24-18)4-5-15(13)32-9-7-16(21)33(29,30)28(2)20(22)27-21/h4-6,8,10-11,16H,7,9H2,1-3H3,(H2,22,27)(H,23,25)/t16-,21+/m0/s1
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Assay Description
A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay mo...


US Patent US10238743 (2019)


BindingDB Entry DOI: 10.7270/Q2JQ13BX
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM370664
PNG
(US10238743, Example 39)
Show SMILES CN1C(=N)N[C@@]2(C)[C@@H](CCCc3ccc(NC(=O)c4ccc(cn4)C#N)cc23)S1(=O)=O
Show InChI InChI=1S/C21H22N6O3S/c1-21-16-10-15(25-19(28)17-9-6-13(11-22)12-24-17)8-7-14(16)4-3-5-18(21)31(29,30)27(2)20(23)26-21/h6-10,12,18H,3-5H2,1-2H3,(H2,23,26)(H,25,28)/t18-,21-/m1/s1
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Assay Description
A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay mo...


US Patent US10238743 (2019)


BindingDB Entry DOI: 10.7270/Q2JQ13BX
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM370621
PNG
(US10238743, Example 1)
Show SMILES CN1C(=N)N[C@@]2(C)[C@@H](CCOc3ccc(NC(=O)c4ccc(Cl)cn4)cc23)S1(=O)=O
Show InChI InChI=1S/C19H20ClN5O4S/c1-19-13-9-12(23-17(26)14-5-3-11(20)10-22-14)4-6-15(13)29-8-7-16(19)30(27,28)25(2)18(21)24-19/h3-6,9-10,16H,7-8H2,1-2H3,(H2,21,24)(H,23,26)/t16-,19-/m1/s1
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US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10238743 (2019)


BindingDB Entry DOI: 10.7270/Q2JQ13BX
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM370621
PNG
(US10238743, Example 1)
Show SMILES CN1C(=N)N[C@@]2(C)[C@@H](CCOc3ccc(NC(=O)c4ccc(Cl)cn4)cc23)S1(=O)=O
Show InChI InChI=1S/C19H20ClN5O4S/c1-19-13-9-12(23-17(26)14-5-3-11(20)10-22-14)4-6-15(13)29-8-7-16(19)30(27,28)25(2)18(21)24-19/h3-6,9-10,16H,7-8H2,1-2H3,(H2,21,24)(H,23,26)/t16-,19-/m1/s1
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Assay Description
A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay mo...


US Patent US10238743 (2019)


BindingDB Entry DOI: 10.7270/Q2JQ13BX
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM370642
PNG
(US10238743, Example 18)
Show SMILES CN1C(=N)N[C@@]2(C)[C@H](CCOc3ccc(NC(=O)c4ccc(cn4)C(F)(F)F)cc23)S1(=O)=O
Show InChI InChI=1S/C20H20F3N5O4S/c1-19-13-9-12(26-17(29)14-5-3-11(10-25-14)20(21,22)23)4-6-15(13)32-8-7-16(19)33(30,31)28(2)18(24)27-19/h3-6,9-10,16H,7-8H2,1-2H3,(H2,24,27)(H,26,29)/t16-,19+/m0/s1
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US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10238743 (2019)


BindingDB Entry DOI: 10.7270/Q2JQ13BX
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM370663
PNG
(US10238743, Example 38)
Show SMILES CN1C(=N)N[C@@]2(C)[C@@H](CCCc3ccc(NC(=O)c4ccc(OC(F)F)cn4)cc23)S1(=O)=O
Show InChI InChI=1S/C21H23F2N5O4S/c1-21-15-10-13(26-18(29)16-9-8-14(11-25-16)32-19(22)23)7-6-12(15)4-3-5-17(21)33(30,31)28(2)20(24)27-21/h6-11,17,19H,3-5H2,1-2H3,(H2,24,27)(H,26,29)/t17-,21-/m1/s1
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Assay Description
A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay mo...


