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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 |r|
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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 1 -52.2n/an/an/an/an/a5.030



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...

US Patent US9365589 (2016)


BindingDB Entry DOI: 10.7270/Q2QZ28V2
More data for this
Ligand-Target Pair
Beta-secretase 2


(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 |r|
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/a5.0n/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 US9365589 (2016)


BindingDB Entry DOI: 10.7270/Q2QZ28V2
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 |r|
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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 1 -52.2n/an/an/an/an/a5.030



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...

US Patent US9365589 (2016)


BindingDB Entry DOI: 10.7270/Q2QZ28V2
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 |r|
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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 1 -52.2n/an/an/an/an/a5.030



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...

US Patent US9365589 (2016)


BindingDB Entry DOI: 10.7270/Q2QZ28V2
More data for this
Ligand-Target Pair
Beta-secretase 2


(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 |r|
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/a5.0n/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 US9365589 (2016)


BindingDB Entry DOI: 10.7270/Q2QZ28V2
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 |r|
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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 1 -52.2n/an/an/an/an/a5.030



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...

US Patent US9365589 (2016)


BindingDB Entry DOI: 10.7270/Q2QZ28V2
More data for this
Ligand-Target Pair
Beta-secretase 2


(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 |r|
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/a5.0n/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 US9365589 (2016)


BindingDB Entry DOI: 10.7270/Q2QZ28V2
More data for this
Ligand-Target Pair
Beta-secretase 2


(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 |r|
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/a5.0n/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 US9365589 (2016)


BindingDB Entry DOI: 10.7270/Q2QZ28V2
More data for this
Ligand-Target Pair
Beta-secretase 2


(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 |r|
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/a5.0n/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 US9365589 (2016)


BindingDB Entry DOI: 10.7270/Q2QZ28V2
More data for this
Ligand-Target Pair
Beta-secretase 2


(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 |r|
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/a5.0n/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 US9365589 (2016)


BindingDB Entry DOI: 10.7270/Q2QZ28V2
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 |r|
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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 1 -52.2n/an/an/an/an/a5.030



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...

US Patent US9365589 (2016)


BindingDB Entry DOI: 10.7270/Q2QZ28V2
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 |r|
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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 1 -52.2n/an/an/an/an/a5.030



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...

US Patent US9365589 (2016)


BindingDB Entry DOI: 10.7270/Q2QZ28V2
More data for this
Ligand-Target Pair
Beta-secretase 2


(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 |r|
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/a5.0n/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 US9365589 (2016)


BindingDB Entry DOI: 10.7270/Q2QZ28V2
More data for this
Ligand-Target Pair
Beta-secretase 2


(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 |r|
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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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 US9365589 (2016)


BindingDB Entry DOI: 10.7270/Q2QZ28V2
More data for this
Ligand-Target Pair
Beta-secretase 2


(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 |r|
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/a5.0n/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 US9365589 (2016)


BindingDB Entry DOI: 10.7270/Q2QZ28V2
More data for this
Ligand-Target Pair
Beta-secretase 2


(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 |r|
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/a5.0n/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 US9365589 (2016)


BindingDB Entry DOI: 10.7270/Q2QZ28V2
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 |r|
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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 1 -52.2n/an/an/an/an/a5.030



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...

US Patent US9365589 (2016)


BindingDB Entry DOI: 10.7270/Q2QZ28V2
More data for this
Ligand-Target Pair
Beta-secretase 2


(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 |r|
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/a5.0n/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 US9365589 (2016)


BindingDB Entry DOI: 10.7270/Q2QZ28V2
More data for this
Ligand-Target Pair
Beta-secretase 2


(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 |r|
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/a5.0n/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 US9365589 (2016)


BindingDB Entry DOI: 10.7270/Q2QZ28V2
More data for this
Ligand-Target Pair
Beta-secretase 2


(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 |r|
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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 2n/an/an/an/an/an/a5.0n/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 US9365589 (2016)


BindingDB Entry DOI: 10.7270/Q2QZ28V2
More data for this
Ligand-Target Pair
Beta-secretase 2


(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 |r|
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/a5.0n/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 US9365589 (2016)


BindingDB Entry DOI: 10.7270/Q2QZ28V2
More data for this
Ligand-Target Pair
Beta-secretase 2


(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 |r|
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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 2n/an/an/an/an/an/a5.0n/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 US9365589 (2016)


BindingDB Entry DOI: 10.7270/Q2QZ28V2
More data for this
Ligand-Target Pair
Beta-secretase 2


(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 |r|
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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 2n/an/an/an/an/an/a5.0n/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 US9365589 (2016)


BindingDB Entry DOI: 10.7270/Q2QZ28V2
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 |r|
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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 2.5 -49.9n/an/an/an/an/a5.030



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...

