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Patent code US9365589

Compile Data Set for Download or QSAR
Found 82 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))
BDBM236596
PNG
(US9365589, 1w)
Show SMILES CC1(C)C(=N)N[C@]2(COC[C@H]2S1(=O)=O)c1cc(NC(=O)c2cnc(OCC#C)cn2)ccc1F
Show InChI InChI=1S/C22H22FN5O5S/c1-4-7-33-18-10-25-16(9-26-18)19(29)27-13-5-6-15(23)14(8-13)22-12-32-11-17(22)34(30,31)21(2,3)20(24)28-22/h1,5-6,8-10,17H,7,11-12H2,2-3H3,(H2,24,28)(H,27,29)/t17-,22-/m1/s1
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1n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
This assay monitors the increase of 620 nm fluorescence that resulted from BACE1 cleavage of an APPswedish APPswe mutant peptide FRET substrate (QSY7...


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


(Homo sapiens (Human))
BDBM236603
PNG
(US9365589, 4c | US9365589, 4f)
Show SMILES CC1(C)C(=N)N[C@]2(COC(CF)[C@H]2S1(=O)=O)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F
Show InChI InChI=1S/C21H21ClF2N4O4S/c1-20(2)19(25)28-21(10-32-16(8-23)17(21)33(20,30)31)13-7-12(4-5-14(13)24)27-18(29)15-6-3-11(22)9-26-15/h3-7,9,16-17H,8,10H2,1-2H3,(H2,25,28)(H,27,29)/t16?,17-,21-/m1/s1
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US Patent
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))
BDBM236595
PNG
(US9365589, 1v)
Show SMILES CC1(C)C(=N)N[C@]2(COC[C@H]2S1(=O)=O)c1cc(NC(=O)c2cnsn2)ccc1F
Show InChI InChI=1S/C17H18FN5O4S2/c1-16(2)15(19)22-17(8-27-7-13(17)29(16,25)26)10-5-9(3-4-11(10)18)21-14(24)12-6-20-28-23-12/h3-6,13H,7-8H2,1-2H3,(H2,19,22)(H,21,24)/t13-,17-/m1/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 1


(Homo sapiens (Human))
BDBM236610
PNG
(US9365589, 8b)
Show SMILES C[C@]1(C(=N)N[C@]2(COC[C@H]2S1(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F)c1ccc(F)cc1
Show InChI InChI=1S/C25H21F3N4O4S/c1-24(14-2-4-15(26)5-3-14)23(29)32-25(13-36-12-21(25)37(24,34)35)18-10-17(7-8-19(18)28)31-22(33)20-9-6-16(27)11-30-20/h2-11,21H,12-13H2,1H3,(H2,29,32)(H,31,33)/t21-,24-,25-/m1/s1
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1n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
This assay monitors the increase of 620 nm fluorescence that resulted from BACE1 cleavage of an APPswedish APPswe mutant peptide FRET substrate (QSY7...


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


(Homo sapiens (Human))
BDBM236594
PNG
(US9365589, 1u)
Show SMILES Cc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@]12COC[C@H]1S(=O)(=O)C(C)(C)C(=N)N2)C#N
Show InChI InChI=1S/C22H22FN5O4S/c1-12-6-13(8-24)9-26-18(12)19(29)27-14-4-5-16(23)15(7-14)22-11-32-10-17(22)33(30,31)21(2,3)20(25)28-22/h4-7,9,17H,10-11H2,1-3H3,(H2,25,28)(H,27,29)/t17-,22-/m1/s1
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1n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
This assay monitors the increase of 620 nm fluorescence that resulted from BACE1 cleavage of an APPswedish APPswe mutant peptide FRET substrate (QSY7...


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


(Homo sapiens (Human))
BDBM236591
PNG
(US9365589, 1r)
Show SMILES CC1(C)C(=N)N[C@]2(COC[C@H]2S1(=O)=O)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F
Show InChI InChI=1S/C21H20FN5O4S/c1-20(2)19(24)27-21(11-31-10-17(21)32(20,29)30)14-7-13(4-5-15(14)22)26-18(28)16-6-3-12(8-23)9-25-16/h3-7,9,17H,10-11H2,1-2H3,(H2,24,27)(H,26,28)/t17-,21-/m1/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))
BDBM236594
PNG
(US9365589, 1u)
Show SMILES Cc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@]12COC[C@H]1S(=O)(=O)C(C)(C)C(=N)N2)C#N
Show InChI InChI=1S/C22H22FN5O4S/c1-12-6-13(8-24)9-26-18(12)19(29)27-14-4-5-16(23)15(7-14)22-11-32-10-17(22)33(30,31)21(2,3)20(25)28-22/h4-7,9,17H,10-11H2,1-3H3,(H2,25,28)(H,27,29)/t17-,22-/m1/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))
BDBM236592
PNG
(US9365589, 1s)
Show SMILES COc1cnc(C(=O)Nc2ccc(F)c(c2)[C@]23COC[C@H]2S(=O)(=O)C(C)(C)C(=N)N3)c(C)c1
Show InChI InChI=1S/C22H25FN4O5S/c1-12-7-14(31-4)9-25-18(12)19(28)26-13-5-6-16(23)15(8-13)22-11-32-10-17(22)33(29,30)21(2,3)20(24)27-22/h5-9,17H,10-11H2,1-4H3,(H2,24,27)(H,26,28)/t17-,22-/m1/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 1


(Homo sapiens (Human))
BDBM236598
PNG
(US9365589, 1y)
Show SMILES CC1(C)C(=N)N[C@]2(COC[C@H]2S1(=O)=O)c1cc(NC(=O)c2ccc(OCC#C)cn2)ccc1F
Show InChI InChI=1S/C23H23FN4O5S/c1-4-9-33-15-6-8-18(26-11-15)20(29)27-14-5-7-17(24)16(10-14)23-13-32-12-19(23)34(30,31)22(2,3)21(25)28-23/h1,5-8,10-11,19H,9,12-13H2,2-3H3,(H2,25,28)(H,27,29)/t19-,23-/m1/s1
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1n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
This assay monitors the increase of 620 nm fluorescence that resulted from BACE1 cleavage of an APPswedish APPswe mutant peptide FRET substrate (QSY7...


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


(Homo sapiens (Human))
BDBM236591
PNG
(US9365589, 1r)
Show SMILES CC1(C)C(=N)N[C@]2(COC[C@H]2S1(=O)=O)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F
Show InChI InChI=1S/C21H20FN5O4S/c1-20(2)19(24)27-21(11-31-10-17(21)32(20,29)30)14-7-13(4-5-15(14)22)26-18(28)16-6-3-12(8-23)9-25-16/h3-7,9,17H,10-11H2,1-2H3,(H2,24,27)(H,26,28)/t17-,21-/m1/s1
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1n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
This assay monitors the increase of 620 nm fluorescence that resulted from BACE1 cleavage of an APPswedish APPswe mutant peptide FRET substrate (QSY7...


