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Patent code US9453034

Compile Data Set for Download or QSAR
Found 72 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 2 (BACE2)


(Homo sapiens (Human))
BDBM249123
PNG
(US9453034, 42)
Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C2(CN(C2)c2ccc(cc2)[N+]([O-])=O)C(=N)N1
Show InChI InChI=1S/C26H25FN6O6S/c1-25(20-11-16(3-9-21(20)27)30-23(34)22-10-8-19(39-2)12-29-22)15-40(37,38)26(24(28)31-25)13-32(14-26)17-4-6-18(7-5-17)33(35)36/h3-12H,13-15H2,1-2H3,(H2,28,31)(H,30,34)/t25-/m0/s1
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UniChem
US Patent
0.320n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

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...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 2 (BACE2)


(Homo sapiens (Human))
BDBM249091
PNG
(US9453034, 5)
Show SMILES CN1CC2(C1)C(=N)N[C@@](C)(CS2(=O)=O)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F
Show InChI InChI=1S/C20H21ClFN5O3S/c1-19(11-31(29,30)20(18(23)26-19)9-27(2)10-20)14-7-13(4-5-15(14)22)25-17(28)16-6-3-12(21)8-24-16/h3-8H,9-11H2,1-2H3,(H2,23,26)(H,25,28)/t19-/m0/s1
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US Patent
0.400n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

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...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 2 (BACE2)


(Homo sapiens (Human))
BDBM249100
PNG
(US9453034, 12b)
Show SMILES CN1CC2(C1)C(=N)N[C@@](C)(CS2(=O)=O)c1cc(NC(=O)c2ncc(cc2C(F)F)C#N)ccc1F
Show InChI InChI=1S/C22H21F3N6O3S/c1-21(11-35(33,34)22(20(27)30-21)9-31(2)10-22)15-6-13(3-4-16(15)23)29-19(32)17-14(18(24)25)5-12(7-26)8-28-17/h3-6,8,18H,9-11H2,1-2H3,(H2,27,30)(H,29,32)/t21-/m0/s1
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US Patent
0.5n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

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...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 2 (BACE2)


(Homo sapiens (Human))
BDBM249121
PNG
(US9453034, 40)
Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C2(CN(Cc3ccccc3)C2)C(=N)N1
Show InChI InChI=1S/C27H28FN5O4S/c1-26(21-12-19(8-10-22(21)28)31-24(34)23-11-9-20(37-2)13-30-23)17-38(35,36)27(25(29)32-26)15-33(16-27)14-18-6-4-3-5-7-18/h3-13H,14-17H2,1-2H3,(H2,29,32)(H,31,34)/t26-/m0/s1
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US Patent
0.600n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

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...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 2 (BACE2)


(Homo sapiens (Human))
BDBM249099
PNG
(US9453034, 12a)
Show SMILES CN1CC2(C1)C(=N)N[C@@](C)(CS2(=O)=O)c1cc(NC(=O)c2ncc(cc2C2CC2)C#N)ccc1F
Show InChI InChI=1S/C24H25FN6O3S/c1-23(13-35(33,34)24(22(27)30-23)11-31(2)12-24)18-8-16(5-6-19(18)25)29-21(32)20-17(15-3-4-15)7-14(9-26)10-28-20/h5-8,10,15H,3-4,11-13H2,1-2H3,(H2,27,30)(H,29,32)/t23-/m0/s1
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0.800n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

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...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 2 (BACE2)


(Homo sapiens (Human))
BDBM249095
PNG
(US9453034, 9)
Show SMILES COc1cnc(C(=O)Nc2ccc(F)c(c2)[C@]2(C)CS(=O)(=O)C3(CN(C)C3)C(=N)N2)c(C)c1
Show InChI InChI=1S/C22H26FN5O4S/c1-13-7-15(32-4)9-25-18(13)19(29)26-14-5-6-17(23)16(8-14)21(2)12-33(30,31)22(20(24)27-21)10-28(3)11-22/h5-9H,10-12H2,1-4H3,(H2,24,27)(H,26,29)/t21-/m0/s1
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0.900n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

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...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 2 (BACE2)


(Homo sapiens (Human))
BDBM249097
PNG
(US9453034, 11)
Show SMILES CN1CC2(C1)C(=N)N[C@@](C)(CS2(=O)=O)c1cc(NC(=O)c2ncc(cc2C)C#N)ccc1F
Show InChI InChI=1S/C22H23FN6O3S/c1-13-6-14(8-24)9-26-18(13)19(30)27-15-4-5-17(23)16(7-15)21(2)12-33(31,32)22(20(25)28-21)10-29(3)11-22/h4-7,9H,10-12H2,1-3H3,(H2,25,28)(H,27,30)/t21-/m0/s1
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1n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

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...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 2 (BACE2)


(Homo sapiens (Human))
BDBM249118
PNG
(US9453034, 37)
Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C2(CN(C2)C(C)=O)C(=N)N1
Show InChI InChI=1S/C22H24FN5O5S/c1-13(29)28-10-22(11-28)20(24)27-21(2,12-34(22,31)32)16-8-14(4-6-17(16)23)26-19(30)18-7-5-15(33-3)9-25-18/h4-9H,10-12H2,1-3H3,(H2,24,27)(H,26,30)/t21-/m0/s1
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1.10n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

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...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 2 (BACE2)


