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Patent code US9745324

Compile Data Set for Download or QSAR
Found 83 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))
BDBM337570
PNG
(US9745324, 39)
Show SMILES CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(=O)c2cnc(OCC#C)cn2)ccc1F
Show InChI InChI=1S/C22H25FN6O4S/c1-6-9-33-18-12-25-17(11-26-18)19(30)27-14-7-8-16(23)15(10-14)22(4)13-29(5)34(31,32)21(2,3)20(24)28-22/h1,7-8,10-12H,9,13H2,2-5H3,(H2,24,28)(H,27,30)/t22-/m0/s1
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US Patent
2.30n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Reagents: Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE1 catalytic domain (>95% pure); APP Swed...


US Patent US9745324 (2017)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM337533
PNG
(US9745324, 2)
Show SMILES CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(=O)c2ccn(n2)C(F)F)ccc1F
Show InChI InChI=1S/C19H23F3N6O3S/c1-18(2)16(23)25-19(3,10-27(4)32(18,30)31)12-9-11(5-6-13(12)20)24-15(29)14-7-8-28(26-14)17(21)22/h5-9,17H,10H2,1-4H3,(H2,23,25)(H,24,29)/t19-/m0/s1
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US Patent
6n/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...


US Patent US9745324 (2017)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM337554
PNG
(US9745324, 23)
Show SMILES CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(=O)c2ncc(Cl)cc2F)ccc1F
Show InChI InChI=1S/C20H22ClF2N5O3S/c1-19(2)18(24)27-20(3,10-28(4)32(19,30)31)13-8-12(5-6-14(13)22)26-17(29)16-15(23)7-11(21)9-25-16/h5-9H,10H2,1-4H3,(H2,24,27)(H,26,29)/t20-/m0/s1
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US Patent
6.40n/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...


US Patent US9745324 (2017)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM337538
PNG
(US9745324, 7)
Show SMILES CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F
Show InChI InChI=1S/C20H23ClFN5O3S/c1-19(2)18(23)26-20(3,11-27(4)31(19,29)30)14-9-13(6-7-15(14)22)25-17(28)16-8-5-12(21)10-24-16/h5-10H,11H2,1-4H3,(H2,23,26)(H,25,28)/t20-/m0/s1
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8n/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...


US Patent US9745324 (2017)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM337534
PNG
(US9745324, 3)
Show SMILES CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F
Show InChI InChI=1S/C20H23F2N5O3S/c1-19(2)18(23)26-20(3,11-27(4)31(19,29)30)14-9-13(6-7-15(14)22)25-17(28)16-8-5-12(21)10-24-16/h5-10H,11H2,1-4H3,(H2,23,26)(H,25,28)/t20-/m0/s1
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US Patent
13n/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...


US Patent US9745324 (2017)

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


(Homo sapiens (Human))
BDBM337567
PNG
(US9745324, 36)
Show SMILES CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(=O)c2ccc(OCC#C)cn2)ccc1F
Show InChI InChI=1S/C23H26FN5O4S/c1-6-11-33-16-8-10-19(26-13-16)20(30)27-15-7-9-18(24)17(12-15)23(4)14-29(5)34(31,32)22(2,3)21(25)28-23/h1,7-10,12-13H,11,14H2,2-5H3,(H2,25,28)(H,27,30)/t23-/m0/s1
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15n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Reagents: Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE1 catalytic domain (>95% pure); APP Swed...


US Patent US9745324 (2017)

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


(Homo sapiens (Human))
BDBM337543
PNG
(US9745324, 12)
Show SMILES CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(=O)c2cnc(OCC(F)(F)F)cn2)ccc1F
Show InChI InChI=1S/C21H24F4N6O4S/c1-19(2)18(26)30-20(3,10-31(4)36(19,33)34)13-7-12(5-6-14(13)22)29-17(32)15-8-28-16(9-27-15)35-11-21(23,24)25/h5-9H,10-11H2,1-4H3,(H2,26,30)(H,29,32)/t20-/m0/s1
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17n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Reagents: Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE1 catalytic domain (>95% pure); APP Swed...


US Patent US9745324 (2017)

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


(Homo sapiens (Human))
BDBM337573
PNG
(US9745324, 42)
Show SMILES CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(Nc2nccc3cc(Br)cnc23)ccc1F
Show InChI InChI=1S/C22H24BrFN6O2S/c1-21(2)20(25)29-22(3,12-30(4)33(21,31)32)16-10-15(5-6-17(16)24)28-19-18-13(7-8-26-19)9-14(23)11-27-18/h5-11H,12H2,1-4H3,(H2,25,29)(H,26,28)/t22-/m0/s1
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18n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Reagents: Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE1 catalytic domain (>95% pure); APP Swed...


US Patent US9745324 (2017)

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


(Homo sapiens (Human))
BDBM337572
PNG
(US9745324, 41)
Show SMILES CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(Nc2nccc3cc(cnc23)C#N)ccc1F
Show InChI InChI=1S/C23H24FN7O2S/c1-22(2)21(26)30-23(3,13-31(4)34(22,32)33)17-10-16(5-6-18(17)24)29-20-19-15(7-8-27-20)9-14(11-25)12-28-19/h5-10,12H,13H2,1-4H3,(H2,26,30)(H,27,29)/t23-/m0/s1
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20n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Reagents: Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE1 catalytic domain (>95% pure); APP Swed...


US Patent US9745324 (2017)

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


(Homo sapiens (Human))
BDBM337554
PNG
(US9745324, 23)
Show SMILES CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(=O)c2ncc(Cl)cc2F)ccc1F
Show InChI InChI=1S/C20H22ClF2N5O3S/c1-19(2)18(24)27-20(3,10-28(4)32(19,30)31)13-8-12(5-6-14(13)22)26-17(29)16-15(23)7-11(21)9-25-16/h5-9H,10H2,1-4H3,(H2,24,27)(H,26,29)/t20-/m0/s1
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21n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Reagents: Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE1 catalytic domain (>95% pure); APP Swed...