US Patent US10238743 (2019)


BindingDB Entry DOI: 10.7270/Q2JQ13BX
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM370655
PNG
(US10238743, Example 30)
Show SMILES CN1C(=N)N[C@@]2(C)[C@H](CCCc3ccc(NC(=O)c4ncc(cc4Cl)C(F)(F)F)cc23)S1(=O)=O
Show InChI InChI=1S/C21H21ClF3N5O3S/c1-20-14-9-13(28-18(31)17-15(22)8-12(10-27-17)21(23,24)25)7-6-11(14)4-3-5-16(20)34(32,33)30(2)19(26)29-20/h6-10,16H,3-5H2,1-2H3,(H2,26,29)(H,28,31)/t16-,20+/m0/s1
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US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10238743 (2019)


BindingDB Entry DOI: 10.7270/Q2JQ13BX
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM370658
PNG
(US10238743, Example 33)
Show SMILES COc1cnc(C(=O)Nc2ccc3CCC[C@H]4[C@](C)(NC(=N)N(C)S4(=O)=O)c3c2)c(C)n1
Show InChI InChI=1S/C21H26N6O4S/c1-12-18(23-11-17(24-12)31-4)19(28)25-14-9-8-13-6-5-7-16-21(2,15(13)10-14)26-20(22)27(3)32(16,29)30/h8-11,16H,5-7H2,1-4H3,(H2,22,26)(H,25,28)/t16-,21+/m0/s1
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86n/an/an/an/an/an/an/an/a



TBA

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10238743 (2019)


BindingDB Entry DOI: 10.7270/Q2JQ13BX
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM370632
PNG
(US10238743, Example 8)
Show SMILES CN1C(=N)N[C@@]2(C)[C@@H](CCOc3ccc(NC(=O)c4ncc(F)cc4C)cc23)S1(=O)=O
Show InChI InChI=1S/C20H22FN5O4S/c1-11-8-12(21)10-23-17(11)18(27)24-13-4-5-15-14(9-13)20(2)16(6-7-30-15)31(28,29)26(3)19(22)25-20/h4-5,8-10,16H,6-7H2,1-3H3,(H2,22,25)(H,24,27)/t16-,20-/m1/s1
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86n/an/an/an/an/an/an/an/a



TBA

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10238743 (2019)


BindingDB Entry DOI: 10.7270/Q2JQ13BX
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM370646
PNG
(US10238743, Example 22)
Show SMILES CN1C(=N)N[C@@]2(C)[C@H](CCCc3ccc(NC(=O)c4ccc(OC(F)F)cn4)cc23)S1(=O)=O
Show InChI InChI=1S/C21H23F2N5O4S/c1-21-15-10-13(26-18(29)16-9-8-14(11-25-16)32-19(22)23)7-6-12(15)4-3-5-17(21)33(30,31)28(2)20(24)27-21/h6-11,17,19H,3-5H2,1-2H3,(H2,24,27)(H,26,29)/t17-,21+/m0/s1
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90n/an/an/an/an/an/an/an/a



TBA

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10238743 (2019)


BindingDB Entry DOI: 10.7270/Q2JQ13BX
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM370662
PNG
(US10238743, Example 37)
Show SMILES CN1C(=N)N[C@@]2(C)[C@@H](CCCc3ccc(NC(=O)c4ccc(F)cn4)cc23)S1(=O)=O
Show InChI InChI=1S/C20H22FN5O3S/c1-20-15-10-14(24-18(27)16-9-7-13(21)11-23-16)8-6-12(15)4-3-5-17(20)30(28,29)26(2)19(22)25-20/h6-11,17H,3-5H2,1-2H3,(H2,22,25)(H,24,27)/t17-,20-/m1/s1
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96n/an/an/an/an/an/an/an/a



TBA

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10238743 (2019)


BindingDB Entry DOI: 10.7270/Q2JQ13BX
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM370643
PNG
(US10238743, Example 19)
Show SMILES CN1C(=N)N[C@@]2(C)[C@H](CCOc3ccc(NC(=O)c4ccc(OC(F)(F)F)cn4)cc23)S1(=O)=O
Show InChI InChI=1S/C20H20F3N5O5S/c1-19-13-9-11(26-17(29)14-5-4-12(10-25-14)33-20(21,22)23)3-6-15(13)32-8-7-16(19)34(30,31)28(2)18(24)27-19/h3-6,9-10,16H,7-8H2,1-2H3,(H2,24,27)(H,26,29)/t16-,19+/m0/s1
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104n/an/an/an/an/an/an/an/a



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US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10238743 (2019)


BindingDB Entry DOI: 10.7270/Q2JQ13BX
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM370630
PNG
(US10238743, Example 7)
Show SMILES CN1C(=N)N[C@@]2(C)[C@@H](CCOc3ccc(NC(=O)c4ccc(F)cn4)cc23)S1(=O)=O
Show InChI InChI=1S/C19H20FN5O4S/c1-19-13-9-12(23-17(26)14-5-3-11(20)10-22-14)4-6-15(13)29-8-7-16(19)30(27,28)25(2)18(21)24-19/h3-6,9-10,16H,7-8H2,1-2H3,(H2,21,24)(H,23,26)/t16-,19-/m1/s1
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US Patent


Assay Description
A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay mo...