(Homo sapiens (Human))
BDBM249088
PNG
(US9453034, 2)
Show SMILES CN1CC2(C1)C(=N)N[C@@](C)(CS2(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F
Show InChI InChI=1S/C20H21F2N5O3S/c1-19(11-31(29,30)20(18(23)26-19)9-27(2)10-20)14-7-13(4-5-15(14)22)25-17(28)16-6-3-12(21)8-24-16/h3-8H,9-11H2,1-2H3,(H2,23,26)(H,25,28)/t19-/m0/s1
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US Patent
1.20n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

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...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM249097
PNG
(US9453034, 11)
Show SMILES CN1CC2(C1)C(=N)N[C@@](C)(CS2(=O)=O)c1cc(NC(=O)c2ncc(cc2C)C#N)ccc1F
Show InChI InChI=1S/C22H23FN6O3S/c1-13-6-14(8-24)9-26-18(13)19(30)27-15-4-5-17(23)16(7-15)21(2)12-33(31,32)22(20(25)28-21)10-29(3)11-22/h4-7,9H,10-12H2,1-3H3,(H2,25,28)(H,27,30)/t21-/m0/s1
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1.30n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

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...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM249099
PNG
(US9453034, 12a)
Show SMILES CN1CC2(C1)C(=N)N[C@@](C)(CS2(=O)=O)c1cc(NC(=O)c2ncc(cc2C2CC2)C#N)ccc1F
Show InChI InChI=1S/C24H25FN6O3S/c1-23(13-35(33,34)24(22(27)30-23)11-31(2)12-24)18-8-16(5-6-19(18)25)29-21(32)20-17(15-3-4-15)7-14(9-26)10-28-20/h5-8,10,15H,3-4,11-13H2,1-2H3,(H2,27,30)(H,29,32)/t23-/m0/s1
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1.30n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

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...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM249100
PNG
(US9453034, 12b)
Show SMILES CN1CC2(C1)C(=N)N[C@@](C)(CS2(=O)=O)c1cc(NC(=O)c2ncc(cc2C(F)F)C#N)ccc1F
Show InChI InChI=1S/C22H21F3N6O3S/c1-21(11-35(33,34)22(20(27)30-21)9-31(2)10-22)15-6-13(3-4-16(15)23)29-19(32)17-14(18(24)25)5-12(7-26)8-28-17/h3-6,8,18H,9-11H2,1-2H3,(H2,27,30)(H,29,32)/t21-/m0/s1
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1.40n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

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...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 2 (BACE2)


(Homo sapiens (Human))
BDBM249087
PNG
(US9453034, 1)
Show SMILES CN1CC2(C1)C(=N)N[C@@](C)(CS2(=O)=O)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F
Show InChI InChI=1S/C21H21FN6O3S/c1-20(12-32(30,31)21(19(24)27-20)10-28(2)11-21)15-7-14(4-5-16(15)22)26-18(29)17-6-3-13(8-23)9-25-17/h3-7,9H,10-12H2,1-2H3,(H2,24,27)(H,26,29)/t20-/m0/s1
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US Patent
1.40n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

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...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM249123
PNG
(US9453034, 42)
Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C2(CN(C2)c2ccc(cc2)[N+]([O-])=O)C(=N)N1
Show InChI InChI=1S/C26H25FN6O6S/c1-25(20-11-16(3-9-21(20)27)30-23(34)22-10-8-19(39-2)12-29-22)15-40(37,38)26(24(28)31-25)13-32(14-26)17-4-6-18(7-5-17)33(35)36/h3-12H,13-15H2,1-2H3,(H2,28,31)(H,30,34)/t25-/m0/s1
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1.40n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

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...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 2 (BACE2)


(Homo sapiens (Human))
BDBM249094
PNG
(US9453034, 8)
Show SMILES CN1CC2(C1)C(=N)N[C@@](C)(CS2(=O)=O)c1cc(NC(=O)c2ccc(OCF)cn2)ccc1F
Show InChI InChI=1S/C21H23F2N5O4S/c1-20(11-33(30,31)21(19(24)27-20)9-28(2)10-21)15-7-13(3-5-16(15)23)26-18(29)17-6-4-14(8-25-17)32-12-22/h3-8H,9-12H2,1-2H3,(H2,24,27)(H,26,29)/t20-/m0/s1
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US Patent
1.5n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

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...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM249118
PNG
(US9453034, 37)
Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C2(CN(C2)C(C)=O)C(=N)N1
Show InChI InChI=1S/C22H24FN5O5S/c1-13(29)28-10-22(11-28)20(24)27-21(2,12-34(22,31)32)16-8-14(4-6-17(16)23)26-19(30)18-7-5-15(33-3)9-25-18/h4-9H,10-12H2,1-3H3,(H2,24,27)(H,26,30)/t21-/m0/s1
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1.60n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

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...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 2 (BACE2)


(Homo sapiens (Human))
BDBM249089
PNG
(US9453034, 3)
Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C2(CN(C)C2)C(=N)N1
Show InChI InChI=1S/C21H24FN5O4S/c1-20(12-32(29,30)21(19(23)26-20)10-27(2)11-21)15-8-13(4-6-16(15)22)25-18(28)17-7-5-14(31-3)9-24-17/h4-9H,10-12H2,1-3H3,(H2,23,26)(H,25,28)/t20-/m0/s1
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1.60n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

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...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM249087
PNG
(US9453034, 1)
Show SMILES CN1CC2(C1)C(=N)N[C@@](C)(CS2(=O)=O)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F
Show InChI InChI=1S/C21H21FN6O3S/c1-20(12-32(30,31)21(19(24)27-20)10-28(2)11-21)15-7-14(4-5-16(15)22)26-18(29)17-6-3-13(8-23)9-25-17/h3-7,9H,10-12H2,1-2H3,(H2,24,27)(H,26,29)/t20-/m0/s1
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1.70n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