US Patent US9365589 (2016)


BindingDB Entry DOI: 10.7270/Q2QZ28V2
More data for this
Ligand-Target Pair
Beta-secretase 2


(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 |r|
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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 3n/an/an/an/an/an/a5.0n/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 US9365589 (2016)


BindingDB Entry DOI: 10.7270/Q2QZ28V2
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 |r|
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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 3 -49.5n/an/an/an/an/a5.030



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...

US Patent US9365589 (2016)


BindingDB Entry DOI: 10.7270/Q2QZ28V2
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 |r|
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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 3 -49.5n/an/an/an/an/a5.030



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...

US Patent US9365589 (2016)


BindingDB Entry DOI: 10.7270/Q2QZ28V2
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 |r|
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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 3 -49.5n/an/an/an/an/a5.030



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...

US Patent US9365589 (2016)


BindingDB Entry DOI: 10.7270/Q2QZ28V2
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 |r|
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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 3 -49.5n/an/an/an/an/a5.030



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...

US Patent US9365589 (2016)


BindingDB Entry DOI: 10.7270/Q2QZ28V2
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 |r|
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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 3 -49.5n/an/an/an/an/a5.030



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...

US Patent US9365589 (2016)


BindingDB Entry DOI: 10.7270/Q2QZ28V2
More data for this
Ligand-Target Pair
Beta-secretase 2


(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 |r|
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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 3n/an/an/an/an/an/a5.0n/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 US9365589 (2016)


BindingDB Entry DOI: 10.7270/Q2QZ28V2
More data for this
Ligand-Target Pair
Beta-secretase 2


(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 |r|
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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 3n/an/an/an/an/an/a5.0n/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 US9365589 (2016)


BindingDB Entry DOI: 10.7270/Q2QZ28V2
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 |r|
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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 3.5 -49.1n/an/an/an/an/a5.030



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...

US Patent US9365589 (2016)


BindingDB Entry DOI: 10.7270/Q2QZ28V2
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 |r|
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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 4 -48.7n/an/an/an/an/a5.030



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...

US Patent US9365589 (2016)


BindingDB Entry DOI: 10.7270/Q2QZ28V2
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 |r|
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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 4 -48.7n/an/an/an/an/a5.030



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...

US Patent US9365589 (2016)


BindingDB Entry DOI: 10.7270/Q2QZ28V2
More data for this
Ligand-Target Pair
Beta-secretase 2


(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 |r|
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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 4n/an/an/an/an/an/a5.0n/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 US9365589 (2016)


BindingDB Entry DOI: 10.7270/Q2QZ28V2
More data for this
Ligand-Target Pair
Beta-secretase 2


(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 |r|
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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 5n/an/an/an/an/an/a5.0n/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 US9365589 (2016)


BindingDB Entry DOI: 10.7270/Q2QZ28V2
More data for this
Ligand-Target Pair
Beta-secretase 2


(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 |r|
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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 5n/an/an/an/an/an/a5.0n/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 US9365589 (2016)


BindingDB Entry DOI: 10.7270/Q2QZ28V2
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 |r|
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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 5.80 -47.8n/an/an/an/an/a5.030



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...

US Patent US9365589 (2016)


BindingDB Entry DOI: 10.7270/Q2QZ28V2
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 |r|
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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 6 -47.7n/an/an/an/an/a5.030



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...

