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Patent code US9802928

Compile Data Set for Download or QSAR
Found 48 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))
BDBM352255
PNG
(US9802928, 1k)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ncc(cc3C)C#N)ccc2F)C2(CC2)S1(=O)=O
Show InChI InChI=1S/C21H21FN6O3S/c1-12-8-13(10-23)11-25-17(12)18(29)26-14-4-5-16(22)15(9-14)20(2)21(6-7-21)32(30,31)28(3)19(24)27-20/h4-5,8-9,11H,6-7H2,1-3H3,(H2,24,27)(H,26,29)/t20-/m1/s1
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Merck Sharp & Dohme Corp

US Patent


Assay Description
A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay mo...


US Patent US9802928 (2017)


BindingDB Entry DOI: 10.7270/Q21Z46K6
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM352268
PNG
(US9802928, 2)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(Cl)cn3)ccc2F)C2(CC2)S1(=O)=O
Show InChI InChI=1S/C19H19ClFN5O3S/c1-18(19(7-8-19)30(28,29)26(2)17(22)25-18)13-9-12(4-5-14(13)21)24-16(27)15-6-3-11(20)10-23-15/h3-6,9-10H,7-8H2,1-2H3,(H2,22,25)(H,24,27)/t18-/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...


US Patent US9802928 (2017)


BindingDB Entry DOI: 10.7270/Q21Z46K6
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM352256
PNG
(US9802928, 1l)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccn(n3)C(F)F)ccc2F)C2(CC2)S1(=O)=O
Show InChI InChI=1S/C18H19F3N6O3S/c1-17(18(6-7-18)31(29,30)26(2)16(22)24-17)11-9-10(3-4-12(11)19)23-14(28)13-5-8-27(25-13)15(20)21/h3-5,8-9,15H,6-7H2,1-2H3,(H2,22,24)(H,23,28)/t17-/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...


US Patent US9802928 (2017)


BindingDB Entry DOI: 10.7270/Q21Z46K6
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM352259
PNG
(US9802928, 1o)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ncc(Cl)cc3F)ccc2F)C2(CC2)S1(=O)=O
Show InChI InChI=1S/C19H18ClF2N5O3S/c1-18(19(5-6-19)31(29,30)27(2)17(23)26-18)12-8-11(3-4-13(12)21)25-16(28)15-14(22)7-10(20)9-24-15/h3-4,7-9H,5-6H2,1-2H3,(H2,23,26)(H,25,28)/t18-/m1/s1
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3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9802928 (2017)


BindingDB Entry DOI: 10.7270/Q21Z46K6
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM352251
PNG
(US9802928, 1g)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(cn3)C#N)ccc2F)C2(CC2)S1(=O)=O
Show InChI InChI=1S/C20H19FN6O3S/c1-19(20(7-8-20)31(29,30)27(2)18(23)26-19)14-9-13(4-5-15(14)21)25-17(28)16-6-3-12(10-22)11-24-16/h3-6,9,11H,7-8H2,1-2H3,(H2,23,26)(H,25,28)/t19-/m1/s1
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Merck Sharp & Dohme Corp

US Patent


Assay Description
A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay mo...


US Patent US9802928 (2017)


BindingDB Entry DOI: 10.7270/Q21Z46K6
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM352256
PNG
(US9802928, 1l)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccn(n3)C(F)F)ccc2F)C2(CC2)S1(=O)=O
Show InChI InChI=1S/C18H19F3N6O3S/c1-17(18(6-7-18)31(29,30)26(2)16(22)24-17)11-9-10(3-4-12(11)19)23-14(28)13-5-8-27(25-13)15(20)21/h3-5,8-9,15H,6-7H2,1-2H3,(H2,22,24)(H,23,28)/t17-/m1/s1
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Merck Sharp & Dohme Corp

US Patent


Assay Description
A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay mo...