US Patent US10238743 (2019)


BindingDB Entry DOI: 10.7270/Q2JQ13BX
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM370671
PNG
(US10238743, Example 46)
Show SMILES COc1cnc2c(Nc3ccc4CCC[C@H]5[C@](C)(NC(=N)N(C)S5(=O)=O)c4c3)nccc2c1
Show InChI InChI=1S/C23H26N6O3S/c1-23-18-12-16(27-21-20-15(9-10-25-21)11-17(32-3)13-26-20)8-7-14(18)5-4-6-19(23)33(30,31)29(2)22(24)28-23/h7-13,19H,4-6H2,1-3H3,(H2,24,28)(H,25,27)/t19-,23+/m0/s1
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US Patent


Assay Description
A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay mo...


US Patent US10238743 (2019)


BindingDB Entry DOI: 10.7270/Q2JQ13BX
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM370632
PNG
(US10238743, Example 8)
Show SMILES CN1C(=N)N[C@@]2(C)[C@@H](CCOc3ccc(NC(=O)c4ncc(F)cc4C)cc23)S1(=O)=O
Show InChI InChI=1S/C20H22FN5O4S/c1-11-8-12(21)10-23-17(11)18(27)24-13-4-5-15-14(9-13)20(2)16(6-7-30-15)31(28,29)26(3)19(22)25-20/h4-5,8-10,16H,6-7H2,1-3H3,(H2,22,25)(H,24,27)/t16-,20-/m1/s1
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US Patent


Assay Description
A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay mo...


US Patent US10238743 (2019)


BindingDB Entry DOI: 10.7270/Q2JQ13BX
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM370666
PNG
(US10238743, Example 41)
Show SMILES COc1cnc2c(Nc3ccc4OCC[C@H]5[C@](C)(NC(=N)N(C)S5(=O)=O)c4c3)nccc2n1
Show InChI InChI=1S/C21H23N7O4S/c1-21-13-10-12(25-19-18-14(6-8-23-19)26-17(31-3)11-24-18)4-5-15(13)32-9-7-16(21)33(29,30)28(2)20(22)27-21/h4-6,8,10-11,16H,7,9H2,1-3H3,(H2,22,27)(H,23,25)/t16-,21+/m0/s1
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135n/an/an/an/an/an/an/an/a



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US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10238743 (2019)


BindingDB Entry DOI: 10.7270/Q2JQ13BX
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM370654
PNG
(US10238743, Example 29)
Show SMILES CN1C(=N)N[C@@]2(C)[C@H](CCCc3ccc(NC(=O)c4ccc(OC(F)(F)F)cn4)cc23)S1(=O)=O
Show InChI InChI=1S/C21H22F3N5O4S/c1-20-15-10-13(27-18(30)16-9-8-14(11-26-16)33-21(22,23)24)7-6-12(15)4-3-5-17(20)34(31,32)29(2)19(25)28-20/h6-11,17H,3-5H2,1-2H3,(H2,25,28)(H,27,30)/t17-,20+/m0/s1
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144n/an/an/an/an/an/an/an/a



TBA

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10238743 (2019)


BindingDB Entry DOI: 10.7270/Q2JQ13BX
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM370668
PNG
(US10238743, Example 43)
Show SMILES COc1cnc2c(Nc3ccc4OCC[C@H]5[C@](C)(NC(=N)N(C)S5(=O)=O)c4c3)nccc2c1
Show InChI InChI=1S/C22H24N6O4S/c1-22-16-11-14(26-20-19-13(6-8-24-20)10-15(31-3)12-25-19)4-5-17(16)32-9-7-18(22)33(29,30)28(2)21(23)27-22/h4-6,8,10-12,18H,7,9H2,1-3H3,(H2,23,27)(H,24,26)/t18-,22+/m0/s1
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148n/an/an/an/an/an/an/an/a