US Patent US9365589 (2016)


BindingDB Entry DOI: 10.7270/Q2QZ28V2
More data for this
Ligand-Target Pair
Beta-secretase 2


(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 |r|
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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 6n/an/an/an/an/an/a5.0n/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 US9365589 (2016)


BindingDB Entry DOI: 10.7270/Q2QZ28V2
More data for this
Ligand-Target Pair
Beta-secretase 2


(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 |r|
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/a5.0n/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 US9365589 (2016)


BindingDB Entry DOI: 10.7270/Q2QZ28V2
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 |r|
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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 6.20 -47.6n/an/an/an/an/a5.030



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...

US Patent US9365589 (2016)


BindingDB Entry DOI: 10.7270/Q2QZ28V2
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 |r|
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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 7 -47.3n/an/an/an/an/a5.030



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...

US Patent US9365589 (2016)


BindingDB Entry DOI: 10.7270/Q2QZ28V2
More data for this
Ligand-Target Pair
Beta-secretase 2


(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 |r|
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/a5.0n/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 US9365589 (2016)


BindingDB Entry DOI: 10.7270/Q2QZ28V2
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 |r|
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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 7 -47.3n/an/an/an/an/a5.030



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...

US Patent US9365589 (2016)


BindingDB Entry DOI: 10.7270/Q2QZ28V2
More data for this
Ligand-Target Pair
Beta-secretase 2


(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 |r|
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/a5.0n/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 US9365589 (2016)


BindingDB Entry DOI: 10.7270/Q2QZ28V2
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 |r|
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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 8 -47.0n/an/an/an/an/a5.030



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...

US Patent US9365589 (2016)


BindingDB Entry DOI: 10.7270/Q2QZ28V2
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 |r|
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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 9 -46.7n/an/an/an/an/a5.030



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...

US Patent US9365589 (2016)


BindingDB Entry DOI: 10.7270/Q2QZ28V2
More data for this
Ligand-Target Pair
Beta-secretase 2


(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 |r|
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/a5.0n/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 US9365589 (2016)


BindingDB Entry DOI: 10.7270/Q2QZ28V2
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 |r|
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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 10 -46.4n/an/an/an/an/a5.030



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...

US Patent US9365589 (2016)


BindingDB Entry DOI: 10.7270/Q2QZ28V2
More data for this
Ligand-Target Pair
Beta-secretase 2


(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 |r|
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/a5.0n/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 US9365589 (2016)


BindingDB Entry DOI: 10.7270/Q2QZ28V2
More data for this
Ligand-Target Pair
Beta-secretase 2


(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 |r|
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/a5.0n/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 US9365589 (2016)


BindingDB Entry DOI: 10.7270/Q2QZ28V2
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 |r|
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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 13 -45.8n/an/an/an/an/a5.030



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...

US Patent US9365589 (2016)


BindingDB Entry DOI: 10.7270/Q2QZ28V2
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 |r|
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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 13 -45.8n/an/an/an/an/a5.030



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...

US Patent US9365589 (2016)


BindingDB Entry DOI: 10.7270/Q2QZ28V2
More data for this
Ligand-Target Pair
Beta-secretase 2


(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 |r|
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/a5.0n/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 US9365589 (2016)


BindingDB Entry DOI: 10.7270/Q2QZ28V2
More data for this
Ligand-Target Pair
Beta-secretase 2


(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 |r|
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/a5.0n/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 US9365589 (2016)


BindingDB Entry DOI: 10.7270/Q2QZ28V2
More data for this
Ligand-Target Pair
Beta-secretase 2


(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 |r|
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/a5.0n/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 US9365589 (2016)


BindingDB Entry DOI: 10.7270/Q2QZ28V2
More data for this
Ligand-Target Pair
Beta-secretase 2


(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 |r|
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/a5.0n/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 US9365589 (2016)


BindingDB Entry DOI: 10.7270/Q2QZ28V2
More data for this
Ligand-Target Pair
Beta-secretase 2


(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 |r|
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/a5.0n/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 US9365589 (2016)


BindingDB Entry DOI: 10.7270/Q2QZ28V2
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 |r|
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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 25 -44.1n/an/an/an/an/a5.030



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...

US Patent US9365589 (2016)


BindingDB Entry DOI: 10.7270/Q2QZ28V2
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 |r|
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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 32 -43.5n/an/an/an/an/a5.030



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...