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...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 2 (BACE2)


(Homo sapiens (Human))
BDBM249120
PNG
(US9453034, 39)
Show SMILES CNC(=O)N1CC2(C1)C(=N)N[C@@](C)(CS2(=O)=O)c1cc(NC(=O)c2ccc(OC)cn2)ccc1F
Show InChI InChI=1S/C22H25FN6O5S/c1-21(12-35(32,33)22(19(24)28-21)10-29(11-22)20(31)25-2)15-8-13(4-6-16(15)23)27-18(30)17-7-5-14(34-3)9-26-17/h4-9H,10-12H2,1-3H3,(H2,24,28)(H,25,31)(H,27,30)/t21-/m0/s1
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US Patent
1.70n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

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...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 2 (BACE2)


(Homo sapiens (Human))
BDBM249117
PNG
(US9453034, 36e)
Show SMILES Cc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C2(CNC2)C(=N)N1)C#N
Show InChI InChI=1S/C21H21FN6O3S/c1-12-5-13(7-23)8-26-17(12)18(29)27-14-3-4-16(22)15(6-14)20(2)11-32(30,31)21(9-25-10-21)19(24)28-20/h3-6,8,25H,9-11H2,1-2H3,(H2,24,28)(H,27,29)/t20-/m0/s1
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1.80n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

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...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM249091
PNG
(US9453034, 5)
Show SMILES CN1CC2(C1)C(=N)N[C@@](C)(CS2(=O)=O)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F
Show InChI InChI=1S/C20H21ClFN5O3S/c1-19(11-31(29,30)20(18(23)26-19)9-27(2)10-20)14-7-13(4-5-15(14)22)25-17(28)16-6-3-12(21)8-24-16/h3-8H,9-11H2,1-2H3,(H2,23,26)(H,25,28)/t19-/m0/s1
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Merck Sharp & Dohme Corp.

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...


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


(Homo sapiens (Human))
BDBM249098
PNG
(US9453034, 12)
Show SMILES CC#CCOc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C2(CN(C)C2)C(=N)N1
Show InChI InChI=1S/C24H26FN5O4S/c1-4-5-10-34-17-7-9-20(27-12-17)21(31)28-16-6-8-19(25)18(11-16)23(2)15-35(32,33)24(22(26)29-23)13-30(3)14-24/h6-9,11-12H,10,13-15H2,1-3H3,(H2,26,29)(H,28,31)/t23-/m0/s1
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Merck Sharp & Dohme Corp.

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...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM249112
PNG
(US9453034, 36)
Show SMILES CC#CCOc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C2(CCN(C)CC2)C(=N)N1
Show InChI InChI=1S/C26H30FN5O4S/c1-4-5-14-36-19-7-9-22(29-16-19)23(33)30-18-6-8-21(27)20(15-18)25(2)17-37(34,35)26(24(28)31-25)10-12-32(3)13-11-26/h6-9,15-16H,10-14,17H2,1-3H3,(H2,28,31)(H,30,33)/t25-/m0/s1
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Merck Sharp & Dohme Corp.

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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...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 2 (BACE2)


(Homo sapiens (Human))
BDBM249119
PNG
(US9453034, 38)
Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C2(CN(C2)S(C)(=O)=O)C(=N)N1
Show InChI InChI=1S/C21H24FN5O6S2/c1-20(12-35(31,32)21(19(23)26-20)10-27(11-21)34(3,29)30)15-8-13(4-6-16(15)22)25-18(28)17-7-5-14(33-2)9-24-17/h4-9H,10-12H2,1-3H3,(H2,23,26)(H,25,28)/t20-/m0/s1
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Merck Sharp & Dohme Corp.

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...


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More data for this
Ligand-Target Pair
Beta-secretase 2 (BACE2)


(Homo sapiens (Human))
BDBM249115
PNG
(US9453034, 36c)
Show SMILES C[C@]1(CS(=O)(=O)C2(CNC2)C(=N)N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F
Show InChI InChI=1S/C20H19FN6O3S/c1-19(11-31(29,30)20(9-24-10-20)18(23)27-19)14-6-13(3-4-15(14)21)26-17(28)16-5-2-12(7-22)8-25-16/h2-6,8,24H,9-11H2,1H3,(H2,23,27)(H,26,28)/t19-/m0/s1
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2.60n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

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...


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


(Homo sapiens (Human))
BDBM249093
PNG
(US9453034, 7)
Show SMILES CN1CC2(C1)C(=N)N[C@@](C)(CS2(=O)=O)c1cc(NC(=O)c2ccc(OC(F)F)cn2)ccc1F
Show InChI InChI=1S/C21H22F3N5O4S/c1-20(11-34(31,32)21(18(25)28-20)9-29(2)10-21)14-7-12(3-5-15(14)22)27-17(30)16-6-4-13(8-26-16)33-19(23)24/h3-8,19H,9-11H2,1-2H3,(H2,25,28)(H,27,30)/t20-/m0/s1
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Merck Sharp & Dohme Corp.

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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...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 2 (BACE2)


(Homo sapiens (Human))
BDBM249105
PNG
(US9453034, 29)
Show SMILES CN1CCC2(CC1)C(=N)N[C@@](C)(CS2(=O)=O)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F
Show InChI InChI=1S/C22H25ClFN5O3S/c1-21(13-33(31,32)22(20(25)28-21)7-9-29(2)10-8-22)16-11-15(4-5-17(16)24)27-19(30)18-6-3-14(23)12-26-18/h3-6,11-12H,7-10,13H2,1-2H3,(H2,25,28)(H,27,30)/t21-/m0/s1
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Merck Sharp & Dohme Corp.