TBA

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10238743 (2019)


BindingDB Entry DOI: 10.7270/Q2JQ13BX
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM370662
PNG
(US10238743, Example 37)
Show SMILES CN1C(=N)N[C@@]2(C)[C@@H](CCCc3ccc(NC(=O)c4ccc(F)cn4)cc23)S1(=O)=O
Show InChI InChI=1S/C20H22FN5O3S/c1-20-15-10-14(24-18(27)16-9-7-13(21)11-23-16)8-6-12(15)4-3-5-17(20)30(28,29)26(2)19(22)25-20/h6-11,17H,3-5H2,1-2H3,(H2,22,25)(H,24,27)/t17-,20-/m1/s1
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US Patent


Assay Description
A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay mo...


US Patent US10238743 (2019)


BindingDB Entry DOI: 10.7270/Q2JQ13BX
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM370630
PNG
(US10238743, Example 7)
Show SMILES CN1C(=N)N[C@@]2(C)[C@@H](CCOc3ccc(NC(=O)c4ccc(F)cn4)cc23)S1(=O)=O
Show InChI InChI=1S/C19H20FN5O4S/c1-19-13-9-12(23-17(26)14-5-3-11(20)10-22-14)4-6-15(13)29-8-7-16(19)30(27,28)25(2)18(21)24-19/h3-6,9-10,16H,7-8H2,1-2H3,(H2,21,24)(H,23,26)/t16-,19-/m1/s1
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159n/an/an/an/an/an/an/an/a



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US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10238743 (2019)


BindingDB Entry DOI: 10.7270/Q2JQ13BX
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM370648
PNG
(US10238743, Example 24)
Show SMILES CN1C(=N)N[C@@]2(C)[C@H](CCCc3ccc(NC(=O)c4cnc(C)cn4)cc23)S1(=O)=O
Show InChI InChI=1S/C20H24N6O3S/c1-12-10-23-16(11-22-12)18(27)24-14-8-7-13-5-4-6-17-20(2,15(13)9-14)25-19(21)26(3)30(17,28)29/h7-11,17H,4-6H2,1-3H3,(H2,21,25)(H,24,27)/t17-,20+/m0/s1
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US Patent


Assay Description
A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay mo...


US Patent US10238743 (2019)


BindingDB Entry DOI: 10.7270/Q2JQ13BX
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM370669
PNG
(US10238743, Example 44)
Show SMILES COc1cnc2c(Nc3ccc4CCC[C@H]5[C@](C)(NC(=N)N(C)S5(=O)=O)c4c3)nccc2n1
Show InChI InChI=1S/C22H25N7O3S/c1-22-15-11-14(26-20-19-16(9-10-24-20)27-18(32-3)12-25-19)8-7-13(15)5-4-6-17(22)33(30,31)29(2)21(23)28-22/h7-12,17H,4-6H2,1-3H3,(H2,23,28)(H,24,26)/t17-,22+/m0/s1
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173n/an/an/an/an/an/an/an/a



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US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10238743 (2019)


BindingDB Entry DOI: 10.7270/Q2JQ13BX
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM370671
PNG
(US10238743, Example 46)
Show SMILES COc1cnc2c(Nc3ccc4CCC[C@H]5[C@](C)(NC(=N)N(C)S5(=O)=O)c4c3)nccc2c1
Show InChI InChI=1S/C23H26N6O3S/c1-23-18-12-16(27-21-20-15(9-10-25-21)11-17(32-3)13-26-20)8-7-14(18)5-4-6-19(23)33(30,31)29(2)22(24)28-23/h7-13,19H,4-6H2,1-3H3,(H2,24,28)(H,25,27)/t19-,23+/m0/s1
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251n/an/an/an/an/an/an/an/a



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US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10238743 (2019)


BindingDB Entry DOI: 10.7270/Q2JQ13BX
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM370648
PNG
(US10238743, Example 24)
Show SMILES CN1C(=N)N[C@@]2(C)[C@H](CCCc3ccc(NC(=O)c4cnc(C)cn4)cc23)S1(=O)=O
Show InChI InChI=1S/C20H24N6O3S/c1-12-10-23-16(11-22-12)18(27)24-14-8-7-13-5-4-6-17-20(2,15(13)9-14)25-19(21)26(3)30(17,28)29/h7-11,17H,4-6H2,1-3H3,(H2,21,25)(H,24,27)/t17-,20+/m0/s1
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US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10238743 (2019)