US Patent US9802928 (2017)


BindingDB Entry DOI: 10.7270/Q21Z46K6
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM352268
PNG
(US9802928, 2)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(Cl)cn3)ccc2F)C2(CC2)S1(=O)=O
Show InChI InChI=1S/C19H19ClFN5O3S/c1-18(19(7-8-19)30(28,29)26(2)17(22)25-18)13-9-12(4-5-14(13)21)24-16(27)15-6-3-11(20)10-23-15/h3-6,9-10H,7-8H2,1-2H3,(H2,22,25)(H,24,27)/t18-/m1/s1
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Merck Sharp & Dohme Corp

US Patent


Assay Description
A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay mo...


US Patent US9802928 (2017)


BindingDB Entry DOI: 10.7270/Q21Z46K6
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM352255
PNG
(US9802928, 1k)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ncc(cc3C)C#N)ccc2F)C2(CC2)S1(=O)=O
Show InChI InChI=1S/C21H21FN6O3S/c1-12-8-13(10-23)11-25-17(12)18(29)26-14-4-5-16(22)15(9-14)20(2)21(6-7-21)32(30,31)28(3)19(24)27-20/h4-5,8-9,11H,6-7H2,1-3H3,(H2,24,27)(H,26,29)/t20-/m1/s1
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5n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9802928 (2017)


BindingDB Entry DOI: 10.7270/Q21Z46K6
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM352259
PNG
(US9802928, 1o)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ncc(Cl)cc3F)ccc2F)C2(CC2)S1(=O)=O
Show InChI InChI=1S/C19H18ClF2N5O3S/c1-18(19(5-6-19)31(29,30)27(2)17(23)26-18)12-8-11(3-4-13(12)21)25-16(28)15-14(22)7-10(20)9-24-15/h3-4,7-9H,5-6H2,1-2H3,(H2,23,26)(H,25,28)/t18-/m1/s1
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Merck Sharp & Dohme Corp

US Patent


Assay Description
A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay mo...


US Patent US9802928 (2017)


BindingDB Entry DOI: 10.7270/Q21Z46K6
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM352267
PNG
(US9802928, 1w)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3cnc(OCC(F)(F)F)cn3)ccc2F)C2(CC2)S1(=O)=O
Show InChI InChI=1S/C20H20F4N6O4S/c1-18(19(5-6-19)35(32,33)30(2)17(25)29-18)12-7-11(3-4-13(12)21)28-16(31)14-8-27-15(9-26-14)34-10-20(22,23)24/h3-4,7-9H,5-6,10H2,1-2H3,(H2,25,29)(H,28,31)/t18-/m1/s1
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Merck Sharp & Dohme Corp

US Patent


Assay Description
A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay mo...


US Patent US9802928 (2017)


BindingDB Entry DOI: 10.7270/Q21Z46K6
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM352246
PNG
(US9802928, 1c)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(OCC#C)cn3)ccc2F)C2(CC2)S1(=O)=O
Show InChI InChI=1S/C22H22FN5O4S/c1-4-11-32-15-6-8-18(25-13-15)19(29)26-14-5-7-17(23)16(12-14)21(2)22(9-10-22)33(30,31)28(3)20(24)27-21/h1,5-8,12-13H,9-11H2,2-3H3,(H2,24,27)(H,26,29)/t21-/m1/s1
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Merck Sharp & Dohme Corp

US Patent


Assay Description
A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay mo...


US Patent US9802928 (2017)


BindingDB Entry DOI: 10.7270/Q21Z46K6
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM352249
PNG
(US9802928, 1f)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(cn3)C(F)(F)F)ccc2F)C2(CC2)S1(=O)=O
Show InChI InChI=1S/C20H19F4N5O3S/c1-18(19(7-8-19)33(31,32)29(2)17(25)28-18)13-9-12(4-5-14(13)21)27-16(30)15-6-3-11(10-26-15)20(22,23)24/h3-6,9-10H,7-8H2,1-2H3,(H2,25,28)(H,27,30)/t18-/m1/s1
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Merck Sharp & Dohme Corp

US Patent


Assay Description
A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay mo...