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


(Homo sapiens (Human))
BDBM236601
PNG
(US9365589, 4a | US9365589, 4b)
Show SMILES CC1(C)C(=N)N[C@]2(COC(CF)[C@H]2S1(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F
Show InChI InChI=1S/C21H21F3N4O4S/c1-20(2)19(25)28-21(10-32-16(8-22)17(21)33(20,30)31)13-7-12(4-5-14(13)24)27-18(29)15-6-3-11(23)9-26-15/h3-7,9,16-17H,8,10H2,1-2H3,(H2,25,28)(H,27,29)/t16?,17-,21-/m1/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))
BDBM236599
PNG
(US9365589, 1z)
Show SMILES CC1(C)C(=N)N[C@]2(COC[C@H]2S1(=O)=O)c1cc(NC(=O)c2ccn(n2)C(F)F)ccc1F
Show InChI InChI=1S/C19H20F3N5O4S/c1-18(2)16(23)25-19(9-31-8-14(19)32(18,29)30)11-7-10(3-4-12(11)20)24-15(28)13-5-6-27(26-13)17(21)22/h3-7,14,17H,8-9H2,1-2H3,(H2,23,25)(H,24,28)/t14-,19-/m1/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))
BDBM236585
PNG
(US9365589, 1l)
Show SMILES Cc1nc(C(=O)Nc2ccc(F)c(c2)[C@]23COC[C@H]2S(=O)(=O)C(C)(C)C(=N)N3)c(C)o1
Show InChI InChI=1S/C20H23FN4O5S/c1-10-16(23-11(2)30-10)17(26)24-12-5-6-14(21)13(7-12)20-9-29-8-15(20)31(27,28)19(3,4)18(22)25-20/h5-7,15H,8-9H2,1-4H3,(H2,22,25)(H,24,26)/t15-,20-/m1/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 1


(Homo sapiens (Human))
BDBM236603
PNG
(US9365589, 4c | US9365589, 4f)
Show SMILES CC1(C)C(=N)N[C@]2(COC(CF)[C@H]2S1(=O)=O)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F
Show InChI InChI=1S/C21H21ClF2N4O4S/c1-20(2)19(25)28-21(10-32-16(8-23)17(21)33(20,30)31)13-7-12(4-5-14(13)24)27-18(29)15-6-3-11(22)9-26-15/h3-7,9,16-17H,8,10H2,1-2H3,(H2,25,28)(H,27,29)/t16?,17-,21-/m1/s1
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1n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
This assay monitors the increase of 620 nm fluorescence that resulted from BACE1 cleavage of an APPswedish APPswe mutant peptide FRET substrate (QSY7...


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


(Homo sapiens (Human))
BDBM236599
PNG
(US9365589, 1z)
Show SMILES CC1(C)C(=N)N[C@]2(COC[C@H]2S1(=O)=O)c1cc(NC(=O)c2ccn(n2)C(F)F)ccc1F
Show InChI InChI=1S/C19H20F3N5O4S/c1-18(2)16(23)25-19(9-31-8-14(19)32(18,29)30)11-7-10(3-4-12(11)20)24-15(28)13-5-6-27(26-13)17(21)22/h3-7,14,17H,8-9H2,1-2H3,(H2,23,25)(H,24,28)/t14-,19-/m1/s1
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1n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
This assay monitors the increase of 620 nm fluorescence that resulted from BACE1 cleavage of an APPswedish APPswe mutant peptide FRET substrate (QSY7...


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


(Homo sapiens (Human))
BDBM236584
PNG
(US9365589, 1k)
Show SMILES CC1(C)C(=N)N[C@]2(COC[C@H]2S1(=O)=O)c1cc(NC(=O)c2ncc(Cl)cc2F)ccc1F
Show InChI InChI=1S/C20H19ClF2N4O4S/c1-19(2)18(24)27-20(9-31-8-15(20)32(19,29)30)12-6-11(3-4-13(12)22)26-17(28)16-14(23)5-10(21)7-25-16/h3-7,15H,8-9H2,1-2H3,(H2,24,27)(H,26,28)/t15-,20-/m1/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))
BDBM236574
PNG
(US9365589, 1a)
Show SMILES CC1(C)C(=N)N[C@]2(COC[C@H]2S1(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F
Show InChI InChI=1S/C20H20F2N4O4S/c1-19(2)18(23)26-20(10-30-9-16(20)31(19,28)29)13-7-12(4-5-14(13)22)25-17(27)15-6-3-11(21)8-24-15/h3-8,16H,9-10H2,1-2H3,(H2,23,26)(H,25,27)/t16-,20-/m1/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))
BDBM236575
PNG
(US9365589, 1b)
Show SMILES CC1(C)C(=N)N[C@]2(COC[C@H]2S1(=O)=O)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F
Show InChI InChI=1S/C20H20ClFN4O4S/c1-19(2)18(23)26-20(10-30-9-16(20)31(19,28)29)13-7-12(4-5-14(13)22)25-17(27)15-6-3-11(21)8-24-15/h3-8,16H,9-10H2,1-2H3,(H2,23,26)(H,25,27)/t16-,20-/m1/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))
BDBM236610
PNG
(US9365589, 8b)
Show SMILES C[C@]1(C(=N)N[C@]2(COC[C@H]2S1(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F)c1ccc(F)cc1
Show InChI InChI=1S/C25H21F3N4O4S/c1-24(14-2-4-15(26)5-3-14)23(29)32-25(13-36-12-21(25)37(24,34)35)18-10-17(7-8-19(18)28)31-22(33)20-9-6-16(27)11-30-20/h2-11,21H,12-13H2,1H3,(H2,29,32)(H,31,33)/t21-,24-,25-/m1/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))
BDBM236612
PNG
(US9365589, 10b)
Show SMILES C[C@H]1OC[C@@]2(NC(=N)C(C)(C)S(=O)(=O)[C@H]12)c1cc(NC(=O)c2ccc(F)cn2)ccc1F
Show InChI InChI=1S/C21H22F2N4O4S/c1-11-17-21(10-31-11,27-19(24)20(2,3)32(17,29)30)14-8-13(5-6-15(14)23)26-18(28)16-7-4-12(22)9-25-16/h4-9,11,17H,10H2,1-3H3,(H2,24,27)(H,26,28)/t11-,17-,21-/m1/s1
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2n/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))
BDBM236596
PNG
(US9365589, 1w)
Show SMILES CC1(C)C(=N)N[C@]2(COC[C@H]2S1(=O)=O)c1cc(NC(=O)c2cnc(OCC#C)cn2)ccc1F
Show InChI InChI=1S/C22H22FN5O5S/c1-4-7-33-18-10-25-16(9-26-18)19(29)27-13-5-6-15(23)14(8-13)22-12-32-11-17(22)34(30,31)21(2,3)20(24)28-22/h1,5-6,8-10,17H,7,11-12H2,2-3H3,(H2,24,28)(H,27,29)/t17-,22-/m1/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))
BDBM236597
PNG
(US9365589, 1x)
Show SMILES CC1(C)C(=N)N[C@]2(COC[C@H]2S1(=O)=O)c1cc(NC(=O)c2ccc(OCF)cn2)ccc1F
Show InChI InChI=1S/C21H22F2N4O5S/c1-20(2)19(24)27-21(10-31-9-17(21)33(20,29)30)14-7-12(3-5-15(14)23)26-18(28)16-6-4-13(8-25-16)32-11-22/h3-8,17H,9-11H2,1-2H3,(H2,24,27)(H,26,28)/t17-,21-/m1/s1
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Merck Sharp & Dohme Corp.