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...


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


(Homo sapiens (Human))
BDBM249092
PNG
(US9453034, 6)
Show SMILES CN1CC2(C1)C(=N)N[C@@](C)(CS2(=O)=O)c1cc(NC(=O)c2ccc(OC(F)(F)F)cn2)ccc1F
Show InChI InChI=1S/C21H21F4N5O4S/c1-19(11-35(32,33)20(18(26)29-19)9-30(2)10-20)14-7-12(3-5-15(14)22)28-17(31)16-6-4-13(8-27-16)34-21(23,24)25/h3-8H,9-11H2,1-2H3,(H2,26,29)(H,28,31)/t19-/m0/s1
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Merck Sharp & Dohme Corp.

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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...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM249115
PNG
(US9453034, 36c)
Show SMILES C[C@]1(CS(=O)(=O)C2(CNC2)C(=N)N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F
Show InChI InChI=1S/C20H19FN6O3S/c1-19(11-31(29,30)20(9-24-10-20)18(23)27-19)14-6-13(3-4-15(14)21)26-17(28)16-5-2-12(7-22)8-25-16/h2-6,8,24H,9-11H2,1H3,(H2,23,27)(H,26,28)/t19-/m0/s1
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Merck Sharp & Dohme Corp.

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...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM249117
PNG
(US9453034, 36e)
Show SMILES Cc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C2(CNC2)C(=N)N1)C#N
Show InChI InChI=1S/C21H21FN6O3S/c1-12-5-13(7-23)8-26-17(12)18(29)27-14-3-4-16(22)15(6-14)20(2)11-32(30,31)21(9-25-10-21)19(24)28-20/h3-6,8,25H,9-11H2,1-2H3,(H2,24,28)(H,27,29)/t20-/m0/s1
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Merck Sharp & Dohme Corp.

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...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 2 (BACE2)


(Homo sapiens (Human))
BDBM249093
PNG
(US9453034, 7)
Show SMILES CN1CC2(C1)C(=N)N[C@@](C)(CS2(=O)=O)c1cc(NC(=O)c2ccc(OC(F)F)cn2)ccc1F
Show InChI InChI=1S/C21H22F3N5O4S/c1-20(11-34(31,32)21(18(25)28-20)9-29(2)10-21)14-7-12(3-5-15(14)22)27-17(30)16-6-4-13(8-26-16)33-19(23)24/h3-8,19H,9-11H2,1-2H3,(H2,25,28)(H,27,30)/t20-/m0/s1
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Merck Sharp & Dohme Corp.

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...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM249094
PNG
(US9453034, 8)
Show SMILES CN1CC2(C1)C(=N)N[C@@](C)(CS2(=O)=O)c1cc(NC(=O)c2ccc(OCF)cn2)ccc1F
Show InChI InChI=1S/C21H23F2N5O4S/c1-20(11-33(30,31)21(19(24)27-20)9-28(2)10-21)15-7-13(3-5-16(15)23)26-18(29)17-6-4-14(8-25-17)32-12-22/h3-8H,9-12H2,1-2H3,(H2,24,27)(H,26,29)/t20-/m0/s1
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Merck Sharp & Dohme Corp.

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...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 2 (BACE2)


(Homo sapiens (Human))
BDBM249096
PNG
(US9453034, 10)
Show SMILES COc1cnc(C(=O)Nc2ccc(F)c(c2)[C@]2(C)CS(=O)(=O)C3(CN(C)C3)C(=N)N2)c(C)n1
Show InChI InChI=1S/C21H25FN6O4S/c1-12-17(24-8-16(25-12)32-4)18(29)26-13-5-6-15(22)14(7-13)20(2)11-33(30,31)21(19(23)27-20)9-28(3)10-21/h5-8H,9-11H2,1-4H3,(H2,23,27)(H,26,29)/t20-/m0/s1
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Merck Sharp & Dohme Corp.

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...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM249088
PNG
(US9453034, 2)
Show SMILES CN1CC2(C1)C(=N)N[C@@](C)(CS2(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F
Show InChI InChI=1S/C20H21F2N5O3S/c1-19(11-31(29,30)20(18(23)26-19)9-27(2)10-20)14-7-13(4-5-15(14)22)25-17(28)16-6-3-12(21)8-24-16/h3-8H,9-11H2,1-2H3,(H2,23,26)(H,25,28)/t19-/m0/s1
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Merck Sharp & Dohme Corp.

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...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 2 (BACE2)


(Homo sapiens (Human))
BDBM249090
PNG
(US9453034, 4)
Show SMILES COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C2(CN(C)C2)C(=N)N1
Show InChI InChI=1S/C20H23FN6O4S/c1-19(11-32(29,30)20(18(22)26-19)9-27(2)10-20)13-6-12(4-5-14(13)21)25-17(28)15-7-24-16(31-3)8-23-15/h4-8H,9-11H2,1-3H3,(H2,22,26)(H,25,28)/t19-/m0/s1
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Merck Sharp & Dohme Corp.

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...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM249095
PNG
(US9453034, 9)
Show SMILES COc1cnc(C(=O)Nc2ccc(F)c(c2)[C@]2(C)CS(=O)(=O)C3(CN(C)C3)C(=N)N2)c(C)c1
Show InChI InChI=1S/C22H26FN5O4S/c1-13-7-15(32-4)9-25-18(13)19(29)26-14-5-6-17(23)16(8-14)21(2)12-33(30,31)22(20(24)27-21)10-28(3)11-22/h5-9H,10-12H2,1-4H3,(H2,24,27)(H,26,29)/t21-/m0/s1
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Merck Sharp & Dohme Corp.