BindingDB Entry DOI: 10.7270/Q2JQ13BX
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM370623
PNG
(US10238743, Example 3)
Show SMILES CN1C(=N)N[C@@]2(C)[C@@H](CCOc3ccc(NC(=O)c4nc(C)oc4C)cc23)S1(=O)=O
Show InChI InChI=1S/C19H23N5O5S/c1-10-16(21-11(2)29-10)17(25)22-12-5-6-14-13(9-12)19(3)15(7-8-28-14)30(26,27)24(4)18(20)23-19/h5-6,9,15H,7-8H2,1-4H3,(H2,20,23)(H,22,25)/t15-,19-/m1/s1
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US Patent


Assay Description
A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay mo...


US Patent US10238743 (2019)


BindingDB Entry DOI: 10.7270/Q2JQ13BX
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM370622
PNG
(US10238743, Example 2)
Show SMILES CN1C(=N)N[C@@]2(C)[C@@H](CCOc3ccc(NC(=O)c4ccccn4)cc23)S1(=O)=O
Show InChI InChI=1S/C19H21N5O4S/c1-19-13-11-12(22-17(25)14-5-3-4-9-21-14)6-7-15(13)28-10-8-16(19)29(26,27)24(2)18(20)23-19/h3-7,9,11,16H,8,10H2,1-2H3,(H2,20,23)(H,22,25)/t16-,19-/m1/s1
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279n/an/an/an/an/an/an/an/a



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US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10238743 (2019)


BindingDB Entry DOI: 10.7270/Q2JQ13BX
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM370627
PNG
(US10238743, Example 5)
Show SMILES CN1C(=N)N[C@@]2(C)[C@@H](CCOc3ccc(NC(=O)c4ccc(cn4)C#N)cc23)S1(=O)=O
Show InChI InChI=1S/C20H20N6O4S/c1-20-14-9-13(24-18(27)15-5-3-12(10-21)11-23-15)4-6-16(14)30-8-7-17(20)31(28,29)26(2)19(22)25-20/h3-6,9,11,17H,7-8H2,1-2H3,(H2,22,25)(H,24,27)/t17-,20-/m1/s1
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303n/an/an/an/an/an/an/an/a



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US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10238743 (2019)


BindingDB Entry DOI: 10.7270/Q2JQ13BX
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM370664
PNG
(US10238743, Example 39)
Show SMILES CN1C(=N)N[C@@]2(C)[C@@H](CCCc3ccc(NC(=O)c4ccc(cn4)C#N)cc23)S1(=O)=O
Show InChI InChI=1S/C21H22N6O3S/c1-21-16-10-15(25-19(28)17-9-6-13(11-22)12-24-17)8-7-14(16)4-3-5-18(21)31(29,30)27(2)20(23)26-21/h6-10,12,18H,3-5H2,1-2H3,(H2,23,26)(H,25,28)/t18-,21-/m1/s1
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Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10238743 (2019)


BindingDB Entry DOI: 10.7270/Q2JQ13BX
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM370672
PNG
(US10238743, Example 47)
Show SMILES CN1C(=N)N[C@@]2(C)[C@H](CCOc3ccc(NC4CCCC4)cc23)S1(=O)=O
Show InChI InChI=1S/C18H26N4O3S/c1-18-14-11-13(20-12-5-3-4-6-12)7-8-15(14)25-10-9-16(18)26(23,24)22(2)17(19)21-18/h7-8,11-12,16,20H,3-6,9-10H2,1-2H3,(H2,19,21)/t16-,18+/m0/s1
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Assay Description
A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay mo...