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


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


(Homo sapiens (Human))
BDBM236578
PNG
(US9365589, 1e)
Show SMILES Cn1ccc(n1)C(=O)Nc1ccc(F)c(c1)[C@]12COC[C@H]1S(=O)(=O)C(C)(C)C(=N)N2
Show InChI InChI=1S/C19H22FN5O4S/c1-18(2)17(21)23-19(10-29-9-15(19)30(18,27)28)12-8-11(4-5-13(12)20)22-16(26)14-6-7-25(3)24-14/h4-8,15H,9-10H2,1-3H3,(H2,21,23)(H,22,26)/t15-,19-/m1/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))
BDBM236575
PNG
(US9365589, 1b)
Show SMILES CC1(C)C(=N)N[C@]2(COC[C@H]2S1(=O)=O)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F
Show InChI InChI=1S/C20H20ClFN4O4S/c1-19(2)18(23)26-20(10-30-9-16(20)31(19,28)29)13-7-12(4-5-14(13)22)25-17(27)15-6-3-11(21)8-24-15/h3-8,16H,9-10H2,1-2H3,(H2,23,26)(H,25,27)/t16-,20-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
This assay monitors the increase of 620 nm fluorescence that resulted from BACE1 cleavage of an APPswedish APPswe mutant peptide FRET substrate (QSY7...


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


(Homo sapiens (Human))
BDBM236604
PNG
(US9365589, 4d | US9365589, 4g)
Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]12COC(CF)[C@H]1S(=O)(=O)C(C)(C)C(=N)N2
Show InChI InChI=1S/C22H24F2N4O5S/c1-21(2)20(25)28-22(11-33-17(9-23)18(22)34(21,30)31)14-8-12(4-6-15(14)24)27-19(29)16-7-5-13(32-3)10-26-16/h4-8,10,17-18H,9,11H2,1-3H3,(H2,25,28)(H,27,29)/t17?,18-,22-/m1/s1
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Merck Sharp & Dohme Corp.

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


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


(Homo sapiens (Human))
BDBM236576
PNG
(US9365589, 1c)
Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]12COC[C@H]1S(=O)(=O)C(C)(C)C(=N)N2
Show InChI InChI=1S/C21H23FN4O5S/c1-20(2)19(23)26-21(11-31-10-17(21)32(20,28)29)14-8-12(4-6-15(14)22)25-18(27)16-7-5-13(30-3)9-24-16/h4-9,17H,10-11H2,1-3H3,(H2,23,26)(H,25,27)/t17-,21-/m1/s1
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Merck Sharp & Dohme Corp.

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


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


(Homo sapiens (Human))
BDBM236580
PNG
(US9365589, 1g)
Show SMILES CC1(C)C(=N)N[C@]2(COC[C@H]2S1(=O)=O)c1cc(NC(=O)c2cn3ccsc3n2)ccc1F
Show InChI InChI=1S/C20H20FN5O4S2/c1-19(2)17(22)25-20(10-30-9-15(20)32(19,28)29)12-7-11(3-4-13(12)21)23-16(27)14-8-26-5-6-31-18(26)24-14/h3-8,15H,9-10H2,1-2H3,(H2,22,25)(H,23,27)/t15-,20-/m1/s1
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Merck Sharp & Dohme Corp.

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


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


(Homo sapiens (Human))
BDBM236597
PNG
(US9365589, 1x)
Show SMILES CC1(C)C(=N)N[C@]2(COC[C@H]2S1(=O)=O)c1cc(NC(=O)c2ccc(OCF)cn2)ccc1F
Show InChI InChI=1S/C21H22F2N4O5S/c1-20(2)19(24)27-21(10-31-9-17(21)33(20,29)30)14-7-12(3-5-15(14)23)26-18(28)16-6-4-13(8-25-16)32-11-22/h3-8,17H,9-11H2,1-2H3,(H2,24,27)(H,26,28)/t17-,21-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
This assay monitors the increase of 620 nm fluorescence that resulted from BACE1 cleavage of an APPswedish APPswe mutant peptide FRET substrate (QSY7...


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


(Homo sapiens (Human))
BDBM236600
PNG
(US9365589, 1aa)
Show SMILES CC1(C)C(=N)N[C@]2(COC[C@H]2S1(=O)=O)c1cc(NC(=O)c2ccc(cn2)C(F)(F)F)ccc1F
Show InChI InChI=1S/C21H20F4N4O4S/c1-19(2)18(26)29-20(10-33-9-16(20)34(19,31)32)13-7-12(4-5-14(13)22)28-17(30)15-6-3-11(8-27-15)21(23,24)25/h3-8,16H,9-10H2,1-2H3,(H2,26,29)(H,28,30)/t16-,20-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
This assay monitors the increase of 620 nm fluorescence that resulted from BACE1 cleavage of an APPswedish APPswe mutant peptide FRET substrate (QSY7...


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


(Homo sapiens (Human))
BDBM236584
PNG
(US9365589, 1k)
Show SMILES CC1(C)C(=N)N[C@]2(COC[C@H]2S1(=O)=O)c1cc(NC(=O)c2ncc(Cl)cc2F)ccc1F
Show InChI InChI=1S/C20H19ClF2N4O4S/c1-19(2)18(24)27-20(9-31-8-15(20)32(19,29)30)12-6-11(3-4-13(12)22)26-17(28)16-14(23)5-10(21)7-25-16/h3-7,15H,8-9H2,1-2H3,(H2,24,27)(H,26,28)/t15-,20-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
This assay monitors the increase of 620 nm fluorescence that resulted from BACE1 cleavage of an APPswedish APPswe mutant peptide FRET substrate (QSY7...


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


(Homo sapiens (Human))
BDBM236604
PNG
(US9365589, 4d | US9365589, 4g)
Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]12COC(CF)[C@H]1S(=O)(=O)C(C)(C)C(=N)N2
Show InChI InChI=1S/C22H24F2N4O5S/c1-21(2)20(25)28-22(11-33-17(9-23)18(22)34(21,30)31)14-8-12(4-6-15(14)24)27-19(29)16-7-5-13(32-3)10-26-16/h4-8,10,17-18H,9,11H2,1-3H3,(H2,25,28)(H,27,29)/t17?,18-,22-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
This assay monitors the increase of 620 nm fluorescence that resulted from BACE1 cleavage of an APPswedish APPswe mutant peptide FRET substrate (QSY7...


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


(Homo sapiens (Human))
BDBM236601
PNG
(US9365589, 4a | US9365589, 4b)
Show SMILES CC1(C)C(=N)N[C@]2(COC(CF)[C@H]2S1(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F
Show InChI InChI=1S/C21H21F3N4O4S/c1-20(2)19(25)28-21(10-32-16(8-22)17(21)33(20,30)31)13-7-12(4-5-14(13)24)27-18(29)15-6-3-11(23)9-26-15/h3-7,9,16-17H,8,10H2,1-2H3,(H2,25,28)(H,27,29)/t16?,17-,21-/m1/s1
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Merck Sharp & Dohme Corp.

