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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=1/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+/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
UniChem
US Patent
1n/an/an/an/an/an/an/an/a



TBA

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)

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=1/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+/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
UniChem
US Patent
2n/an/an/an/an/an/an/an/a



TBA

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)

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=1/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+/s2
PDB

UniProtKB/SwissProt

GoogleScholar
UniChem
US Patent
2n/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)

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=1/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+/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
UniChem
US Patent
4n/an/an/an/an/an/an/an/a



TBA

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)

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=1/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+/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
UniChem
US Patent
4n/an/an/an/an/an/an/an/a



TBA

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)

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=1/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+/s2
PDB

UniProtKB/SwissProt

GoogleScholar
UniChem
US Patent
4n/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)

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=1/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+/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
UniChem
US Patent
5n/an/an/an/an/an/an/an/a



TBA

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)

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=1/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+/s2
PDB

UniProtKB/SwissProt

GoogleScholar
UniChem
US Patent
5n/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)

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=1/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+/s2
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UniProtKB/SwissProt

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US Patent
5n/an/an/an/an/an/an/an/a



TBA

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)

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=1/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+/s2
PDB

UniProtKB/SwissProt

GoogleScholar
UniChem
US Patent
6n/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)

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=1/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+/s2
PDB

UniProtKB/SwissProt

GoogleScholar
UniChem
US Patent
6n/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)

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=1/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+/s2
PDB

UniProtKB/SwissProt

GoogleScholar
UniChem
US Patent
7n/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)

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=1/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+/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
UniChem
US Patent
7n/an/an/an/an/an/an/an/a



TBA

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)

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=1/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+/s2
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
GoogleScholar
UniChem
US Patent
7n/an/an/an/an/an/an/an/a



TBA

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)

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=1/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+/s2
PDB

UniProtKB/SwissProt

GoogleScholar
UniChem
US Patent
7n/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)

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=1/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+/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
UniChem
US Patent
8n/an/an/an/an/an/an/an/a



TBA

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)

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=1/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+/s2
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
GoogleScholar
UniChem
US Patent
10n/an/an/an/an/an/an/an/a



TBA

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)

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=1/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+/s2
PDB

UniProtKB/SwissProt

GoogleScholar
UniChem
US Patent
10n/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)

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=1/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+/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
UniChem
US Patent
10n/an/an/an/an/an/an/an/a



TBA

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)

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=1/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+/s2
PDB

UniProtKB/SwissProt

GoogleScholar
UniChem
US Patent
10n/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)

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=1/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+/s2
PDB

UniProtKB/SwissProt

GoogleScholar
UniChem
US Patent
10n/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)

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=1/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+/s2
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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)

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=1/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+/s2
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10n/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)

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=1/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+/s2
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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)

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=1/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+/s2
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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)

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=1/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+/s2
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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)

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=1/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+/s2
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14n/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)

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=1/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+/s2
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15n/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)

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=1/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+/s2
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16n/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)

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=1/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+/s2
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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)

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=1/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+/s2
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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)

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=1/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+/s2
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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)

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=1/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+/s2
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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)

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=1/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+/s2
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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)

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=1/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+/s2
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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)

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=1/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+/s2
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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)

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=1/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+/s2
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25n/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)

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=1/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-/s2
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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)

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=1/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+/s2
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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)

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=1/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+/s2
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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)

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=1/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+/s2
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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)

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=1/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+/s2
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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)

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=1/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+/s2
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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)

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=1/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+/s2
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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)

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=1/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+/s2
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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)

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=1/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-/s2
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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)

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=1/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+/s2
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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)

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=1/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+/s2
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52n/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)

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=1/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+/s2
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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)

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=1/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+/s2
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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)

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=1/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+/s2
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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)

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=1/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-/s2
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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)

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=1/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-/s2
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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)

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=1/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-/s2
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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)

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=1/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+/s2
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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)

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=1/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-/s2
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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)

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=1/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+/s2
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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)

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=1/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+/s2
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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)

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=1/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-/s2
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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)

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=1/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+/s2
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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)

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=1/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-/s2
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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)

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=1/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+/s2
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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)

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=1/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-/s2
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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)

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=1/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+/s2
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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)

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=1/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-/s2
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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)

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=1/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+/s2
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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)

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=1/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+/s2
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US Patent
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)

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=1/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+/s2
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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)

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=1/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-/s2
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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)

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=1/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-/s2
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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)

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=1/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+/s2
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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)

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=1/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+/s2
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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)

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=1/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+/s2
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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)

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=1/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+/s2
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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)

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=1/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-/s2
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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)

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=1/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-/s2
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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)

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=1/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-/s2
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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)

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=1/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-/s2
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315n/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)

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=1/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+/s2
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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)

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=1/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-/s2
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384n/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)

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=1/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+/s2
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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)

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=1/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-/s2
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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)

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=1/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+/s2
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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)

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=1/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-/s2
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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)

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=1/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+/s2
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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)

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=1/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-/s2
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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)

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=1/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+/s2
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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)

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=1/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-/s2
PDB

UniProtKB/SwissProt

GoogleScholar
UniChem
US Patent
890n/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)

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=1/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+/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
UniChem
US Patent
918n/an/an/an/an/an/an/an/a



TBA

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)

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=1/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-/s2
PDB

UniProtKB/SwissProt

GoogleScholar
UniChem
US Patent
995n/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)

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=1/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-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
UniChem
US Patent
1.36E+3n/an/an/an/an/an/an/an/a



TBA

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)

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=1/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-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
UniChem
US Patent
1.39E+3n/an/an/an/an/an/an/an/a



TBA

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)

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=1/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+/s2
PDB

UniProtKB/SwissProt

GoogleScholar
UniChem
US Patent
1.79E+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)

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=1/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+/s2
PDB

UniProtKB/SwissProt

GoogleScholar
UniChem
US Patent
1.98E+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)

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=1/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+/s2
PDB

UniProtKB/SwissProt

GoogleScholar
UniChem
US Patent
2.01E+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)

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=1/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+/s2
PDB

UniProtKB/SwissProt

GoogleScholar
UniChem
US Patent
2.44E+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)

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=1/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-/s2
PDB

UniProtKB/SwissProt

GoogleScholar
UniChem
US Patent
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)

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=1/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-/s2
PDB

UniProtKB/SwissProt

GoogleScholar
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)

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