US Patent US10238743 (2019)


BindingDB Entry DOI: 10.7270/Q2JQ13BX
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM370623
PNG
(US10238743, Example 3)
Show SMILES CN1C(=N)N[C@@]2(C)[C@@H](CCOc3ccc(NC(=O)c4nc(C)oc4C)cc23)S1(=O)=O
Show InChI InChI=1S/C19H23N5O5S/c1-10-16(21-11(2)29-10)17(25)22-12-5-6-14-13(9-12)19(3)15(7-8-28-14)30(26,27)24(4)18(20)23-19/h5-6,9,15H,7-8H2,1-4H3,(H2,20,23)(H,22,25)/t15-,19-/m1/s1
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Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10238743 (2019)


BindingDB Entry DOI: 10.7270/Q2JQ13BX
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM370667
PNG
(US10238743, Example 42)
Show SMILES COc1cnc2c(Nc3ccc4OCC[C@H]5[C@](C)(NC(=N)N(C)S5(=O)=O)c4c3)ccnc2c1
Show InChI InChI=1S/C22H24N6O4S/c1-22-15-10-13(26-16-6-8-24-17-11-14(31-3)12-25-20(16)17)4-5-18(15)32-9-7-19(22)33(29,30)28(2)21(23)27-22/h4-6,8,10-12,19H,7,9H2,1-3H3,(H2,23,27)(H,24,26)/t19-,22+/m0/s1
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Assay Description
A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay mo...


US Patent US10238743 (2019)


BindingDB Entry DOI: 10.7270/Q2JQ13BX
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM370622
PNG
(US10238743, Example 2)
Show SMILES CN1C(=N)N[C@@]2(C)[C@@H](CCOc3ccc(NC(=O)c4ccccn4)cc23)S1(=O)=O
Show InChI InChI=1S/C19H21N5O4S/c1-19-13-11-12(22-17(25)14-5-3-4-9-21-14)6-7-15(13)28-10-8-16(19)29(26,27)24(2)18(20)23-19/h3-7,9,11,16H,8,10H2,1-2H3,(H2,20,23)(H,22,25)/t16-,19-/m1/s1
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Assay Description
A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay mo...


US Patent US10238743 (2019)


BindingDB Entry DOI: 10.7270/Q2JQ13BX
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM370670
PNG
(US10238743, Example 45)
Show SMILES COc1cnc2c(Nc3ccc4CCC[C@H]5[C@](C)(NC(=N)N(C)S5(=O)=O)c4c3)ccnc2n1
Show InChI InChI=1S/C22H25N7O3S/c1-22-15-11-14(26-16-9-10-24-20-19(16)25-12-18(27-20)32-3)8-7-13(15)5-4-6-17(22)33(30,31)29(2)21(23)28-22/h7-12,17H,4-6H2,1-3H3,(H2,23,28)(H,24,26,27)/t17-,22+/m0/s1
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Assay Description
A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay mo...


US Patent US10238743 (2019)


BindingDB Entry DOI: 10.7270/Q2JQ13BX
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM370633
PNG
(US10238743, Example 9)
Show SMILES COc1cnc(cn1)C(=O)Nc1ccc2OCC[C@@H]3[C@](C)(NC(=N)N(C)S3(=O)=O)c2c1
Show InChI InChI=1S/C19H22N6O5S/c1-19-12-8-11(23-17(26)13-9-22-16(29-3)10-21-13)4-5-14(12)30-7-6-15(19)31(27,28)25(2)18(20)24-19/h4-5,8-10,15H,6-7H2,1-3H3,(H2,20,24)(H,23,26)/t15-,19-/m1/s1
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Assay Description
A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay mo...


US Patent US10238743 (2019)


BindingDB Entry DOI: 10.7270/Q2JQ13BX
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM370672
PNG
(US10238743, Example 47)
Show SMILES CN1C(=N)N[C@@]2(C)[C@H](CCOc3ccc(NC4CCCC4)cc23)S1(=O)=O
Show InChI InChI=1S/C18H26N4O3S/c1-18-14-11-13(20-12-5-3-4-6-12)7-8-15(14)25-10-9-16(18)26(23,24)22(2)17(19)21-18/h7-8,11-12,16,20H,3-6,9-10H2,1-2H3,(H2,19,21)/t16-,18+/m0/s1
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Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10238743 (2019)


BindingDB Entry DOI: 10.7270/Q2JQ13BX
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM370663
PNG
(US10238743, Example 38)
Show SMILES CN1C(=N)N[C@@]2(C)[C@@H](CCCc3ccc(NC(=O)c4ccc(OC(F)F)cn4)cc23)S1(=O)=O
Show InChI InChI=1S/C21H23F2N5O4S/c1-21-15-10-13(26-18(29)16-9-8-14(11-25-16)32-19(22)23)7-6-12(15)4-3-5-17(21)33(30,31)28(2)20(24)27-21/h6-11,17,19H,3-5H2,1-2H3,(H2,24,27)(H,26,29)/t17-,21-/m1/s1
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Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10238743 (2019)