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Assay Description
This assay monitors the increase of 620 nm fluorescence that resulted from BACE1 cleavage of an APPswedish APPswe mutant peptide FRET substrate (QSY7...


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


(Homo sapiens (Human))
BDBM236574
PNG
(US9365589, 1a)
Show SMILES CC1(C)C(=N)N[C@]2(COC[C@H]2S1(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F
Show InChI InChI=1S/C20H20F2N4O4S/c1-19(2)18(23)26-20(10-30-9-16(20)31(19,28)29)13-7-12(4-5-14(13)22)25-17(27)15-6-3-11(21)8-24-15/h3-8,16H,9-10H2,1-2H3,(H2,23,26)(H,25,27)/t16-,20-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
This assay monitors the increase of 620 nm fluorescence that resulted from BACE1 cleavage of an APPswedish APPswe mutant peptide FRET substrate (QSY7...


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


(Homo sapiens (Human))
BDBM236592
PNG
(US9365589, 1s)
Show SMILES COc1cnc(C(=O)Nc2ccc(F)c(c2)[C@]23COC[C@H]2S(=O)(=O)C(C)(C)C(=N)N3)c(C)c1
Show InChI InChI=1S/C22H25FN4O5S/c1-12-7-14(31-4)9-25-18(12)19(28)26-13-5-6-16(23)15(8-13)22-11-32-10-17(22)33(29,30)21(2,3)20(24)27-22/h5-9,17H,10-11H2,1-4H3,(H2,24,27)(H,26,28)/t17-,22-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
This assay monitors the increase of 620 nm fluorescence that resulted from BACE1 cleavage of an APPswedish APPswe mutant peptide FRET substrate (QSY7...


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


(Homo sapiens (Human))
BDBM236605
PNG
(US9365589, 4e | US9365589, 4h)
Show SMILES COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]12COC(CF)[C@H]1S(=O)(=O)C(C)(C)C(=N)N2
Show InChI InChI=1S/C21H23F2N5O5S/c1-20(2)19(24)28-21(10-33-15(7-22)17(21)34(20,30)31)12-6-11(4-5-13(12)23)27-18(29)14-8-26-16(32-3)9-25-14/h4-6,8-9,15,17H,7,10H2,1-3H3,(H2,24,28)(H,27,29)/t15?,17-,21-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
This assay monitors the increase of 620 nm fluorescence that resulted from BACE1 cleavage of an APPswedish APPswe mutant peptide FRET substrate (QSY7...


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


(Homo sapiens (Human))
BDBM236611
PNG
(US9365589, 10a)
Show SMILES C[C@@H]1OC[C@@]2(NC(=N)C(C)(C)S(=O)(=O)[C@H]12)c1cc(NC(=O)c2ccc(F)cn2)ccc1F
Show InChI InChI=1S/C21H22F2N4O4S/c1-11-17-21(10-31-11,27-19(24)20(2,3)32(17,29)30)14-8-13(5-6-15(14)23)26-18(28)16-7-4-12(22)9-25-16/h4-9,11,17H,10H2,1-3H3,(H2,24,27)(H,26,28)/t11-,17+,21+/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 2 (BACE2)


(Homo sapiens (Human))
BDBM236577
PNG
(US9365589, 1d)
Show SMILES COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]12COC[C@H]1S(=O)(=O)C(C)(C)C(=N)N2
Show InChI InChI=1S/C20H22FN5O5S/c1-19(2)18(22)26-20(10-31-9-15(20)32(19,28)29)12-6-11(4-5-13(12)21)25-17(27)14-7-24-16(30-3)8-23-14/h4-8,15H,9-10H2,1-3H3,(H2,22,26)(H,25,27)/t15-,20-/m1/s1
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Merck Sharp & Dohme Corp.

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


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


(Homo sapiens (Human))
BDBM236586
PNG
(US9365589, 1m)
Show SMILES COCC(=O)Nc1ccc(F)c(c1)[C@]12COC[C@H]1S(=O)(=O)C(C)(C)C(=N)N2
Show InChI InChI=1S/C17H22FN3O5S/c1-16(2)15(19)21-17(9-26-7-13(17)27(16,23)24)11-6-10(4-5-12(11)18)20-14(22)8-25-3/h4-6,13H,7-9H2,1-3H3,(H2,19,21)(H,20,22)/t13-,17-/m1/s1
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Merck Sharp & Dohme Corp.

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


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


(Homo sapiens (Human))
BDBM236576
PNG
(US9365589, 1c)
Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]12COC[C@H]1S(=O)(=O)C(C)(C)C(=N)N2
Show InChI InChI=1S/C21H23FN4O5S/c1-20(2)19(23)26-21(11-31-10-17(21)32(20,28)29)14-8-12(4-6-15(14)22)25-18(27)16-7-5-13(30-3)9-24-16/h4-9,17H,10-11H2,1-3H3,(H2,23,26)(H,25,27)/t17-,21-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
This assay monitors the increase of 620 nm fluorescence that resulted from BACE1 cleavage of an APPswedish APPswe mutant peptide FRET substrate (QSY7...


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


(Homo sapiens (Human))
BDBM236593
PNG
(US9365589, 1t)
Show SMILES COc1cnc(C(=O)Nc2ccc(F)c(c2)[C@]23COC[C@H]2S(=O)(=O)C(C)(C)C(=N)N3)c(C)n1
Show InChI InChI=1S/C21H24FN5O5S/c1-11-17(24-8-16(25-11)31-4)18(28)26-12-5-6-14(22)13(7-12)21-10-32-9-15(21)33(29,30)20(2,3)19(23)27-21/h5-8,15H,9-10H2,1-4H3,(H2,23,27)(H,26,28)/t15-,21-/m1/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 2 (BACE2)


(Homo sapiens (Human))
BDBM236613
PNG
(US9365589, 13a)
Show SMILES C[C@@]1(C2CC2)C(=N)N[C@]2(COC[C@H]2S1(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F
Show InChI InChI=1S/C22H22F2N4O4S/c1-21(12-2-3-12)20(25)28-22(11-32-10-18(22)33(21,30)31)15-8-14(5-6-16(15)24)27-19(29)17-7-4-13(23)9-26-17/h4-9,12,18H,2-3,10-11H2,1H3,(H2,25,28)(H,27,29)/t18-,21-,22-/m1/s1
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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...


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


(Homo sapiens (Human))
BDBM236585
PNG
(US9365589, 1l)
Show SMILES Cc1nc(C(=O)Nc2ccc(F)c(c2)[C@]23COC[C@H]2S(=O)(=O)C(C)(C)C(=N)N3)c(C)o1
Show InChI InChI=1S/C20H23FN4O5S/c1-10-16(23-11(2)30-10)17(26)24-12-5-6-14(21)13(7-12)20-9-29-8-15(20)31(27,28)19(3,4)18(22)25-20/h5-7,15H,8-9H2,1-4H3,(H2,22,25)(H,24,26)/t15-,20-/m1/s1
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6n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
This assay monitors the increase of 620 nm fluorescence that resulted from BACE1 cleavage of an APPswedish APPswe mutant peptide FRET substrate (QSY7...