US Patent US9365589 (2016)


BindingDB Entry DOI: 10.7270/Q2QZ28V2
More data for this
Ligand-Target Pair
Beta-secretase 2


(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 |r|
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/a5.0n/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 US9365589 (2016)


BindingDB Entry DOI: 10.7270/Q2QZ28V2
More data for this
Ligand-Target Pair
Beta-secretase 2


(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 |r|
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/a5.0n/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 US9365589 (2016)


BindingDB Entry DOI: 10.7270/Q2QZ28V2
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 |r|
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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 39 -43.0n/an/an/an/an/a5.030



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...

US Patent US9365589 (2016)


BindingDB Entry DOI: 10.7270/Q2QZ28V2
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 |r|
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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 42 -42.8n/an/an/an/an/a5.030



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...

US Patent US9365589 (2016)


BindingDB Entry DOI: 10.7270/Q2QZ28V2
More data for this
Ligand-Target Pair
Beta-secretase 2


(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 |r|
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/a5.0n/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 US9365589 (2016)


BindingDB Entry DOI: 10.7270/Q2QZ28V2
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 |r|
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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 62 -41.8n/an/an/an/an/a5.030



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...

US Patent US9365589 (2016)


BindingDB Entry DOI: 10.7270/Q2QZ28V2
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 |r|
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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 74 -41.4n/an/an/an/an/a5.030



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...

US Patent US9365589 (2016)


BindingDB Entry DOI: 10.7270/Q2QZ28V2
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 |r|
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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 84 -41.1n/an/an/an/an/a5.030



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...

US Patent US9365589 (2016)


BindingDB Entry DOI: 10.7270/Q2QZ28V2
More data for this
Ligand-Target Pair
Beta-secretase 2


(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 |r|
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

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 93n/an/an/an/an/an/a5.0n/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 US9365589 (2016)


BindingDB Entry DOI: 10.7270/Q2QZ28V2
More data for this
Ligand-Target Pair
Beta-secretase 2


(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 |r|
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
PDB

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 96n/an/an/an/an/an/a5.0n/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 US9365589 (2016)


BindingDB Entry DOI: 10.7270/Q2QZ28V2
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 |r|
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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 101 -40.6n/an/an/an/an/a5.030



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...

US Patent US9365589 (2016)


BindingDB Entry DOI: 10.7270/Q2QZ28V2
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 |r|
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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 151 -39.6n/an/an/an/an/a5.030



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...

US Patent US9365589 (2016)


BindingDB Entry DOI: 10.7270/Q2QZ28V2
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 |r|
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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UniChem
US Patent
 201 -38.9n/an/an/an/an/a5.030



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...

US Patent US9365589 (2016)


BindingDB Entry DOI: 10.7270/Q2QZ28V2
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 |r|
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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US Patent
 204 -38.8n/an/an/an/an/a5.030



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...

US Patent US9365589 (2016)


BindingDB Entry DOI: 10.7270/Q2QZ28V2
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 |r|
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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US Patent
 213 -38.7n/an/an/an/an/a5.030



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...

US Patent US9365589 (2016)


BindingDB Entry DOI: 10.7270/Q2QZ28V2
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 |r|
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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US Patent
 258 -38.2n/an/an/an/an/a5.030



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...

US Patent US9365589 (2016)


BindingDB Entry DOI: 10.7270/Q2QZ28V2
More data for this
Ligand-Target Pair
Beta-secretase 2


(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 |r|
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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US Patent
 309n/an/an/an/an/an/a5.0n/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 US9365589 (2016)


BindingDB Entry DOI: 10.7270/Q2QZ28V2
More data for this
Ligand-Target Pair
Beta-secretase 2


(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 |r|
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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US Patent
 476n/an/an/an/an/an/a5.0n/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 US9365589 (2016)


BindingDB Entry DOI: 10.7270/Q2QZ28V2
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 |r|
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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US Patent
 559 -36.3n/an/an/an/an/a5.030



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...

US Patent US9365589 (2016)


BindingDB Entry DOI: 10.7270/Q2QZ28V2
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 |r|
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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US Patent
 1.10E+3 -34.6n/an/an/an/an/a5.030



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...

US Patent US9365589 (2016)


BindingDB Entry DOI: 10.7270/Q2QZ28V2
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%