BindingDB Entry DOI: 10.7270/Q2JQ13BX
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM370673
PNG
(US10238743, Example 48)
Show SMILES CN1C(=N)N[C@@]2(C)[C@H](CCOc3ccc(NCC4CC4)cc23)S1(=O)=O
Show InChI InChI=1S/C17H24N4O3S/c1-17-13-9-12(19-10-11-3-4-11)5-6-14(13)24-8-7-15(17)25(22,23)21(2)16(18)20-17/h5-6,9,11,15,19H,3-4,7-8,10H2,1-2H3,(H2,18,20)/t15-,17+/m0/s1
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Assay Description
A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay mo...


US Patent US10238743 (2019)


BindingDB Entry DOI: 10.7270/Q2JQ13BX
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM370626
PNG
(US10238743, Example 4)
Show SMILES COCC(=O)Nc1ccc2OCC[C@@H]3[C@](C)(NC(=N)N(C)S3(=O)=O)c2c1
Show InChI InChI=1S/C16H22N4O5S/c1-16-11-8-10(18-14(21)9-24-3)4-5-12(11)25-7-6-13(16)26(22,23)20(2)15(17)19-16/h4-5,8,13H,6-7,9H2,1-3H3,(H2,17,19)(H,18,21)/t13-,16-/m1/s1
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Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10238743 (2019)


BindingDB Entry DOI: 10.7270/Q2JQ13BX
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM370674
PNG
(US10238743, Example 49)
Show SMILES CCCNc1ccc2OCC[C@H]3[C@](C)(NC(=N)N(C)S3(=O)=O)c2c1
Show InChI InChI=1S/C16H24N4O3S/c1-4-8-18-11-5-6-13-12(10-11)16(2)14(7-9-23-13)24(21,22)20(3)15(17)19-16/h5-6,10,14,18H,4,7-9H2,1-3H3,(H2,17,19)/t14-,16+/m0/s1
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Assay Description
A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay mo...


US Patent US10238743 (2019)


BindingDB Entry DOI: 10.7270/Q2JQ13BX
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM370628
PNG
(US10238743, Example 6)
Show SMILES CN1C(=N)N[C@@]2(C)[C@@H](CCOc3ccc(NC(=O)c4ccc(OCC#C)cn4)cc23)S1(=O)=O
Show InChI InChI=1S/C22H23N5O5S/c1-4-10-31-15-6-7-17(24-13-15)20(28)25-14-5-8-18-16(12-14)22(2)19(9-11-32-18)33(29,30)27(3)21(23)26-22/h1,5-8,12-13,19H,9-11H2,2-3H3,(H2,23,26)(H,25,28)/t19-,22-/m1/s1
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Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10238743 (2019)


BindingDB Entry DOI: 10.7270/Q2JQ13BX
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM370626
PNG
(US10238743, Example 4)
Show SMILES COCC(=O)Nc1ccc2OCC[C@@H]3[C@](C)(NC(=N)N(C)S3(=O)=O)c2c1
Show InChI InChI=1S/C16H22N4O5S/c1-16-11-8-10(18-14(21)9-24-3)4-5-12(11)25-7-6-13(16)26(22,23)20(2)15(17)19-16/h4-5,8,13H,6-7,9H2,1-3H3,(H2,17,19)(H,18,21)/t13-,16-/m1/s1
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Assay Description
A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay mo...


US Patent US10238743 (2019)


BindingDB Entry DOI: 10.7270/Q2JQ13BX
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM370665
PNG
(US10238743, Example 40)
Show SMILES CN1C(=N)N[C@@]2(C)[C@@H](CCCc3ccc(NC(=O)c4cnc(C)cn4)cc23)S1(=O)=O
Show InChI InChI=1S/C20H24N6O3S/c1-12-10-23-16(11-22-12)18(27)24-14-8-7-13-5-4-6-17-20(2,15(13)9-14)25-19(21)26(3)30(17,28)29/h7-11,17H,4-6H2,1-3H3,(H2,21,25)(H,24,27)/t17-,20-/m1/s1
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Assay Description
A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay mo...