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


(Homo sapiens (Human))
BDBM236577
PNG
(US9365589, 1d)
Show SMILES COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]12COC[C@H]1S(=O)(=O)C(C)(C)C(=N)N2
Show InChI InChI=1S/C20H22FN5O5S/c1-19(2)18(22)26-20(10-31-9-15(20)32(19,28)29)12-6-11(4-5-13(12)21)25-17(27)14-7-24-16(30-3)8-23-14/h4-8,15H,9-10H2,1-3H3,(H2,22,26)(H,25,27)/t15-,20-/m1/s1
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6.20n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
This assay monitors the increase of 620 nm fluorescence that resulted from BACE1 cleavage of an APPswedish APPswe mutant peptide FRET substrate (QSY7...


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


(Homo sapiens (Human))
BDBM236612
PNG
(US9365589, 10b)
Show SMILES C[C@H]1OC[C@@]2(NC(=N)C(C)(C)S(=O)(=O)[C@H]12)c1cc(NC(=O)c2ccc(F)cn2)ccc1F
Show InChI InChI=1S/C21H22F2N4O4S/c1-11-17-21(10-31-11,27-19(24)20(2,3)32(17,29)30)14-8-13(5-6-15(14)23)26-18(28)16-7-4-12(22)9-25-16/h4-9,11,17H,10H2,1-3H3,(H2,24,27)(H,26,28)/t11-,17-,21-/m1/s1
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7n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
This assay monitors the increase of 620 nm fluorescence that resulted from BACE1 cleavage of an APPswedish APPswe mutant peptide FRET substrate (QSY7...


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


(Homo sapiens (Human))
BDBM236598
PNG
(US9365589, 1y)
Show SMILES CC1(C)C(=N)N[C@]2(COC[C@H]2S1(=O)=O)c1cc(NC(=O)c2ccc(OCC#C)cn2)ccc1F
Show InChI InChI=1S/C23H23FN4O5S/c1-4-9-33-15-6-8-18(26-11-15)20(29)27-14-5-7-17(24)16(10-14)23-13-32-12-19(23)34(30,31)22(2,3)21(25)28-23/h1,5-8,10-11,19H,9,12-13H2,2-3H3,(H2,25,28)(H,27,29)/t19-,23-/m1/s1
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7n/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))
BDBM236581
PNG
(US9365589, 1h)
Show SMILES CC1(C)C(=N)N[C@]2(COC[C@H]2S1(=O)=O)c1cc(NC(=O)c2cnc(OCCF)cn2)ccc1F
Show InChI InChI=1S/C21H23F2N5O5S/c1-20(2)19(24)28-21(11-32-10-16(21)34(20,30)31)13-7-12(3-4-14(13)23)27-18(29)15-8-26-17(9-25-15)33-6-5-22/h3-4,7-9,16H,5-6,10-11H2,1-2H3,(H2,24,28)(H,27,29)/t16-,21-/m1/s1
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7n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
This assay monitors the increase of 620 nm fluorescence that resulted from BACE1 cleavage of an APPswedish APPswe mutant peptide FRET substrate (QSY7...


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


(Homo sapiens (Human))
BDBM236600
PNG
(US9365589, 1aa)
Show SMILES CC1(C)C(=N)N[C@]2(COC[C@H]2S1(=O)=O)c1cc(NC(=O)c2ccc(cn2)C(F)(F)F)ccc1F
Show InChI InChI=1S/C21H20F4N4O4S/c1-19(2)18(26)29-20(10-33-9-16(20)34(19,31)32)13-7-12(4-5-14(13)22)28-17(30)15-6-3-11(8-27-15)21(23,24)25/h3-8,16H,9-10H2,1-2H3,(H2,26,29)(H,28,30)/t16-,20-/m1/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...


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


(Homo sapiens (Human))
BDBM236595
PNG
(US9365589, 1v)
Show SMILES CC1(C)C(=N)N[C@]2(COC[C@H]2S1(=O)=O)c1cc(NC(=O)c2cnsn2)ccc1F
Show InChI InChI=1S/C17H18FN5O4S2/c1-16(2)15(19)22-17(8-27-7-13(17)29(16,25)26)10-5-9(3-4-11(10)18)21-14(24)12-6-20-28-23-12/h3-6,13H,7-8H2,1-2H3,(H2,19,22)(H,21,24)/t13-,17-/m1/s1
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8n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
This assay monitors the increase of 620 nm fluorescence that resulted from BACE1 cleavage of an APPswedish APPswe mutant peptide FRET substrate (QSY7...


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


(Homo sapiens (Human))
BDBM236611
PNG
(US9365589, 10a)
Show SMILES C[C@@H]1OC[C@@]2(NC(=N)C(C)(C)S(=O)(=O)[C@H]12)c1cc(NC(=O)c2ccc(F)cn2)ccc1F
Show InChI InChI=1S/C21H22F2N4O4S/c1-11-17-21(10-31-11,27-19(24)20(2,3)32(17,29)30)14-8-13(5-6-15(14)23)26-18(28)16-7-4-12(22)9-25-16/h4-9,11,17H,10H2,1-3H3,(H2,24,27)(H,26,28)/t11-,17+,21+/m0/s1
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9n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
This assay monitors the increase of 620 nm fluorescence that resulted from BACE1 cleavage of an APPswedish APPswe mutant peptide FRET substrate (QSY7...


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


(Homo sapiens (Human))
BDBM236609
PNG
(US9365589, 8a)
Show SMILES C[C@@]1(C(=N)N[C@]2(COC[C@H]2S1(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F)c1ccc(F)cc1
Show InChI InChI=1S/C25H21F3N4O4S/c1-24(14-2-4-15(26)5-3-14)23(29)32-25(13-36-12-21(25)37(24,34)35)18-10-17(7-8-19(18)28)31-22(33)20-9-6-16(27)11-30-20/h2-11,21H,12-13H2,1H3,(H2,29,32)(H,31,33)/t21-,24+,25-/m1/s1
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9n/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))
BDBM236593
PNG
(US9365589, 1t)
Show SMILES COc1cnc(C(=O)Nc2ccc(F)c(c2)[C@]23COC[C@H]2S(=O)(=O)C(C)(C)C(=N)N3)c(C)n1
Show InChI InChI=1S/C21H24FN5O5S/c1-11-17(24-8-16(25-11)31-4)18(28)26-12-5-6-14(22)13(7-12)21-10-32-9-15(21)33(29,30)20(2,3)19(23)27-21/h5-8,15H,9-10H2,1-4H3,(H2,23,27)(H,26,28)/t15-,21-/m1/s1
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10n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
This assay monitors the increase of 620 nm fluorescence that resulted from BACE1 cleavage of an APPswedish APPswe mutant peptide FRET substrate (QSY7...