US Patent US9745324 (2017)

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


(Homo sapiens (Human))
BDBM337539
PNG
(US9745324, 8)
Show SMILES CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F
Show InChI InChI=1S/C21H23FN6O3S/c1-20(2)19(24)27-21(3,12-28(4)32(20,30)31)15-9-14(6-7-16(15)22)26-18(29)17-8-5-13(10-23)11-25-17/h5-9,11H,12H2,1-4H3,(H2,24,27)(H,26,29)/t21-/m0/s1
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22n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Reagents: Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE1 catalytic domain (>95% pure); APP Swed...


US Patent US9745324 (2017)

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


(Homo sapiens (Human))
BDBM337542
PNG
(US9745324, 11)
Show SMILES CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(=O)c2ncc(cc2C)C#N)ccc1F
Show InChI InChI=1S/C22H25FN6O3S/c1-13-8-14(10-24)11-26-18(13)19(30)27-15-6-7-17(23)16(9-15)22(4)12-29(5)33(31,32)21(2,3)20(25)28-22/h6-9,11H,12H2,1-5H3,(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
Reagents: Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE1 catalytic domain (>95% pure); APP Swed...


US Patent US9745324 (2017)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM337547
PNG
(US9745324, 16)
Show SMILES CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(=O)c2cnsn2)ccc1F
Show InChI InChI=1S/C17H21FN6O3S2/c1-16(2)15(19)22-17(3,9-24(4)29(16,26)27)11-7-10(5-6-12(11)18)21-14(25)13-8-20-28-23-13/h5-8H,9H2,1-4H3,(H2,19,22)(H,21,25)/t17-/m0/s1
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25n/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...


US Patent US9745324 (2017)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM337546
PNG
(US9745324, 15)
Show SMILES CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(=O)c2noc(C)n2)ccc1F
Show InChI InChI=1S/C18H23FN6O4S/c1-10-21-14(24-29-10)15(26)22-11-6-7-13(19)12(8-11)18(4)9-25(5)30(27,28)17(2,3)16(20)23-18/h6-8H,9H2,1-5H3,(H2,20,23)(H,22,26)/t18-/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...


US Patent US9745324 (2017)

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


(Homo sapiens (Human))
BDBM337538
PNG
(US9745324, 7)
Show SMILES CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F
Show InChI InChI=1S/C20H23ClFN5O3S/c1-19(2)18(23)26-20(3,11-27(4)31(19,29)30)14-9-13(6-7-15(14)22)25-17(28)16-8-5-12(21)10-24-16/h5-10H,11H2,1-4H3,(H2,23,26)(H,25,28)/t20-/m0/s1
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27n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Reagents: Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE1 catalytic domain (>95% pure); APP Swed...


US Patent US9745324 (2017)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM337542
PNG
(US9745324, 11)
Show SMILES CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(=O)c2ncc(cc2C)C#N)ccc1F
Show InChI InChI=1S/C22H25FN6O3S/c1-13-8-14(10-24)11-26-18(13)19(30)27-15-6-7-17(23)16(9-15)22(4)12-29(5)33(31,32)21(2,3)20(25)28-22/h6-9,11H,12H2,1-5H3,(H2,25,28)(H,27,30)/t22-/m0/s1
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28n/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...


US Patent US9745324 (2017)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM337539
PNG
(US9745324, 8)
Show SMILES CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F
Show InChI InChI=1S/C21H23FN6O3S/c1-20(2)19(24)27-21(3,12-28(4)32(20,30)31)15-9-14(6-7-16(15)22)26-18(29)17-8-5-13(10-23)11-25-17/h5-9,11H,12H2,1-4H3,(H2,24,27)(H,26,29)/t21-/m0/s1
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32n/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...


US Patent US9745324 (2017)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM337540
PNG
(US9745324, 9)
Show SMILES COc1cnc(C(=O)Nc2ccc(F)c(c2)[C@]2(C)CN(C)S(=O)(=O)C(C)(C)C(=N)N2)c(C)c1
Show InChI InChI=1S/C22H28FN5O4S/c1-13-9-15(32-6)11-25-18(13)19(29)26-14-7-8-17(23)16(10-14)22(4)12-28(5)33(30,31)21(2,3)20(24)27-22/h7-11H,12H2,1-6H3,(H2,24,27)(H,26,29)/t22-/m0/s1
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32n/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...


US Patent US9745324 (2017)

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


(Homo sapiens (Human))
BDBM337535
PNG
(US9745324, 4)
Show SMILES CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(=O)c2ccc(OC(F)F)cn2)ccc1F
Show InChI InChI=1S/C21H24F3N5O4S/c1-20(2)18(25)28-21(3,11-29(4)34(20,31)32)14-9-12(5-7-15(14)22)27-17(30)16-8-6-13(10-26-16)33-19(23)24/h5-10,19H,11H2,1-4H3,(H2,25,28)(H,27,30)/t21-/m0/s1
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32n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Reagents: Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE1 catalytic domain (>95% pure); APP Swed...


US Patent US9745324 (2017)

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


(Homo sapiens (Human))
BDBM337537
PNG
(US9745324, 6)
Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CN(C)S(=O)(=O)C(C)(C)C(=N)N1
Show InChI InChI=1S/C21H26FN5O4S/c1-20(2)19(23)26-21(3,12-27(4)32(20,29)30)15-10-13(6-8-16(15)22)25-18(28)17-9-7-14(31-5)11-24-17/h6-11H,12H2,1-5H3,(H2,23,26)(H,25,28)/t21-/m0/s1
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33n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Reagents: Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE1 catalytic domain (>95% pure); APP Swed...


US Patent US9745324 (2017)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM337570
PNG
(US9745324, 39)
Show SMILES CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(=O)c2cnc(OCC#C)cn2)ccc1F
Show InChI InChI=1S/C22H25FN6O4S/c1-6-9-33-18-12-25-17(11-26-18)19(30)27-14-7-8-16(23)15(10-14)22(4)13-29(5)34(31,32)21(2,3)20(24)28-22/h1,7-8,10-12H,9,13H2,2-5H3,(H2,24,28)(H,27,30)/t22-/m0/s1
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34.3n/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...