US Patent US10238743 (2019)


BindingDB Entry DOI: 10.7270/Q2JQ13BX
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM370667
PNG
(US10238743, Example 42)
Show SMILES COc1cnc2c(Nc3ccc4OCC[C@H]5[C@](C)(NC(=N)N(C)S5(=O)=O)c4c3)ccnc2c1
Show InChI InChI=1S/C22H24N6O4S/c1-22-15-10-13(26-16-6-8-24-17-11-14(31-3)12-25-20(16)17)4-5-18(15)32-9-7-19(22)33(29,30)28(2)21(23)27-22/h4-6,8,10-12,19H,7,9H2,1-3H3,(H2,23,27)(H,24,26)/t19-,22+/m0/s1
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Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10238743 (2019)


BindingDB Entry DOI: 10.7270/Q2JQ13BX
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM370674
PNG
(US10238743, Example 49)
Show SMILES CCCNc1ccc2OCC[C@H]3[C@](C)(NC(=N)N(C)S3(=O)=O)c2c1
Show InChI InChI=1S/C16H24N4O3S/c1-4-8-18-11-5-6-13-12(10-11)16(2)14(7-9-23-13)24(21,22)20(3)15(17)19-16/h5-6,10,14,18H,4,7-9H2,1-3H3,(H2,17,19)/t14-,16+/m0/s1
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Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10238743 (2019)


BindingDB Entry DOI: 10.7270/Q2JQ13BX
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM370673
PNG
(US10238743, Example 48)
Show SMILES CN1C(=N)N[C@@]2(C)[C@H](CCOc3ccc(NCC4CC4)cc23)S1(=O)=O
Show InChI InChI=1S/C17H24N4O3S/c1-17-13-9-12(19-10-11-3-4-11)5-6-14(13)24-8-7-15(17)25(22,23)21(2)16(18)20-17/h5-6,9,11,15,19H,3-4,7-8,10H2,1-2H3,(H2,18,20)/t15-,17+/m0/s1
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Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10238743 (2019)


BindingDB Entry DOI: 10.7270/Q2JQ13BX
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM370670
PNG
(US10238743, Example 45)
Show SMILES COc1cnc2c(Nc3ccc4CCC[C@H]5[C@](C)(NC(=N)N(C)S5(=O)=O)c4c3)ccnc2n1
Show InChI InChI=1S/C22H25N7O3S/c1-22-15-11-14(26-16-9-10-24-20-19(16)25-12-18(27-20)32-3)8-7-13(15)5-4-6-17(22)33(30,31)29(2)21(23)28-22/h7-12,17H,4-6H2,1-3H3,(H2,23,28)(H,24,26,27)/t17-,22+/m0/s1
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Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10238743 (2019)


BindingDB Entry DOI: 10.7270/Q2JQ13BX
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM370665
PNG
(US10238743, Example 40)
Show SMILES CN1C(=N)N[C@@]2(C)[C@@H](CCCc3ccc(NC(=O)c4cnc(C)cn4)cc23)S1(=O)=O
Show InChI InChI=1S/C20H24N6O3S/c1-12-10-23-16(11-22-12)18(27)24-14-8-7-13-5-4-6-17-20(2,15(13)9-14)25-19(21)26(3)30(17,28)29/h7-11,17H,4-6H2,1-3H3,(H2,21,25)(H,24,27)/t17-,20-/m1/s1
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2.71E+3n/an/an/an/an/an/an/an/a



TBA

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10238743 (2019)


BindingDB Entry DOI: 10.7270/Q2JQ13BX
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM370633
PNG
(US10238743, Example 9)
Show SMILES COc1cnc(cn1)C(=O)Nc1ccc2OCC[C@@H]3[C@](C)(NC(=N)N(C)S3(=O)=O)c2c1
Show InChI InChI=1S/C19H22N6O5S/c1-19-12-8-11(23-17(26)13-9-22-16(29-3)10-21-13)4-5-14(12)30-7-6-15(19)31(27,28)25(2)18(20)24-19/h4-5,8-10,15H,6-7H2,1-3H3,(H2,20,24)(H,23,26)/t15-,19-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
5.61E+3n/an/an/an/an/an/an/an/a



TBA

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10238743 (2019)


BindingDB Entry DOI: 10.7270/Q2JQ13BX
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%