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


(Homo sapiens (Human))
BDBM236605
PNG
(US9365589, 4e | US9365589, 4h)
Show SMILES COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]12COC(CF)[C@H]1S(=O)(=O)C(C)(C)C(=N)N2
Show InChI InChI=1S/C21H23F2N5O5S/c1-20(2)19(24)28-21(10-33-15(7-22)17(21)34(20,30)31)12-6-11(4-5-13(12)23)27-18(29)14-8-26-16(32-3)9-25-14/h4-6,8-9,15,17H,7,10H2,1-3H3,(H2,24,28)(H,27,29)/t15?,17-,21-/m1/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 2 (BACE2)


(Homo sapiens (Human))
BDBM236614
PNG
(US9365589, 13b)
Show SMILES C[C@]1(C2CC2)C(=N)N[C@]2(COC[C@H]2S1(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F
Show InChI InChI=1S/C22H22F2N4O4S/c1-21(12-2-3-12)20(25)28-22(11-32-10-18(22)33(21,30)31)15-8-14(5-6-16(15)24)27-19(29)17-7-4-13(23)9-26-17/h4-9,12,18H,2-3,10-11H2,1H3,(H2,25,28)(H,27,29)/t18-,21+,22-/m1/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 2 (BACE2)


(Homo sapiens (Human))
BDBM236603
PNG
(US9365589, 4c | US9365589, 4f)
Show SMILES CC1(C)C(=N)N[C@]2(COC(CF)[C@H]2S1(=O)=O)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F
Show InChI InChI=1S/C21H21ClF2N4O4S/c1-20(2)19(25)28-21(10-32-16(8-23)17(21)33(20,30)31)13-7-12(4-5-14(13)24)27-18(29)15-6-3-11(22)9-26-15/h3-7,9,16-17H,8,10H2,1-2H3,(H2,25,28)(H,27,29)/t16?,17-,21-/m1/s1
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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...


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


(Homo sapiens (Human))
BDBM236590
PNG
(US9365589, 1q)
Show SMILES CC1(C)C(=N)N[C@]2(COC[C@H]2S1(=O)=O)c1cc(NC(=O)c2cnc(cn2)C(F)(F)F)ccc1F
Show InChI InChI=1S/C20H19F4N5O4S/c1-18(2)17(25)29-19(9-33-8-15(19)34(18,31)32)11-5-10(3-4-12(11)21)28-16(30)13-6-27-14(7-26-13)20(22,23)24/h3-7,15H,8-9H2,1-2H3,(H2,25,29)(H,28,30)/t15-,19-/m1/s1
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13n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
This assay monitors the increase of 620 nm fluorescence that resulted from BACE1 cleavage of an APPswedish APPswe mutant peptide FRET substrate (QSY7...


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


(Homo sapiens (Human))
BDBM236578
PNG
(US9365589, 1e)
Show SMILES Cn1ccc(n1)C(=O)Nc1ccc(F)c(c1)[C@]12COC[C@H]1S(=O)(=O)C(C)(C)C(=N)N2
Show InChI InChI=1S/C19H22FN5O4S/c1-18(2)17(21)23-19(10-29-9-15(19)30(18,27)28)12-8-11(4-5-13(12)20)22-16(26)14-6-7-25(3)24-14/h4-8,15H,9-10H2,1-3H3,(H2,21,23)(H,22,26)/t15-,19-/m1/s1
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13n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
This assay monitors the increase of 620 nm fluorescence that resulted from BACE1 cleavage of an APPswedish APPswe mutant peptide FRET substrate (QSY7...


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


(Homo sapiens (Human))
BDBM236589
PNG
(US9365589, 1p)
Show SMILES CO[C@H](C)C(=O)Nc1ccc(F)c(c1)[C@]12COC[C@H]1S(=O)(=O)C(C)(C)C(=N)N2
Show InChI InChI=1S/C18H24FN3O5S/c1-10(26-4)15(23)21-11-5-6-13(19)12(7-11)18-9-27-8-14(18)28(24,25)17(2,3)16(20)22-18/h5-7,10,14H,8-9H2,1-4H3,(H2,20,22)(H,21,23)/t10-,14-,18-/m1/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 2 (BACE2)


(Homo sapiens (Human))
BDBM236581
PNG
(US9365589, 1h)
Show SMILES CC1(C)C(=N)N[C@]2(COC[C@H]2S1(=O)=O)c1cc(NC(=O)c2cnc(OCCF)cn2)ccc1F
Show InChI InChI=1S/C21H23F2N5O5S/c1-20(2)19(24)28-21(11-32-10-16(21)34(20,30)31)13-7-12(3-4-14(13)23)27-18(29)15-8-26-17(9-25-15)33-6-5-22/h3-4,7-9,16H,5-6,10-11H2,1-2H3,(H2,24,28)(H,27,29)/t16-,21-/m1/s1
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18n/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))
BDBM236601
PNG
(US9365589, 4a | US9365589, 4b)
Show SMILES CC1(C)C(=N)N[C@]2(COC(CF)[C@H]2S1(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F
Show InChI InChI=1S/C21H21F3N4O4S/c1-20(2)19(25)28-21(10-32-16(8-22)17(21)33(20,30)31)13-7-12(4-5-14(13)24)27-18(29)15-6-3-11(23)9-26-15/h3-7,9,16-17H,8,10H2,1-2H3,(H2,25,28)(H,27,29)/t16?,17-,21-/m1/s1
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18n/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))
BDBM236579
PNG
(US9365589, 1f)
Show SMILES Cc1cc(no1)C(=O)Nc1ccc(F)c(c1)[C@]12COC[C@H]1S(=O)(=O)C(C)(C)C(=N)N2
Show InChI InChI=1S/C19H21FN4O5S/c1-10-6-14(24-29-10)16(25)22-11-4-5-13(20)12(7-11)19-9-28-8-15(19)30(26,27)18(2,3)17(21)23-19/h4-7,15H,8-9H2,1-3H3,(H2,21,23)(H,22,25)/t15-,19-/m1/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 1


(Homo sapiens (Human))
BDBM236580
PNG
(US9365589, 1g)
Show SMILES CC1(C)C(=N)N[C@]2(COC[C@H]2S1(=O)=O)c1cc(NC(=O)c2cn3ccsc3n2)ccc1F
Show InChI InChI=1S/C20H20FN5O4S2/c1-19(2)17(22)25-20(10-30-9-15(20)32(19,28)29)12-7-11(3-4-13(12)21)23-16(27)14-8-26-5-6-31-18(26)24-14/h3-8,15H,9-10H2,1-2H3,(H2,22,25)(H,23,27)/t15-,20-/m1/s1
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25n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
This assay monitors the increase of 620 nm fluorescence that resulted from BACE1 cleavage of an APPswedish APPswe mutant peptide FRET substrate (QSY7...


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


(Homo sapiens (Human))
BDBM236603
PNG
(US9365589, 4c | US9365589, 4f)
Show SMILES CC1(C)C(=N)N[C@]2(COC(CF)[C@H]2S1(=O)=O)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F
Show InChI InChI=1S/C21H21ClF2N4O4S/c1-20(2)19(25)28-21(10-32-16(8-23)17(21)33(20,30)31)13-7-12(4-5-14(13)24)27-18(29)15-6-3-11(22)9-26-15/h3-7,9,16-17H,8,10H2,1-2H3,(H2,25,28)(H,27,29)/t16?,17-,21-/m1/s1
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32n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
This assay monitors the increase of 620 nm fluorescence that resulted from BACE1 cleavage of an APPswedish APPswe mutant peptide FRET substrate (QSY7...