US Patent US9745324 (2017)

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


(Homo sapiens (Human))
BDBM337532
PNG
(US9745324, 1)
Show SMILES COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CN(C)S(=O)(=O)C(C)(C)C(=N)N1
Show InChI InChI=1S/C20H25FN6O4S/c1-19(2)18(22)26-20(3,11-27(4)32(19,29)30)13-8-12(6-7-14(13)21)25-17(28)15-9-24-16(31-5)10-23-15/h6-10H,11H2,1-5H3,(H2,22,26)(H,25,28)/t20-/m0/s1
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37n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Reagents: Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE1 catalytic domain (>95% pure); APP Swed...


US Patent US9745324 (2017)

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


(Homo sapiens (Human))
BDBM337569
PNG
(US9745324, 38)
Show SMILES CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(=O)c2ccc(OCF)cn2)ccc1F
Show InChI InChI=1S/C21H25F2N5O4S/c1-20(2)19(24)27-21(3,11-28(4)33(20,30)31)15-9-13(5-7-16(15)23)26-18(29)17-8-6-14(10-25-17)32-12-22/h5-10H,11-12H2,1-4H3,(H2,24,27)(H,26,29)/t21-/m0/s1
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37n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Reagents: Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE1 catalytic domain (>95% pure); APP Swed...


US Patent US9745324 (2017)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM337549
PNG
(US9745324, 18)
Show SMILES CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(=O)c2ccn(C)n2)ccc1F
Show InChI InChI=1S/C19H25FN6O3S/c1-18(2)17(21)23-19(3,11-26(5)30(18,28)29)13-10-12(6-7-14(13)20)22-16(27)15-8-9-25(4)24-15/h6-10H,11H2,1-5H3,(H2,21,23)(H,22,27)/t19-/m0/s1
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42n/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...


US Patent US9745324 (2017)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM337552
PNG
(US9745324, 21)
Show SMILES CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(=O)c2ccccn2)ccc1F
Show InChI InChI=1S/C20H24FN5O3S/c1-19(2)18(22)25-20(3,12-26(4)30(19,28)29)14-11-13(8-9-15(14)21)24-17(27)16-7-5-6-10-23-16/h5-11H,12H2,1-4H3,(H2,22,25)(H,24,27)/t20-/m0/s1
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43n/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...


US Patent US9745324 (2017)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM337537
PNG
(US9745324, 6)
Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CN(C)S(=O)(=O)C(C)(C)C(=N)N1
Show InChI InChI=1S/C21H26FN5O4S/c1-20(2)19(23)26-21(3,12-27(4)32(20,29)30)15-10-13(6-8-16(15)22)25-18(28)17-9-7-14(31-5)11-24-17/h6-11H,12H2,1-5H3,(H2,23,26)(H,25,28)/t21-/m0/s1
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44n/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...


US Patent US9745324 (2017)

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


(Homo sapiens (Human))
BDBM337533
PNG
(US9745324, 2)
Show SMILES CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(=O)c2ccn(n2)C(F)F)ccc1F
Show InChI InChI=1S/C19H23F3N6O3S/c1-18(2)16(23)25-19(3,10-27(4)32(18,30)31)12-9-11(5-6-13(12)20)24-15(29)14-7-8-28(26-14)17(21)22/h5-9,17H,10H2,1-4H3,(H2,23,25)(H,24,29)/t19-/m0/s1
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46n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Reagents: Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE1 catalytic domain (>95% pure); APP Swed...


US Patent US9745324 (2017)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM337569
PNG
(US9745324, 38)
Show SMILES CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(=O)c2ccc(OCF)cn2)ccc1F
Show InChI InChI=1S/C21H25F2N5O4S/c1-20(2)19(24)27-21(3,11-28(4)33(20,30)31)15-9-13(5-7-16(15)23)26-18(29)17-8-6-14(10-25-17)32-12-22/h5-10H,11-12H2,1-4H3,(H2,24,27)(H,26,29)/t21-/m0/s1
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46n/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...


US Patent US9745324 (2017)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM337558
PNG
(US9745324, 27)
Show SMILES CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(=O)c2cn3ccsc3n2)ccc1F
Show InChI InChI=1S/C20H23FN6O3S2/c1-19(2)17(22)25-20(3,11-26(4)32(19,29)30)13-9-12(5-6-14(13)21)23-16(28)15-10-27-7-8-31-18(27)24-15/h5-10H,11H2,1-4H3,(H2,22,25)(H,23,28)/t20-/m0/s1
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46n/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...


US Patent US9745324 (2017)

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


(Homo sapiens (Human))
BDBM337545
PNG
(US9745324, 14)
Show SMILES CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(=O)c2cnc(OCCF)cn2)ccc1F
Show InChI InChI=1S/C21H26F2N6O4S/c1-20(2)19(24)28-21(3,12-29(4)34(20,31)32)14-9-13(5-6-15(14)23)27-18(30)16-10-26-17(11-25-16)33-8-7-22/h5-6,9-11H,7-8,12H2,1-4H3,(H2,24,28)(H,27,30)/t21-/m0/s1
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52n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Reagents: Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE1 catalytic domain (>95% pure); APP Swed...


US Patent US9745324 (2017)

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


(Homo sapiens (Human))
BDBM337534
PNG
(US9745324, 3)
Show SMILES CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F
Show InChI InChI=1S/C20H23F2N5O3S/c1-19(2)18(23)26-20(3,11-27(4)31(19,29)30)14-9-13(6-7-15(14)22)25-17(28)16-8-5-12(21)10-24-16/h5-10H,11H2,1-4H3,(H2,23,26)(H,25,28)/t20-/m0/s1
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54n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Reagents: Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE1 catalytic domain (>95% pure); APP Swed...


US Patent US9745324 (2017)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM337563
PNG
(US9745324, 32)
Show SMILES CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(=O)c2nc(C)oc2C)ccc1F
Show InChI InChI=1S/C20H26FN5O4S/c1-11-16(23-12(2)30-11)17(27)24-13-7-8-15(21)14(9-13)20(5)10-26(6)31(28,29)19(3,4)18(22)25-20/h7-9H,10H2,1-6H3,(H2,22,25)(H,24,27)/t20-/m0/s1
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54n/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...