US Patent US9802928 (2017)


BindingDB Entry DOI: 10.7270/Q21Z46K6
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM352262
PNG
(US9802928, 1r)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)C2(CC2)S1(=O)=O
Show InChI InChI=1S/C19H19F2N5O3S/c1-18(19(7-8-19)30(28,29)26(2)17(22)25-18)13-9-12(4-5-14(13)21)24-16(27)15-6-3-11(20)10-23-15/h3-6,9-10H,7-8H2,1-2H3,(H2,22,25)(H,24,27)/t18-/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 US9802928 (2017)


BindingDB Entry DOI: 10.7270/Q21Z46K6
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM352252
PNG
(US9802928, 1h)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3noc(C)n3)ccc2F)C2(CC2)S1(=O)=O
Show InChI InChI=1S/C17H19FN6O4S/c1-9-20-13(23-28-9)14(25)21-10-4-5-12(18)11(8-10)16(2)17(6-7-17)29(26,27)24(3)15(19)22-16/h4-5,8H,6-7H2,1-3H3,(H2,19,22)(H,21,25)/t16-/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...


US Patent US9802928 (2017)


BindingDB Entry DOI: 10.7270/Q21Z46K6
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM352263
PNG
(US9802928, 1s)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(OC(F)F)cn3)ccc2F)C2(CC2)S1(=O)=O
Show InChI InChI=1S/C20H20F3N5O4S/c1-19(20(7-8-20)33(30,31)28(2)18(24)27-19)13-9-11(3-5-14(13)21)26-16(29)15-6-4-12(10-25-15)32-17(22)23/h3-6,9-10,17H,7-8H2,1-2H3,(H2,24,27)(H,26,29)/t19-/m1/s1
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8n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay mo...


US Patent US9802928 (2017)


BindingDB Entry DOI: 10.7270/Q21Z46K6
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM352265
PNG
(US9802928, 1u)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3nc(C)oc3C)ccc2F)C2(CC2)S1(=O)=O
Show InChI InChI=1S/C19H22FN5O4S/c1-10-15(22-11(2)29-10)16(26)23-12-5-6-14(20)13(9-12)18(3)19(7-8-19)30(27,28)25(4)17(21)24-18/h5-6,9H,7-8H2,1-4H3,(H2,21,24)(H,23,26)/t18-/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...


US Patent US9802928 (2017)


BindingDB Entry DOI: 10.7270/Q21Z46K6
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM352254
PNG
(US9802928, 1j)
Show SMILES COc1cnc(C(=O)Nc2ccc(F)c(c2)[C@@]2(C)NC(=N)N(C)S(=O)(=O)C22CC2)c(C)c1
Show InChI InChI=1S/C21H24FN5O4S/c1-12-9-14(31-4)11-24-17(12)18(28)25-13-5-6-16(22)15(10-13)20(2)21(7-8-21)32(29,30)27(3)19(23)26-20/h5-6,9-11H,7-8H2,1-4H3,(H2,23,26)(H,25,28)/t20-/m1/s1
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10n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9802928 (2017)


BindingDB Entry DOI: 10.7270/Q21Z46K6
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM352247
PNG
(US9802928, 1d)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3cnsn3)ccc2F)C2(CC2)S1(=O)=O
Show InChI InChI=1S/C16H17FN6O3S2/c1-15(16(5-6-16)28(25,26)23(2)14(18)21-15)10-7-9(3-4-11(10)17)20-13(24)12-8-19-27-22-12/h3-4,7-8H,5-6H2,1-2H3,(H2,18,21)(H,20,24)/t15-/m1/s1
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15n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9802928 (2017)


BindingDB Entry DOI: 10.7270/Q21Z46K6
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM352262
PNG
(US9802928, 1r)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)C2(CC2)S1(=O)=O
Show InChI InChI=1S/C19H19F2N5O3S/c1-18(19(7-8-19)30(28,29)26(2)17(22)25-18)13-9-12(4-5-14(13)21)24-16(27)15-6-3-11(20)10-23-15/h3-6,9-10H,7-8H2,1-2H3,(H2,22,25)(H,24,27)/t18-/m1/s1
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16n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay mo...