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


(Homo sapiens (Human))
BDBM236587
PNG
(US9365589, 1n)
Show SMILES CC1(C)C(=N)N[C@]2(COC[C@H]2S1(=O)=O)c1cc(NC(=O)C(F)F)ccc1F
Show InChI InChI=1S/C16H18F3N3O4S/c1-15(2)14(20)22-16(7-26-6-11(16)27(15,24)25)9-5-8(3-4-10(9)17)21-13(23)12(18)19/h3-5,11-12H,6-7H2,1-2H3,(H2,20,22)(H,21,23)/t11-,16-/m1/s1
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33n/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))
BDBM236590
PNG
(US9365589, 1q)
Show SMILES CC1(C)C(=N)N[C@]2(COC[C@H]2S1(=O)=O)c1cc(NC(=O)c2cnc(cn2)C(F)(F)F)ccc1F
Show InChI InChI=1S/C20H19F4N5O4S/c1-18(2)17(25)29-19(9-33-8-15(19)34(18,31)32)11-5-10(3-4-12(11)21)28-16(30)13-6-27-14(7-26-13)20(22,23)24/h3-7,15H,8-9H2,1-2H3,(H2,25,29)(H,28,30)/t15-,19-/m1/s1
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35n/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))
BDBM236613
PNG
(US9365589, 13a)
Show SMILES C[C@@]1(C2CC2)C(=N)N[C@]2(COC[C@H]2S1(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F
Show InChI InChI=1S/C22H22F2N4O4S/c1-21(12-2-3-12)20(25)28-22(11-32-10-18(22)33(21,30)31)15-8-14(5-6-16(15)24)27-19(29)17-7-4-13(23)9-26-17/h4-9,12,18H,2-3,10-11H2,1H3,(H2,25,28)(H,27,29)/t18-,21-,22-/m1/s1
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39n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
This assay monitors the increase of 620 nm fluorescence that resulted from BACE1 cleavage of an APPswedish APPswe mutant peptide FRET substrate (QSY7...


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


(Homo sapiens (Human))
BDBM236588
PNG
(US9365589, 1o)
Show SMILES CO[C@@H](C)C(=O)Nc1ccc(F)c(c1)[C@]12COC[C@H]1S(=O)(=O)C(C)(C)C(=N)N2
Show InChI InChI=1S/C18H24FN3O5S/c1-10(26-4)15(23)21-11-5-6-13(19)12(7-11)18-9-27-8-14(18)28(24,25)17(2,3)16(20)22-18/h5-7,10,14H,8-9H2,1-4H3,(H2,20,22)(H,21,23)/t10-,14+,18+/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...


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


(Homo sapiens (Human))
BDBM236601
PNG
(US9365589, 4a | US9365589, 4b)
Show SMILES CC1(C)C(=N)N[C@]2(COC(CF)[C@H]2S1(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F
Show InChI InChI=1S/C21H21F3N4O4S/c1-20(2)19(25)28-21(10-32-16(8-22)17(21)33(20,30)31)13-7-12(4-5-14(13)24)27-18(29)15-6-3-11(23)9-26-15/h3-7,9,16-17H,8,10H2,1-2H3,(H2,25,28)(H,27,29)/t16?,17-,21-/m1/s1
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42n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
This assay monitors the increase of 620 nm fluorescence that resulted from BACE1 cleavage of an APPswedish APPswe mutant peptide FRET substrate (QSY7...


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


(Homo sapiens (Human))
BDBM236614
PNG
(US9365589, 13b)
Show SMILES C[C@]1(C2CC2)C(=N)N[C@]2(COC[C@H]2S1(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F
Show InChI InChI=1S/C22H22F2N4O4S/c1-21(12-2-3-12)20(25)28-22(11-32-10-18(22)33(21,30)31)15-8-14(5-6-16(15)24)27-19(29)17-7-4-13(23)9-26-17/h4-9,12,18H,2-3,10-11H2,1H3,(H2,25,28)(H,27,29)/t18-,21+,22-/m1/s1
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62n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
This assay monitors the increase of 620 nm fluorescence that resulted from BACE1 cleavage of an APPswedish APPswe mutant peptide FRET substrate (QSY7...


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


(Homo sapiens (Human))
BDBM236586
PNG
(US9365589, 1m)
Show SMILES COCC(=O)Nc1ccc(F)c(c1)[C@]12COC[C@H]1S(=O)(=O)C(C)(C)C(=N)N2
Show InChI InChI=1S/C17H22FN3O5S/c1-16(2)15(19)21-17(9-26-7-13(17)27(16,23)24)11-6-10(4-5-12(11)18)20-14(22)8-25-3/h4-6,13H,7-9H2,1-3H3,(H2,19,21)(H,20,22)/t13-,17-/m1/s1
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74n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
This assay monitors the increase of 620 nm fluorescence that resulted from BACE1 cleavage of an APPswedish APPswe mutant peptide FRET substrate (QSY7...


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


(Homo sapiens (Human))
BDBM236609
PNG
(US9365589, 8a)
Show SMILES C[C@@]1(C(=N)N[C@]2(COC[C@H]2S1(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F)c1ccc(F)cc1
Show InChI InChI=1S/C25H21F3N4O4S/c1-24(14-2-4-15(26)5-3-14)23(29)32-25(13-36-12-21(25)37(24,34)35)18-10-17(7-8-19(18)28)31-22(33)20-9-6-16(27)11-30-20/h2-11,21H,12-13H2,1H3,(H2,29,32)(H,31,33)/t21-,24+,25-/m1/s1
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84n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
This assay monitors the increase of 620 nm fluorescence that resulted from BACE1 cleavage of an APPswedish APPswe mutant peptide FRET substrate (QSY7...


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


(Homo sapiens (Human))
BDBM236582
PNG
(US9365589, 1i)
Show SMILES Cc1cc(on1)C(=O)Nc1ccc(F)c(c1)[C@]12COC[C@H]1S(=O)(=O)C(C)(C)C(=N)N2
Show InChI InChI=1S/C19H21FN4O5S/c1-10-6-14(29-24-10)16(25)22-11-4-5-13(20)12(7-11)19-9-28-8-15(19)30(26,27)18(2,3)17(21)23-19/h4-7,15H,8-9H2,1-3H3,(H2,21,23)(H,22,25)/t15-,19-/m1/s1
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93n/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))
BDBM236604
PNG
(US9365589, 4d | US9365589, 4g)
Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]12COC(CF)[C@H]1S(=O)(=O)C(C)(C)C(=N)N2
Show InChI InChI=1S/C22H24F2N4O5S/c1-21(2)20(25)28-22(11-33-17(9-23)18(22)34(21,30)31)14-8-12(4-6-15(14)24)27-19(29)16-7-5-13(32-3)10-26-16/h4-8,10,17-18H,9,11H2,1-3H3,(H2,25,28)(H,27,29)/t17?,18-,22-/m1/s1
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96n/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))
BDBM236604
PNG
(US9365589, 4d | US9365589, 4g)
Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]12COC(CF)[C@H]1S(=O)(=O)C(C)(C)C(=N)N2
Show InChI InChI=1S/C22H24F2N4O5S/c1-21(2)20(25)28-22(11-33-17(9-23)18(22)34(21,30)31)14-8-12(4-6-15(14)24)27-19(29)16-7-5-13(32-3)10-26-16/h4-8,10,17-18H,9,11H2,1-3H3,(H2,25,28)(H,27,29)/t17?,18-,22-/m1/s1
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101n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
This assay monitors the increase of 620 nm fluorescence that resulted from BACE1 cleavage of an APPswedish APPswe mutant peptide FRET substrate (QSY7...