US Patent US9745324 (2017)

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


(Homo sapiens (Human))
BDBM337536
PNG
(US9745324, 5)
Show SMILES CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(=O)c2ccc(cn2)C(F)(F)F)ccc1F
Show InChI InChI=1S/C21H23F4N5O3S/c1-19(2)18(26)29-20(3,11-30(4)34(19,32)33)14-9-13(6-7-15(14)22)28-17(31)16-8-5-12(10-27-16)21(23,24)25/h5-10H,11H2,1-4H3,(H2,26,29)(H,28,31)/t20-/m0/s1
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59n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Reagents: Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE1 catalytic domain (>95% pure); APP Swed...


US Patent US9745324 (2017)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM337541
PNG
(US9745324, 10)
Show SMILES COc1cnc(C(=O)Nc2ccc(F)c(c2)[C@]2(C)CN(C)S(=O)(=O)C(C)(C)C(=N)N2)c(C)n1
Show InChI InChI=1S/C21H27FN6O4S/c1-12-17(24-10-16(25-12)32-6)18(29)26-13-7-8-15(22)14(9-13)21(4)11-28(5)33(30,31)20(2,3)19(23)27-21/h7-10H,11H2,1-6H3,(H2,23,27)(H,26,29)/t21-/m0/s1
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59n/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...


US Patent US9745324 (2017)

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


(Homo sapiens (Human))
BDBM337541
PNG
(US9745324, 10)
Show SMILES COc1cnc(C(=O)Nc2ccc(F)c(c2)[C@]2(C)CN(C)S(=O)(=O)C(C)(C)C(=N)N2)c(C)n1
Show InChI InChI=1S/C21H27FN6O4S/c1-12-17(24-10-16(25-12)32-6)18(29)26-13-7-8-15(22)14(9-13)21(4)11-28(5)33(30,31)20(2,3)19(23)27-21/h7-10H,11H2,1-6H3,(H2,23,27)(H,26,29)/t21-/m0/s1
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62n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Reagents: Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE1 catalytic domain (>95% pure); APP Swed...


US Patent US9745324 (2017)

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


(Homo sapiens (Human))
BDBM337547
PNG
(US9745324, 16)
Show SMILES CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(=O)c2cnsn2)ccc1F
Show InChI InChI=1S/C17H21FN6O3S2/c1-16(2)15(19)22-17(3,9-24(4)29(16,26)27)11-7-10(5-6-12(11)18)21-14(25)13-8-20-28-23-13/h5-8H,9H2,1-4H3,(H2,19,22)(H,21,25)/t17-/m0/s1
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64n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Reagents: Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE1 catalytic domain (>95% pure); APP Swed...


US Patent US9745324 (2017)

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


(Homo sapiens (Human))
BDBM337540
PNG
(US9745324, 9)
Show SMILES COc1cnc(C(=O)Nc2ccc(F)c(c2)[C@]2(C)CN(C)S(=O)(=O)C(C)(C)C(=N)N2)c(C)c1
Show InChI InChI=1S/C22H28FN5O4S/c1-13-9-15(32-6)11-25-18(13)19(29)26-14-7-8-17(23)16(10-14)22(4)12-28(5)33(30,31)21(2,3)20(24)27-22/h7-11H,12H2,1-6H3,(H2,24,27)(H,26,29)/t22-/m0/s1
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68n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Reagents: Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE1 catalytic domain (>95% pure); APP Swed...


US Patent US9745324 (2017)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM337532
PNG
(US9745324, 1)
Show SMILES COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CN(C)S(=O)(=O)C(C)(C)C(=N)N1
Show InChI InChI=1S/C20H25FN6O4S/c1-19(2)18(22)26-20(3,11-27(4)32(19,29)30)13-8-12(6-7-14(13)21)25-17(28)15-9-24-16(31-5)10-23-15/h6-10H,11H2,1-5H3,(H2,22,26)(H,25,28)/t20-/m0/s1
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102n/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...


US Patent US9745324 (2017)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM337544
PNG
(US9745324, 13)
Show SMILES CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(=O)c2cnccn2)ccc1F
Show InChI InChI=1S/C19H23FN6O3S/c1-18(2)17(21)25-19(3,11-26(4)30(18,28)29)13-9-12(5-6-14(13)20)24-16(27)15-10-22-7-8-23-15/h5-10H,11H2,1-4H3,(H2,21,25)(H,24,27)/t19-/m0/s1
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110n/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...


US Patent US9745324 (2017)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM337536
PNG
(US9745324, 5)
Show SMILES CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(=O)c2ccc(cn2)C(F)(F)F)ccc1F
Show InChI InChI=1S/C21H23F4N5O3S/c1-19(2)18(26)29-20(3,11-30(4)34(19,32)33)14-9-13(6-7-15(14)22)28-17(31)16-8-5-12(10-27-16)21(23,24)25/h5-10H,11H2,1-4H3,(H2,26,29)(H,28,31)/t20-/m0/s1
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115n/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...


US Patent US9745324 (2017)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM337556
PNG
(US9745324, 25)
Show SMILES COCC(=O)Nc1ccc(F)c(c1)[C@]1(C)CN(C)S(=O)(=O)C(C)(C)C(=N)N1
Show InChI InChI=1S/C17H25FN4O4S/c1-16(2)15(19)21-17(3,10-22(4)27(16,24)25)12-8-11(6-7-13(12)18)20-14(23)9-26-5/h6-8H,9-10H2,1-5H3,(H2,19,21)(H,20,23)/t17-/m0/s1
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122n/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...


US Patent US9745324 (2017)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM337535
PNG
(US9745324, 4)
Show SMILES CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(=O)c2ccc(OC(F)F)cn2)ccc1F
Show InChI InChI=1S/C21H24F3N5O4S/c1-20(2)18(25)28-21(3,11-29(4)34(20,31)32)14-9-12(5-7-15(14)22)27-17(30)16-8-6-13(10-26-16)33-19(23)24/h5-10,19H,11H2,1-4H3,(H2,25,28)(H,27,30)/t21-/m0/s1
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144n/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...