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...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM249089
PNG
(US9453034, 3)
Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C2(CN(C)C2)C(=N)N1
Show InChI InChI=1S/C21H24FN5O4S/c1-20(12-32(29,30)21(19(23)26-20)10-27(2)11-21)15-8-13(4-6-16(15)22)25-18(28)17-7-5-14(31-3)9-24-17/h4-9H,10-12H2,1-3H3,(H2,23,26)(H,25,28)/t20-/m0/s1
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Merck Sharp & Dohme Corp.

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...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 2 (BACE2)


(Homo sapiens (Human))
BDBM249102
PNG
(US9453034, 26)
Show SMILES CN1CCC2(CC1)C(=N)N[C@@](C)(CS2(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F
Show InChI InChI=1S/C22H25F2N5O3S/c1-21(13-33(31,32)22(20(25)28-21)7-9-29(2)10-8-22)16-11-15(4-5-17(16)24)27-19(30)18-6-3-14(23)12-26-18/h3-6,11-12H,7-10,13H2,1-2H3,(H2,25,28)(H,27,30)/t21-/m0/s1
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Merck Sharp & Dohme Corp.

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...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM249101
PNG
(US9453034, 25)
Show SMILES CN1CCC2(CC1)C(=N)N[C@@](C)(CS2(=O)=O)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F
Show InChI InChI=1S/C23H25FN6O3S/c1-22(14-34(32,33)23(21(26)29-22)7-9-30(2)10-8-23)17-11-16(4-5-18(17)24)28-20(31)19-6-3-15(12-25)13-27-19/h3-6,11,13H,7-10,14H2,1-2H3,(H2,26,29)(H,28,31)/t22-/m0/s1
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Merck Sharp & Dohme Corp.

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...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM249119
PNG
(US9453034, 38)
Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C2(CN(C2)S(C)(=O)=O)C(=N)N1
Show InChI InChI=1S/C21H24FN5O6S2/c1-20(12-35(31,32)21(19(23)26-20)10-27(11-21)34(3,29)30)15-8-13(4-6-16(15)22)25-18(28)17-7-5-14(33-2)9-24-17/h4-9H,10-12H2,1-3H3,(H2,23,26)(H,25,28)/t20-/m0/s1
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Merck Sharp & Dohme Corp.

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...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM249120
PNG
(US9453034, 39)
Show SMILES CNC(=O)N1CC2(C1)C(=N)N[C@@](C)(CS2(=O)=O)c1cc(NC(=O)c2ccc(OC)cn2)ccc1F
Show InChI InChI=1S/C22H25FN6O5S/c1-21(12-35(32,33)22(19(24)28-21)10-29(11-22)20(31)25-2)15-8-13(4-6-16(15)23)27-18(30)17-7-5-14(34-3)9-26-17/h4-9H,10-12H2,1-3H3,(H2,24,28)(H,25,31)(H,27,30)/t21-/m0/s1
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7.30n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

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...


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


(Homo sapiens (Human))
BDBM249121
PNG
(US9453034, 40)
Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C2(CN(Cc3ccccc3)C2)C(=N)N1
Show InChI InChI=1S/C27H28FN5O4S/c1-26(21-12-19(8-10-22(21)28)31-24(34)23-11-9-20(37-2)13-30-23)17-38(35,36)27(25(29)32-26)15-33(16-27)14-18-6-4-3-5-7-18/h3-13H,14-17H2,1-2H3,(H2,29,32)(H,31,34)/t26-/m0/s1
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7.70n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

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...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM249090
PNG
(US9453034, 4)
Show SMILES COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C2(CN(C)C2)C(=N)N1
Show InChI InChI=1S/C20H23FN6O4S/c1-19(11-32(29,30)20(18(22)26-19)9-27(2)10-20)13-6-12(4-5-14(13)21)25-17(28)15-7-24-16(31-3)8-23-15/h4-8H,9-11H2,1-3H3,(H2,22,26)(H,25,28)/t19-/m0/s1
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7.90n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

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...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 2 (BACE2)


(Homo sapiens (Human))
BDBM249101
PNG
(US9453034, 25)
Show SMILES CN1CCC2(CC1)C(=N)N[C@@](C)(CS2(=O)=O)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F
Show InChI InChI=1S/C23H25FN6O3S/c1-22(14-34(32,33)23(21(26)29-22)7-9-30(2)10-8-23)17-11-16(4-5-18(17)24)28-20(31)19-6-3-15(12-25)13-27-19/h3-6,11,13H,7-10,14H2,1-2H3,(H2,26,29)(H,28,31)/t22-/m0/s1
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8.40n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

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...