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


(Homo sapiens (Human))
BDBM236589
PNG
(US9365589, 1p)
Show SMILES CO[C@H](C)C(=O)Nc1ccc(F)c(c1)[C@]12COC[C@H]1S(=O)(=O)C(C)(C)C(=N)N2
Show InChI InChI=1S/C18H24FN3O5S/c1-10(26-4)15(23)21-11-5-6-13(19)12(7-11)18-9-27-8-14(18)28(24,25)17(2,3)16(20)22-18/h5-7,10,14H,8-9H2,1-4H3,(H2,20,22)(H,21,23)/t10-,14-,18-/m1/s1
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151n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
This assay monitors the increase of 620 nm fluorescence that resulted from BACE1 cleavage of an APPswedish APPswe mutant peptide FRET substrate (QSY7...


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


(Homo sapiens (Human))
BDBM236579
PNG
(US9365589, 1f)
Show SMILES Cc1cc(no1)C(=O)Nc1ccc(F)c(c1)[C@]12COC[C@H]1S(=O)(=O)C(C)(C)C(=N)N2
Show InChI InChI=1S/C19H21FN4O5S/c1-10-6-14(24-29-10)16(25)22-11-4-5-13(20)12(7-11)19-9-28-8-15(19)30(26,27)18(2,3)17(21)23-19/h4-7,15H,8-9H2,1-3H3,(H2,21,23)(H,22,25)/t15-,19-/m1/s1
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201n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
This assay monitors the increase of 620 nm fluorescence that resulted from BACE1 cleavage of an APPswedish APPswe mutant peptide FRET substrate (QSY7...


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


(Homo sapiens (Human))
BDBM236605
PNG
(US9365589, 4e | US9365589, 4h)
Show SMILES COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]12COC(CF)[C@H]1S(=O)(=O)C(C)(C)C(=N)N2
Show InChI InChI=1S/C21H23F2N5O5S/c1-20(2)19(24)28-21(10-33-15(7-22)17(21)34(20,30)31)12-6-11(4-5-13(12)23)27-18(29)14-8-26-16(32-3)9-25-14/h4-6,8-9,15,17H,7,10H2,1-3H3,(H2,24,28)(H,27,29)/t15?,17-,21-/m1/s1
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204n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
This assay monitors the increase of 620 nm fluorescence that resulted from BACE1 cleavage of an APPswedish APPswe mutant peptide FRET substrate (QSY7...


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


(Homo sapiens (Human))
BDBM236588
PNG
(US9365589, 1o)
Show SMILES CO[C@@H](C)C(=O)Nc1ccc(F)c(c1)[C@]12COC[C@H]1S(=O)(=O)C(C)(C)C(=N)N2
Show InChI InChI=1S/C18H24FN3O5S/c1-10(26-4)15(23)21-11-5-6-13(19)12(7-11)18-9-27-8-14(18)28(24,25)17(2,3)16(20)22-18/h5-7,10,14H,8-9H2,1-4H3,(H2,20,22)(H,21,23)/t10-,14+,18+/m0/s1
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213n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
This assay monitors the increase of 620 nm fluorescence that resulted from BACE1 cleavage of an APPswedish APPswe mutant peptide FRET substrate (QSY7...


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


(Homo sapiens (Human))
BDBM236587
PNG
(US9365589, 1n)
Show SMILES CC1(C)C(=N)N[C@]2(COC[C@H]2S1(=O)=O)c1cc(NC(=O)C(F)F)ccc1F
Show InChI InChI=1S/C16H18F3N3O4S/c1-15(2)14(20)22-16(7-26-6-11(16)27(15,24)25)9-5-8(3-4-10(9)17)21-13(23)12(18)19/h3-5,11-12H,6-7H2,1-2H3,(H2,20,22)(H,21,23)/t11-,16-/m1/s1
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258n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
This assay monitors the increase of 620 nm fluorescence that resulted from BACE1 cleavage of an APPswedish APPswe mutant peptide FRET substrate (QSY7...


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


(Homo sapiens (Human))
BDBM236583
PNG
(US9365589, 1j)
Show SMILES Cn1cc(C(=O)Nc2ccc(F)c(c2)[C@]23COC[C@H]2S(=O)(=O)C(C)(C)C(=N)N3)c(n1)C(F)(F)F
Show InChI InChI=1S/C20H21F4N5O4S/c1-18(2)17(25)27-19(9-33-8-14(19)34(18,31)32)12-6-10(4-5-13(12)21)26-16(30)11-7-29(3)28-15(11)20(22,23)24/h4-7,14H,8-9H2,1-3H3,(H2,25,27)(H,26,30)/t14-,19-/m1/s1
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309n/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))
BDBM236605
PNG
(US9365589, 4e | US9365589, 4h)
Show SMILES COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]12COC(CF)[C@H]1S(=O)(=O)C(C)(C)C(=N)N2
Show InChI InChI=1S/C21H23F2N5O5S/c1-20(2)19(24)28-21(10-33-15(7-22)17(21)34(20,30)31)12-6-11(4-5-13(12)23)27-18(29)14-8-26-16(32-3)9-25-14/h4-6,8-9,15,17H,7,10H2,1-3H3,(H2,24,28)(H,27,29)/t15?,17-,21-/m1/s1
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476n/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))
BDBM236582
PNG
(US9365589, 1i)
Show SMILES Cc1cc(on1)C(=O)Nc1ccc(F)c(c1)[C@]12COC[C@H]1S(=O)(=O)C(C)(C)C(=N)N2
Show InChI InChI=1S/C19H21FN4O5S/c1-10-6-14(29-24-10)16(25)22-11-4-5-13(20)12(7-11)19-9-28-8-15(19)30(26,27)18(2,3)17(21)23-19/h4-7,15H,8-9H2,1-3H3,(H2,21,23)(H,22,25)/t15-,19-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
559n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
This assay monitors the increase of 620 nm fluorescence that resulted from BACE1 cleavage of an APPswedish APPswe mutant peptide FRET substrate (QSY7...


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


(Homo sapiens (Human))
BDBM236583
PNG
(US9365589, 1j)
Show SMILES Cn1cc(C(=O)Nc2ccc(F)c(c2)[C@]23COC[C@H]2S(=O)(=O)C(C)(C)C(=N)N3)c(n1)C(F)(F)F
Show InChI InChI=1S/C20H21F4N5O4S/c1-18(2)17(25)27-19(9-33-8-14(19)34(18,31)32)12-6-10(4-5-13(12)21)26-16(30)11-7-29(3)28-15(11)20(22,23)24/h4-7,14H,8-9H2,1-3H3,(H2,25,27)(H,26,30)/t14-,19-/m1/s1
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MMDB

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UniProtKB/SwissProt

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GoogleScholar
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PC sid
UniChem
US Patent
1.10E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
This assay monitors the increase of 620 nm fluorescence that resulted from BACE1 cleavage of an APPswedish APPswe mutant peptide FRET substrate (QSY7...


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