US Patent US9745324 (2017)

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


(Homo sapiens (Human))
BDBM337568
PNG
(US9745324, 37)
Show SMILES CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(=O)c2cnc(cn2)C(F)(F)F)ccc1F
Show InChI InChI=1S/C20H22F4N6O3S/c1-18(2)17(25)29-19(3,10-30(4)34(18,32)33)12-7-11(5-6-13(12)21)28-16(31)14-8-27-15(9-26-14)20(22,23)24/h5-9H,10H2,1-4H3,(H2,25,29)(H,28,31)/t19-/m0/s1
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153n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Reagents: Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE1 catalytic domain (>95% pure); APP Swed...


US Patent US9745324 (2017)

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


(Homo sapiens (Human))
BDBM337546
PNG
(US9745324, 15)
Show SMILES CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(=O)c2noc(C)n2)ccc1F
Show InChI InChI=1S/C18H23FN6O4S/c1-10-21-14(24-29-10)15(26)22-11-6-7-13(19)12(8-11)18(4)9-25(5)30(27,28)17(2,3)16(20)23-18/h6-8H,9H2,1-5H3,(H2,20,23)(H,22,26)/t18-/m0/s1
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153n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Reagents: Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE1 catalytic domain (>95% pure); APP Swed...


US Patent US9745324 (2017)

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


(Homo sapiens (Human))
BDBM337563
PNG
(US9745324, 32)
Show SMILES CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(=O)c2nc(C)oc2C)ccc1F
Show InChI InChI=1S/C20H26FN5O4S/c1-11-16(23-12(2)30-11)17(27)24-13-7-8-15(21)14(9-13)20(5)10-26(6)31(28,29)19(3,4)18(22)25-20/h7-9H,10H2,1-6H3,(H2,22,25)(H,24,27)/t20-/m0/s1
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165n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Reagents: Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE1 catalytic domain (>95% pure); APP Swed...


US Patent US9745324 (2017)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM337543
PNG
(US9745324, 12)
Show SMILES CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(=O)c2cnc(OCC(F)(F)F)cn2)ccc1F
Show InChI InChI=1S/C21H24F4N6O4S/c1-19(2)18(26)30-20(3,10-31(4)36(19,33)34)13-7-12(5-6-14(13)22)29-17(32)15-8-28-16(9-27-15)35-11-21(23,24)25/h5-9H,10-11H2,1-4H3,(H2,26,30)(H,29,32)/t20-/m0/s1
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171n/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...


US Patent US9745324 (2017)

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


(Homo sapiens (Human))
BDBM337562
PNG
(US9745324, 31)
Show SMILES CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(=O)c2ncc(cn2)C(F)(F)F)ccc1F
Show InChI InChI=1S/C20H22F4N6O3S/c1-18(2)17(25)29-19(3,10-30(4)34(18,32)33)13-7-12(5-6-14(13)21)28-16(31)15-26-8-11(9-27-15)20(22,23)24/h5-9H,10H2,1-4H3,(H2,25,29)(H,28,31)/t19-/m0/s1
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189n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Reagents: Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE1 catalytic domain (>95% pure); APP Swed...


US Patent US9745324 (2017)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM337567
PNG
(US9745324, 36)
Show SMILES CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(=O)c2ccc(OCC#C)cn2)ccc1F
Show InChI InChI=1S/C23H26FN5O4S/c1-6-11-33-16-8-10-19(26-13-16)20(30)27-15-7-9-18(24)17(12-15)23(4)14-29(5)34(31,32)22(2,3)21(25)28-23/h1,7-10,12-13H,11,14H2,2-5H3,(H2,25,28)(H,27,30)/t23-/m0/s1
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195n/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...


US Patent US9745324 (2017)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM337562
PNG
(US9745324, 31)
Show SMILES CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(=O)c2ncc(cn2)C(F)(F)F)ccc1F
Show InChI InChI=1S/C20H22F4N6O3S/c1-18(2)17(25)29-19(3,10-30(4)34(18,32)33)13-7-12(5-6-14(13)21)28-16(31)15-26-8-11(9-27-15)20(22,23)24/h5-9H,10H2,1-4H3,(H2,25,29)(H,28,31)/t19-/m0/s1
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202n/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...


US Patent US9745324 (2017)

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


(Homo sapiens (Human))
BDBM337574
PNG
(US9745324, 43)
Show SMILES COc1cnc2c(Nc3ccc(F)c(c3)[C@]3(C)CN(C)S(=O)(=O)C(C)(C)C(=N)N3)nccc2c1
Show InChI InChI=1S/C23H27FN6O3S/c1-22(2)21(25)29-23(3,13-30(4)34(22,31)32)17-11-15(6-7-18(17)24)28-20-19-14(8-9-26-20)10-16(33-5)12-27-19/h6-12H,13H2,1-5H3,(H2,25,29)(H,26,28)/t23-/m0/s1
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209n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Reagents: Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE1 catalytic domain (>95% pure); APP Swed...


US Patent US9745324 (2017)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM337545
PNG
(US9745324, 14)
Show SMILES CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(=O)c2cnc(OCCF)cn2)ccc1F
Show InChI InChI=1S/C21H26F2N6O4S/c1-20(2)19(24)28-21(3,12-29(4)34(20,31)32)14-9-13(5-6-15(14)23)27-18(30)16-10-26-17(11-25-16)33-8-7-22/h5-6,9-11H,7-8,12H2,1-4H3,(H2,24,28)(H,27,30)/t21-/m0/s1
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217n/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...


US Patent US9745324 (2017)

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


(Homo sapiens (Human))
BDBM337552
PNG
(US9745324, 21)
Show SMILES CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(=O)c2ccccn2)ccc1F
Show InChI InChI=1S/C20H24FN5O3S/c1-19(2)18(22)25-20(3,12-26(4)30(19,28)29)14-11-13(8-9-15(14)21)24-17(27)16-7-5-6-10-23-16/h5-11H,12H2,1-4H3,(H2,22,25)(H,24,27)/t20-/m0/s1
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228n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Reagents: Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE1 catalytic domain (>95% pure); APP Swed...