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More data for this
Ligand-Target Pair
Beta-secretase 2 (BACE2)


(Homo sapiens (Human))
BDBM249092
PNG
(US9453034, 6)
Show SMILES CN1CC2(C1)C(=N)N[C@@](C)(CS2(=O)=O)c1cc(NC(=O)c2ccc(OC(F)(F)F)cn2)ccc1F
Show InChI InChI=1S/C21H21F4N5O4S/c1-19(11-35(32,33)20(18(26)29-19)9-30(2)10-20)14-7-12(3-5-15(14)22)28-17(31)16-6-4-13(8-27-16)34-21(23,24)25/h3-8H,9-11H2,1-2H3,(H2,26,29)(H,28,31)/t19-/m0/s1
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10.3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

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...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM249096
PNG
(US9453034, 10)
Show SMILES COc1cnc(C(=O)Nc2ccc(F)c(c2)[C@]2(C)CS(=O)(=O)C3(CN(C)C3)C(=N)N2)c(C)n1
Show InChI InChI=1S/C21H25FN6O4S/c1-12-17(24-8-16(25-12)32-4)18(29)26-13-5-6-15(22)14(7-13)20(2)11-33(30,31)21(19(23)27-20)9-28(3)10-21/h5-8H,9-11H2,1-4H3,(H2,23,27)(H,26,29)/t20-/m0/s1
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10.4n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

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...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 2 (BACE2)


(Homo sapiens (Human))
BDBM249108
PNG
(US9453034, 32)
Show SMILES CN1CCC2(CC1)C(=N)N[C@@](C)(CS2(=O)=O)c1cc(NC(=O)c2ccc(OCF)cn2)ccc1F
Show InChI InChI=1S/C23H27F2N5O4S/c1-22(13-35(32,33)23(21(26)29-22)7-9-30(2)10-8-23)17-11-15(3-5-18(17)25)28-20(31)19-6-4-16(12-27-19)34-14-24/h3-6,11-12H,7-10,13-14H2,1-2H3,(H2,26,29)(H,28,31)/t22-/m0/s1
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11n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

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...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM249107
PNG
(US9453034, 31)
Show SMILES CN1CCC2(CC1)C(=N)N[C@@](C)(CS2(=O)=O)c1cc(NC(=O)c2ccc(OC(F)F)cn2)ccc1F
Show InChI InChI=1S/C23H26F3N5O4S/c1-22(13-36(33,34)23(20(27)30-22)7-9-31(2)10-8-23)16-11-14(3-5-17(16)24)29-19(32)18-6-4-15(12-28-18)35-21(25)26/h3-6,11-12,21H,7-10,13H2,1-2H3,(H2,27,30)(H,29,32)/t22-/m0/s1
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11n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

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...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM249105
PNG
(US9453034, 29)
Show SMILES CN1CCC2(CC1)C(=N)N[C@@](C)(CS2(=O)=O)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F
Show InChI InChI=1S/C22H25ClFN5O3S/c1-21(13-33(31,32)22(20(25)28-21)7-9-29(2)10-8-22)16-11-15(4-5-17(16)24)27-19(30)18-6-3-14(23)12-26-18/h3-6,11-12H,7-10,13H2,1-2H3,(H2,25,28)(H,27,30)/t21-/m0/s1
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12n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

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...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM249108
PNG
(US9453034, 32)
Show SMILES CN1CCC2(CC1)C(=N)N[C@@](C)(CS2(=O)=O)c1cc(NC(=O)c2ccc(OCF)cn2)ccc1F
Show InChI InChI=1S/C23H27F2N5O4S/c1-22(13-35(32,33)23(21(26)29-22)7-9-30(2)10-8-23)17-11-15(3-5-18(17)25)28-20(31)19-6-4-16(12-27-19)34-14-24/h3-6,11-12H,7-10,13-14H2,1-2H3,(H2,26,29)(H,28,31)/t22-/m0/s1
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14n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

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...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM249106
PNG
(US9453034, 30)
Show SMILES CN1CCC2(CC1)C(=N)N[C@@](C)(CS2(=O)=O)c1cc(NC(=O)c2ccc(OC(F)(F)F)cn2)ccc1F
Show InChI InChI=1S/C23H25F4N5O4S/c1-21(13-37(34,35)22(20(28)31-21)7-9-32(2)10-8-22)16-11-14(3-5-17(16)24)30-19(33)18-6-4-15(12-29-18)36-23(25,26)27/h3-6,11-12H,7-10,13H2,1-2H3,(H2,28,31)(H,30,33)/t21-/m0/s1
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15n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

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...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 2 (BACE2)


(Homo sapiens (Human))
BDBM249116
PNG
(US9453034, 36d)
Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C2(CNC2)C(=N)N1
Show InChI InChI=1S/C20H22FN5O4S/c1-19(11-31(28,29)20(9-23-10-20)18(22)26-19)14-7-12(3-5-15(14)21)25-17(27)16-6-4-13(30-2)8-24-16/h3-8,23H,9-11H2,1-2H3,(H2,22,26)(H,25,27)/t19-/m0/s1
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16n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

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...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM249104
PNG
(US9453034, 28)
Show SMILES COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C2(CCN(C)CC2)C(=N)N1
Show InChI InChI=1S/C22H27FN6O4S/c1-21(13-34(31,32)22(20(24)28-21)6-8-29(2)9-7-22)15-10-14(4-5-16(15)23)27-19(30)17-11-26-18(33-3)12-25-17/h4-5,10-12H,6-9,13H2,1-3H3,(H2,24,28)(H,27,30)/t21-/m0/s1
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19n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

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...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM249116
PNG
(US9453034, 36d)
Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C2(CNC2)C(=N)N1
Show InChI InChI=1S/C20H22FN5O4S/c1-19(11-31(28,29)20(9-23-10-20)18(22)26-19)14-7-12(3-5-15(14)21)25-17(27)16-6-4-13(30-2)8-24-16/h3-8,23H,9-11H2,1-2H3,(H2,22,26)(H,25,27)/t19-/m0/s1
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22n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

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...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 2 (BACE2)