US Patent US9745324 (2017)

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


(Homo sapiens (Human))
BDBM337544
PNG
(US9745324, 13)
Show SMILES CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(=O)c2cnccn2)ccc1F
Show InChI InChI=1S/C19H23FN6O3S/c1-18(2)17(21)25-19(3,11-26(4)30(18,28)29)13-9-12(5-6-14(13)20)24-16(27)15-10-22-7-8-23-15/h5-10H,11H2,1-4H3,(H2,21,25)(H,24,27)/t19-/m0/s1
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263n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Reagents: Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE1 catalytic domain (>95% pure); APP Swed...


US Patent US9745324 (2017)

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


(Homo sapiens (Human))
BDBM337549
PNG
(US9745324, 18)
Show SMILES CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(=O)c2ccn(C)n2)ccc1F
Show InChI InChI=1S/C19H25FN6O3S/c1-18(2)17(21)23-19(3,11-26(5)30(18,28)29)13-10-12(6-7-14(13)20)22-16(27)15-8-9-25(4)24-15/h6-10H,11H2,1-5H3,(H2,21,23)(H,22,27)/t19-/m0/s1
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271n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Reagents: Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE1 catalytic domain (>95% pure); APP Swed...


US Patent US9745324 (2017)

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


(Homo sapiens (Human))
BDBM337558
PNG
(US9745324, 27)
Show SMILES CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(=O)c2cn3ccsc3n2)ccc1F
Show InChI InChI=1S/C20H23FN6O3S2/c1-19(2)17(22)25-20(3,11-26(4)32(19,29)30)13-9-12(5-6-14(13)21)23-16(28)15-10-27-7-8-31-18(27)24-15/h5-10H,11H2,1-4H3,(H2,22,25)(H,23,28)/t20-/m0/s1
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285n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Reagents: Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE1 catalytic domain (>95% pure); APP Swed...


US Patent US9745324 (2017)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM337550
PNG
(US9745324, 19)
Show SMILES CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(=O)c2cc(C)on2)ccc1F
Show InChI InChI=1S/C19H24FN5O4S/c1-11-8-15(24-29-11)16(26)22-12-6-7-14(20)13(9-12)19(4)10-25(5)30(27,28)18(2,3)17(21)23-19/h6-9H,10H2,1-5H3,(H2,21,23)(H,22,26)/t19-/m0/s1
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347n/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...


US Patent US9745324 (2017)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM337559
PNG
(US9745324, 28)
Show SMILES CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(=O)C(F)F)ccc1F
Show InChI InChI=1S/C16H21F3N4O3S/c1-15(2)14(20)22-16(3,8-23(4)27(15,25)26)10-7-9(5-6-11(10)17)21-13(24)12(18)19/h5-7,12H,8H2,1-4H3,(H2,20,22)(H,21,24)/t16-/m0/s1
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354n/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...


US Patent US9745324 (2017)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM337568
PNG
(US9745324, 37)
Show SMILES CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(=O)c2cnc(cn2)C(F)(F)F)ccc1F
Show InChI InChI=1S/C20H22F4N6O3S/c1-18(2)17(25)29-19(3,10-30(4)34(18,32)33)12-7-11(5-6-13(12)21)28-16(31)14-8-27-15(9-26-14)20(22,23)24/h5-9H,10H2,1-4H3,(H2,25,29)(H,28,31)/t19-/m0/s1
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361n/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...


US Patent US9745324 (2017)

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


(Homo sapiens (Human))
BDBM337571
PNG
(US9745324, 40)
Show SMILES CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(OCc2ccc(cc2)C#N)ccc1F
Show InChI InChI=1S/C22H25FN4O3S/c1-21(2)20(25)26-22(3,14-27(4)31(21,28)29)18-11-17(9-10-19(18)23)30-13-16-7-5-15(12-24)6-8-16/h5-11H,13-14H2,1-4H3,(H2,25,26)/t22-/m0/s1
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651n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Reagents: Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE1 catalytic domain (>95% pure); APP Swed...


US Patent US9745324 (2017)

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


(Homo sapiens (Human))
BDBM337556
PNG
(US9745324, 25)
Show SMILES COCC(=O)Nc1ccc(F)c(c1)[C@]1(C)CN(C)S(=O)(=O)C(C)(C)C(=N)N1
Show InChI InChI=1S/C17H25FN4O4S/c1-16(2)15(19)21-17(3,10-22(4)27(16,24)25)12-8-11(6-7-13(12)18)20-14(23)9-26-5/h6-8H,9-10H2,1-5H3,(H2,19,21)(H,20,23)/t17-/m0/s1
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756n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Reagents: Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE1 catalytic domain (>95% pure); APP Swed...


US Patent US9745324 (2017)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM337560
PNG
(US9745324, 29)
Show SMILES CO[C@H](C)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CN(C)S(=O)(=O)C(C)(C)C(=N)N1
Show InChI InChI=1S/C18H27FN4O4S/c1-11(27-6)15(24)21-12-7-8-14(19)13(9-12)18(4)10-23(5)28(25,26)17(2,3)16(20)22-18/h7-9,11H,10H2,1-6H3,(H2,20,22)(H,21,24)/t11-,18+/m1/s1
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798n/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...


US Patent US9745324 (2017)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM337566
PNG
(US9745324, 35)
Show SMILES CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(C)=O)ccc1F
Show InChI InChI=1S/C16H23FN4O3S/c1-10(22)19-11-6-7-13(17)12(8-11)16(4)9-21(5)25(23,24)15(2,3)14(18)20-16/h6-8H,9H2,1-5H3,(H2,18,20)(H,19,22)/t16-/m0/s1
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917n/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...


US Patent US9745324 (2017)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM337553
PNG
(US9745324, 22)
Show SMILES CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(=O)c2cc(C)no2)ccc1F
Show InChI InChI=1S/C19H24FN5O4S/c1-11-8-15(29-24-11)16(26)22-12-6-7-14(20)13(9-12)19(4)10-25(5)30(27,28)18(2,3)17(21)23-19/h6-9H,10H2,1-5H3,(H2,21,23)(H,22,26)/t19-/m0/s1
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US Patent
1.02E+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...