(Homo sapiens (Human))
BDBM249110
PNG
(US9453034, 34)
Show SMILES COc1cnc(C(=O)Nc2ccc(F)c(c2)[C@]2(C)CS(=O)(=O)C3(CCN(C)CO3)C(=N)N2)c(C)n1
Show InChI InChI=1S/C22H27FN6O5S/c1-13-18(25-10-17(26-13)33-4)19(30)27-14-5-6-16(23)15(9-14)21(2)11-35(31,32)22(20(24)28-21)7-8-29(3)12-34-22/h5-6,9-10H,7-8,11-12H2,1-4H3,(H2,24,28)(H,27,30)/t21-,22?/m0/s1
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23n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

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...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 2 (BACE2)


(Homo sapiens (Human))
BDBM249109
PNG
(US9453034, 33)
Show SMILES COc1cnc(C(=O)Nc2ccc(F)c(c2)[C@]2(C)CS(=O)(=O)C3(CCN(C)CC3)C(=N)N2)c(C)c1
Show InChI InChI=1S/C24H30FN5O4S/c1-15-11-17(34-4)13-27-20(15)21(31)28-16-5-6-19(25)18(12-16)23(2)14-35(32,33)24(22(26)29-23)7-9-30(3)10-8-24/h5-6,11-13H,7-10,14H2,1-4H3,(H2,26,29)(H,28,31)/t23-/m0/s1
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23n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

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...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 2 (BACE2)


(Homo sapiens (Human))
BDBM249111
PNG
(US9453034, 35)
Show SMILES CN1CCC2(CC1)C(=N)N[C@@](C)(CS2(=O)=O)c1cc(NC(=O)c2ncc(cc2C)C#N)ccc1F
Show InChI InChI=1S/C24H27FN6O3S/c1-15-10-16(12-26)13-28-20(15)21(32)29-17-4-5-19(25)18(11-17)23(2)14-35(33,34)24(22(27)30-23)6-8-31(3)9-7-24/h4-5,10-11,13H,6-9,14H2,1-3H3,(H2,27,30)(H,29,32)/t23-/m0/s1
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24n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

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...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 2 (BACE2)


(Homo sapiens (Human))
BDBM249103
PNG
(US9453034, 27)
Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C2(CCN(C)CC2)C(=N)N1
Show InChI InChI=1S/C23H28FN5O4S/c1-22(14-34(31,32)23(21(25)28-22)8-10-29(2)11-9-23)17-12-15(4-6-18(17)24)27-20(30)19-7-5-16(33-3)13-26-19/h4-7,12-13H,8-11,14H2,1-3H3,(H2,25,28)(H,27,30)/t22-/m0/s1
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24n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

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...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 2 (BACE2)


(Homo sapiens (Human))
BDBM249107
PNG
(US9453034, 31)
Show SMILES CN1CCC2(CC1)C(=N)N[C@@](C)(CS2(=O)=O)c1cc(NC(=O)c2ccc(OC(F)F)cn2)ccc1F
Show InChI InChI=1S/C23H26F3N5O4S/c1-22(13-36(33,34)23(20(27)30-22)7-9-31(2)10-8-23)16-11-14(3-5-17(16)24)29-19(32)18-6-4-15(12-28-18)35-21(25)26/h3-6,11-12,21H,7-10,13H2,1-2H3,(H2,27,30)(H,29,32)/t22-/m0/s1
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27n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

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...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 2 (BACE2)


(Homo sapiens (Human))
BDBM249104
PNG
(US9453034, 28)
Show SMILES COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C2(CCN(C)CC2)C(=N)N1
Show InChI InChI=1S/C22H27FN6O4S/c1-21(13-34(31,32)22(20(24)28-21)6-8-29(2)9-7-22)15-10-14(4-5-16(15)23)27-19(30)17-11-26-18(33-3)12-25-17/h4-5,10-12H,6-9,13H2,1-3H3,(H2,24,28)(H,27,30)/t21-/m0/s1
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29n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

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...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 2 (BACE2)


(Homo sapiens (Human))
BDBM249098
PNG
(US9453034, 12)
Show SMILES CC#CCOc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C2(CN(C)C2)C(=N)N1
Show InChI InChI=1S/C24H26FN5O4S/c1-4-5-10-34-17-7-9-20(27-12-17)21(31)28-16-6-8-19(25)18(11-16)23(2)15-35(32,33)24(22(26)29-23)13-30(3)14-24/h6-9,11-12H,10,13-15H2,1-3H3,(H2,26,29)(H,28,31)/t23-/m0/s1
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30n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

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...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 2 (BACE2)


(Homo sapiens (Human))
BDBM249112
PNG
(US9453034, 36)
Show SMILES CC#CCOc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C2(CCN(C)CC2)C(=N)N1
Show InChI InChI=1S/C26H30FN5O4S/c1-4-5-14-36-19-7-9-22(29-16-19)23(33)30-18-6-8-21(27)20(15-18)25(2)17-37(34,35)26(24(28)31-25)10-12-32(3)13-11-26/h6-9,15-16H,10-14,17H2,1-3H3,(H2,28,31)(H,30,33)/t25-/m0/s1
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30n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

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...