US Patent US9745324 (2017)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM337564
PNG
(US9745324, 33)
Show SMILES CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(=O)C2CC2)ccc1F
Show InChI InChI=1S/C18H25FN4O3S/c1-17(2)16(20)22-18(3,10-23(4)27(17,25)26)13-9-12(7-8-14(13)19)21-15(24)11-5-6-11/h7-9,11H,5-6,10H2,1-4H3,(H2,20,22)(H,21,24)/t18-/m0/s1
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1.03E+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...


US Patent US9745324 (2017)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM337565
PNG
(US9745324, 34)
Show SMILES CO[C@@H](C)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CN(C)S(=O)(=O)C(C)(C)C(=N)N1
Show InChI InChI=1S/C18H27FN4O4S/c1-11(27-6)15(24)21-12-7-8-14(19)13(9-12)18(4)10-23(5)28(25,26)17(2,3)16(20)22-18/h7-9,11H,10H2,1-6H3,(H2,20,22)(H,21,24)/t11-,18-/m0/s1
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US Patent
1.12E+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...


US Patent US9745324 (2017)

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


(Homo sapiens (Human))
BDBM337551
PNG
(US9745324, 20)
Show SMILES CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(=O)c2ccc3nc(C)oc3c2)ccc1F
Show InChI InChI=1S/C23H26FN5O4S/c1-13-26-18-9-6-14(10-19(18)33-13)20(30)27-15-7-8-17(24)16(11-15)23(4)12-29(5)34(31,32)22(2,3)21(25)28-23/h6-11H,12H2,1-5H3,(H2,25,28)(H,27,30)/t23-/m0/s1
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1.14E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Reagents: Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE1 catalytic domain (>95% pure); APP Swed...


US Patent US9745324 (2017)

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


(Homo sapiens (Human))
BDBM337559
PNG
(US9745324, 28)
Show SMILES CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(=O)C(F)F)ccc1F
Show InChI InChI=1S/C16H21F3N4O3S/c1-15(2)14(20)22-16(3,8-23(4)27(15,25)26)10-7-9(5-6-11(10)17)21-13(24)12(18)19/h5-7,12H,8H2,1-4H3,(H2,20,22)(H,21,24)/t16-/m0/s1
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1.20E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Reagents: Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE1 catalytic domain (>95% pure); APP Swed...


US Patent US9745324 (2017)

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


(Homo sapiens (Human))
BDBM337575
PNG
(US9745324, 44)
Show SMILES CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(Nc2nccn3ccnc23)ccc1F
Show InChI InChI=1S/C20H24FN7O2S/c1-19(2)18(22)26-20(3,12-27(4)31(19,29)30)14-11-13(5-6-15(14)21)25-16-17-24-8-10-28(17)9-7-23-16/h5-11H,12H2,1-4H3,(H2,22,26)(H,23,25)/t20-/m0/s1
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1.35E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Reagents: Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE1 catalytic domain (>95% pure); APP Swed...


US Patent US9745324 (2017)

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


(Homo sapiens (Human))
BDBM337550
PNG
(US9745324, 19)
Show SMILES CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(=O)c2cc(C)on2)ccc1F
Show InChI InChI=1S/C19H24FN5O4S/c1-11-8-15(24-29-11)16(26)22-12-6-7-14(20)13(9-12)19(4)10-25(5)30(27,28)18(2,3)17(21)23-19/h6-9H,10H2,1-5H3,(H2,21,23)(H,22,26)/t19-/m0/s1
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1.37E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Reagents: Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE1 catalytic domain (>95% pure); APP Swed...


US Patent US9745324 (2017)

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


(Homo sapiens (Human))
BDBM337553
PNG
(US9745324, 22)
Show SMILES CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(=O)c2cc(C)no2)ccc1F
Show InChI InChI=1S/C19H24FN5O4S/c1-11-8-15(29-24-11)16(26)22-12-6-7-14(20)13(9-12)19(4)10-25(5)30(27,28)18(2,3)17(21)23-19/h6-9H,10H2,1-5H3,(H2,21,23)(H,22,26)/t19-/m0/s1
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1.69E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Reagents: Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE1 catalytic domain (>95% pure); APP Swed...


US Patent US9745324 (2017)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM337561
PNG
(US9745324, 30)
Show SMILES CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(=O)CC2CC2)ccc1F
Show InChI InChI=1S/C19H27FN4O3S/c1-18(2)17(21)23-19(3,11-24(4)28(18,26)27)14-10-13(7-8-15(14)20)22-16(25)9-12-5-6-12/h7-8,10,12H,5-6,9,11H2,1-4H3,(H2,21,23)(H,22,25)/t19-/m0/s1
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2.19E+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...


US Patent US9745324 (2017)

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


(Homo sapiens (Human))
BDBM337565
PNG
(US9745324, 34)
Show SMILES CO[C@@H](C)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CN(C)S(=O)(=O)C(C)(C)C(=N)N1
Show InChI InChI=1S/C18H27FN4O4S/c1-11(27-6)15(24)21-12-7-8-14(19)13(9-12)18(4)10-23(5)28(25,26)17(2,3)16(20)22-18/h7-9,11H,10H2,1-6H3,(H2,20,22)(H,21,24)/t11-,18-/m0/s1
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3.06E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Reagents: Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE1 catalytic domain (>95% pure); APP Swed...


US Patent US9745324 (2017)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM337555
PNG
(US9745324, 24)
Show SMILES COCCC(=O)Nc1ccc(F)c(c1)[C@]1(C)CN(C)S(=O)(=O)C(C)(C)C(=N)N1
Show InChI InChI=1S/C18H27FN4O4S/c1-17(2)16(20)22-18(3,11-23(4)28(17,25)26)13-10-12(6-7-14(13)19)21-15(24)8-9-27-5/h6-7,10H,8-9,11H2,1-5H3,(H2,20,22)(H,21,24)/t18-/m0/s1
PDB

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4.09E+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...


US Patent US9745324 (2017)

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


(Homo sapiens (Human))
BDBM337564
PNG
(US9745324, 33)
Show SMILES CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(=O)C2CC2)ccc1F
Show InChI InChI=1S/C18H25FN4O3S/c1-17(2)16(20)22-18(3,10-23(4)27(17,25)26)13-9-12(7-8-14(13)19)21-15(24)11-5-6-11/h7-9,11H,5-6,10H2,1-4H3,(H2,20,22)(H,21,24)/t18-/m0/s1
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4.35E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Reagents: Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE1 catalytic domain (>95% pure); APP Swed...


US Patent US9745324 (2017)

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


(Homo sapiens (Human))
BDBM337560
PNG
(US9745324, 29)
Show SMILES CO[C@H](C)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CN(C)S(=O)(=O)C(C)(C)C(=N)N1
Show InChI InChI=1S/C18H27FN4O4S/c1-11(27-6)15(24)21-12-7-8-14(19)13(9-12)18(4)10-23(5)28(25,26)17(2,3)16(20)22-18/h7-9,11H,10H2,1-6H3,(H2,20,22)(H,21,24)/t11-,18+/m1/s1
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4.68E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Reagents: Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE1 catalytic domain (>95% pure); APP Swed...


US Patent US9745324 (2017)

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


(Homo sapiens (Human))
BDBM337548
PNG
(US9745324, 17)
Show SMILES CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(=O)c2cn3ccc(cc3n2)C#N)ccc1F
Show InChI InChI=1S/C23H24FN7O3S/c1-22(2)21(26)29-23(3,13-30(4)35(22,33)34)16-10-15(5-6-17(16)24)27-20(32)18-12-31-8-7-14(11-25)9-19(31)28-18/h5-10,12H,13H2,1-4H3,(H2,26,29)(H,27,32)/t23-/m0/s1
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5.63E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Reagents: Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE1 catalytic domain (>95% pure); APP Swed...


US Patent US9745324 (2017)

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


(Homo sapiens (Human))
BDBM337566
PNG
(US9745324, 35)
Show SMILES CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(C)=O)ccc1F
Show InChI InChI=1S/C16H23FN4O3S/c1-10(22)19-11-6-7-13(17)12(8-11)16(4)9-21(5)25(23,24)15(2,3)14(18)20-16/h6-8H,9H2,1-5H3,(H2,18,20)(H,19,22)/t16-/m0/s1
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5.93E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Reagents: Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE1 catalytic domain (>95% pure); APP Swed...


US Patent US9745324 (2017)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM337557
PNG
(US9745324, 26)
Show SMILES CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(=O)c2cn(C)nc2C(F)(F)F)ccc1F
Show InChI InChI=1S/C20H24F4N6O3S/c1-18(2)17(25)27-19(3,10-30(5)34(18,32)33)13-8-11(6-7-14(13)21)26-16(31)12-9-29(4)28-15(12)20(22,23)24/h6-9H,10H2,1-5H3,(H2,25,27)(H,26,31)/t19-/m0/s1
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6.51E+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...


US Patent US9745324 (2017)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM337548
PNG
(US9745324, 17)
Show SMILES CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(=O)c2cn3ccc(cc3n2)C#N)ccc1F
Show InChI InChI=1S/C23H24FN7O3S/c1-22(2)21(26)29-23(3,13-30(4)35(22,33)34)16-10-15(5-6-17(16)24)27-20(32)18-12-31-8-7-14(11-25)9-19(31)28-18/h5-10,12H,13H2,1-4H3,(H2,26,29)(H,27,32)/t23-/m0/s1
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7.49E+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...


US Patent US9745324 (2017)

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


(Homo sapiens (Human))
BDBM337557
PNG
(US9745324, 26)
Show SMILES CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(=O)c2cn(C)nc2C(F)(F)F)ccc1F
Show InChI InChI=1S/C20H24F4N6O3S/c1-18(2)17(25)27-19(3,10-30(5)34(18,32)33)13-8-11(6-7-14(13)21)26-16(31)12-9-29(4)28-15(12)20(22,23)24/h6-9H,10H2,1-5H3,(H2,25,27)(H,26,31)/t19-/m0/s1
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8.79E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Reagents: Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE1 catalytic domain (>95% pure); APP Swed...


US Patent US9745324 (2017)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM337551
PNG
(US9745324, 20)
Show SMILES CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(=O)c2ccc3nc(C)oc3c2)ccc1F
Show InChI InChI=1S/C23H26FN5O4S/c1-13-26-18-9-6-14(10-19(18)33-13)20(30)27-15-7-8-17(24)16(11-15)23(4)12-29(5)34(31,32)22(2,3)21(25)28-23/h6-11H,12H2,1-5H3,(H2,25,28)(H,27,30)/t23-/m0/s1
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>9.54E+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...


US Patent US9745324 (2017)

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


(Homo sapiens (Human))
BDBM337555
PNG
(US9745324, 24)
Show SMILES COCCC(=O)Nc1ccc(F)c(c1)[C@]1(C)CN(C)S(=O)(=O)C(C)(C)C(=N)N1
Show InChI InChI=1S/C18H27FN4O4S/c1-17(2)16(20)22-18(3,11-23(4)28(17,25)26)13-10-12(6-7-14(13)19)21-15(24)8-9-27-5/h6-7,10H,8-9,11H2,1-5H3,(H2,20,22)(H,21,24)/t18-/m0/s1
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>9.76E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Reagents: Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE1 catalytic domain (>95% pure); APP Swed...


US Patent US9745324 (2017)

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


(Homo sapiens (Human))
BDBM337561
PNG
(US9745324, 30)
Show SMILES CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(=O)CC2CC2)ccc1F
Show InChI InChI=1S/C19H27FN4O3S/c1-18(2)17(21)23-19(3,11-24(4)28(18,26)27)14-10-13(7-8-15(14)20)22-16(25)9-12-5-6-12/h7-8,10,12H,5-6,9,11H2,1-4H3,(H2,21,23)(H,22,25)/t19-/m0/s1
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>9.76E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Reagents: Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE1 catalytic domain (>95% pure); APP Swed...


US Patent US9745324 (2017)

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Ligand-Target Pair
* indicates data uncertainty>20%