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


(Homo sapiens (Human))
BDBM249111
PNG
(US9453034, 35)
Show SMILES CN1CCC2(CC1)C(=N)N[C@@](C)(CS2(=O)=O)c1cc(NC(=O)c2ncc(cc2C)C#N)ccc1F
Show InChI InChI=1S/C24H27FN6O3S/c1-15-10-16(12-26)13-28-20(15)21(32)29-17-4-5-19(25)18(11-17)23(2)14-35(33,34)24(22(27)30-23)6-8-31(3)9-7-24/h4-5,10-11,13H,6-9,14H2,1-3H3,(H2,27,30)(H,29,32)/t23-/m0/s1
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35n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

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...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM249103
PNG
(US9453034, 27)
Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C2(CCN(C)CC2)C(=N)N1
Show InChI InChI=1S/C23H28FN5O4S/c1-22(14-34(31,32)23(21(25)28-22)8-10-29(2)11-9-23)17-12-15(4-6-18(17)24)27-20(30)19-7-5-16(33-3)13-26-19/h4-7,12-13H,8-11,14H2,1-3H3,(H2,25,28)(H,27,30)/t22-/m0/s1
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35n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

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...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM249109
PNG
(US9453034, 33)
Show SMILES COc1cnc(C(=O)Nc2ccc(F)c(c2)[C@]2(C)CS(=O)(=O)C3(CCN(C)CC3)C(=N)N2)c(C)c1
Show InChI InChI=1S/C24H30FN5O4S/c1-15-11-17(34-4)13-27-20(15)21(31)28-16-5-6-19(25)18(12-16)23(2)14-35(32,33)24(22(26)29-23)7-9-30(3)10-8-24/h5-6,11-13H,7-10,14H2,1-4H3,(H2,26,29)(H,28,31)/t23-/m0/s1
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37n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

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...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM249110
PNG
(US9453034, 34)
Show SMILES COc1cnc(C(=O)Nc2ccc(F)c(c2)[C@]2(C)CS(=O)(=O)C3(CCN(C)CO3)C(=N)N2)c(C)n1
Show InChI InChI=1S/C22H27FN6O5S/c1-13-18(25-10-17(26-13)33-4)19(30)27-14-5-6-16(23)15(9-14)21(2)11-35(31,32)22(20(24)28-21)7-8-29(3)12-34-22/h5-6,9-10H,7-8,11-12H2,1-4H3,(H2,24,28)(H,27,30)/t21-,22?/m0/s1
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37n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

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...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM249102
PNG
(US9453034, 26)
Show SMILES CN1CCC2(CC1)C(=N)N[C@@](C)(CS2(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F
Show InChI InChI=1S/C22H25F2N5O3S/c1-21(13-33(31,32)22(20(25)28-21)7-9-29(2)10-8-22)16-11-15(4-5-17(16)24)27-19(30)18-6-3-14(23)12-26-18/h3-6,11-12H,7-10,13H2,1-2H3,(H2,25,28)(H,27,30)/t21-/m0/s1
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37n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

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...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 2 (BACE2)


(Homo sapiens (Human))
BDBM249106
PNG
(US9453034, 30)
Show SMILES CN1CCC2(CC1)C(=N)N[C@@](C)(CS2(=O)=O)c1cc(NC(=O)c2ccc(OC(F)(F)F)cn2)ccc1F
Show InChI InChI=1S/C23H25F4N5O4S/c1-21(13-37(34,35)22(20(28)31-21)7-9-32(2)10-8-22)16-11-14(3-5-17(16)24)30-19(33)18-6-4-15(12-29-18)36-23(25,26)27/h3-6,11-12H,7-10,13H2,1-2H3,(H2,28,31)(H,30,33)/t21-/m0/s1
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52n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

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...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 2 (BACE2)


(Homo sapiens (Human))
BDBM249114
PNG
(US9453034, 36b)
Show SMILES COCC(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C2(CCN(C)CC2)C(=N)N1
Show InChI InChI=1S/C19H27FN4O4S/c1-18(14-10-13(4-5-15(14)20)22-16(25)11-28-3)12-29(26,27)19(17(21)23-18)6-8-24(2)9-7-19/h4-5,10H,6-9,11-12H2,1-3H3,(H2,21,23)(H,22,25)/t18-/m0/s1
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56n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

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...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 2 (BACE2)


(Homo sapiens (Human))
BDBM249113
PNG
(US9453034, 36a)
Show SMILES CN1CCC2(CC1)C(=N)N[C@@](C)(CS2(=O)=O)c1cc(NC(=O)C(F)F)ccc1F
Show InChI InChI=1S/C18H23F3N4O3S/c1-17(12-9-11(3-4-13(12)19)23-15(26)14(20)21)10-29(27,28)18(16(22)24-17)5-7-25(2)8-6-18/h3-4,9,14H,5-8,10H2,1-2H3,(H2,22,24)(H,23,26)/t17-/m0/s1
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210n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

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...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM249114
PNG
(US9453034, 36b)
Show SMILES COCC(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C2(CCN(C)CC2)C(=N)N1
Show InChI InChI=1S/C19H27FN4O4S/c1-18(14-10-13(4-5-15(14)20)22-16(25)11-28-3)12-29(26,27)19(17(21)23-18)6-8-24(2)9-7-19/h4-5,10H,6-9,11-12H2,1-3H3,(H2,21,23)(H,22,25)/t18-/m0/s1
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548n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

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...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM249113
PNG
(US9453034, 36a)
Show SMILES CN1CCC2(CC1)C(=N)N[C@@](C)(CS2(=O)=O)c1cc(NC(=O)C(F)F)ccc1F
Show InChI InChI=1S/C18H23F3N4O3S/c1-17(12-9-11(3-4-13(12)19)23-15(26)14(20)21)10-29(27,28)18(16(22)24-17)5-7-25(2)8-6-18/h3-4,9,14H,5-8,10H2,1-2H3,(H2,22,24)(H,23,26)/t17-/m0/s1
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1.71E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

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...


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