US Patent US9802928 (2017)


BindingDB Entry DOI: 10.7270/Q21Z46K6
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM352251
PNG
(US9802928, 1g)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(cn3)C#N)ccc2F)C2(CC2)S1(=O)=O
Show InChI InChI=1S/C20H19FN6O3S/c1-19(20(7-8-20)31(29,30)27(2)18(23)26-19)14-9-13(4-5-15(14)21)25-17(28)16-6-3-12(10-22)11-24-16/h3-6,9,11H,7-8H2,1-2H3,(H2,23,26)(H,25,28)/t19-/m1/s1
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17n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9802928 (2017)


BindingDB Entry DOI: 10.7270/Q21Z46K6
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM352244
PNG
(US9802928, 1a)
Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)C11CC1
Show InChI InChI=1S/C20H22FN5O4S/c1-19(20(8-9-20)31(28,29)26(2)18(22)25-19)14-10-12(4-6-15(14)21)24-17(27)16-7-5-13(30-3)11-23-16/h4-7,10-11H,8-9H2,1-3H3,(H2,22,25)(H,24,27)/t19-/m1/s1
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17n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9802928 (2017)


BindingDB Entry DOI: 10.7270/Q21Z46K6
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM352244
PNG
(US9802928, 1a)
Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)C11CC1
Show InChI InChI=1S/C20H22FN5O4S/c1-19(20(8-9-20)31(28,29)26(2)18(22)25-19)14-10-12(4-6-15(14)21)24-17(27)16-7-5-13(30-3)11-23-16/h4-7,10-11H,8-9H2,1-3H3,(H2,22,25)(H,24,27)/t19-/m1/s1
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18n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay mo...


US Patent US9802928 (2017)


BindingDB Entry DOI: 10.7270/Q21Z46K6
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM352248
PNG
(US9802928, 1e)
Show SMILES COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)C11CC1
Show InChI InChI=1S/C19H21FN6O4S/c1-18(19(6-7-19)31(28,29)26(2)17(21)25-18)12-8-11(4-5-13(12)20)24-16(27)14-9-23-15(30-3)10-22-14/h4-5,8-10H,6-7H2,1-3H3,(H2,21,25)(H,24,27)/t18-/m1/s1
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20n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay mo...


US Patent US9802928 (2017)


BindingDB Entry DOI: 10.7270/Q21Z46K6
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM352254
PNG
(US9802928, 1j)
Show SMILES COc1cnc(C(=O)Nc2ccc(F)c(c2)[C@@]2(C)NC(=N)N(C)S(=O)(=O)C22CC2)c(C)c1
Show InChI InChI=1S/C21H24FN5O4S/c1-12-9-14(31-4)11-24-17(12)18(28)25-13-5-6-16(22)15(10-13)20(2)21(7-8-21)32(29,30)27(3)19(23)26-20/h5-6,9-11H,7-8H2,1-4H3,(H2,23,26)(H,25,28)/t20-/m1/s1
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22n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay mo...


US Patent US9802928 (2017)


BindingDB Entry DOI: 10.7270/Q21Z46K6
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM352265
PNG
(US9802928, 1u)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3nc(C)oc3C)ccc2F)C2(CC2)S1(=O)=O
Show InChI InChI=1S/C19H22FN5O4S/c1-10-15(22-11(2)29-10)16(26)23-12-5-6-14(20)13(9-12)18(3)19(7-8-19)30(27,28)25(4)17(21)24-18/h5-6,9H,7-8H2,1-4H3,(H2,21,24)(H,23,26)/t18-/m1/s1
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25n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay mo...


US Patent US9802928 (2017)


BindingDB Entry DOI: 10.7270/Q21Z46K6
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM352247
PNG
(US9802928, 1d)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3cnsn3)ccc2F)C2(CC2)S1(=O)=O
Show InChI InChI=1S/C16H17FN6O3S2/c1-15(16(5-6-16)28(25,26)23(2)14(18)21-15)10-7-9(3-4-11(10)17)20-13(24)12-8-19-27-22-12/h3-4,7-8H,5-6H2,1-2H3,(H2,18,21)(H,20,24)/t15-/m1/s1
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25n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay mo...


US Patent US9802928 (2017)


BindingDB Entry DOI: 10.7270/Q21Z46K6
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM352252
PNG
(US9802928, 1h)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3noc(C)n3)ccc2F)C2(CC2)S1(=O)=O
Show InChI InChI=1S/C17H19FN6O4S/c1-9-20-13(23-28-9)14(25)21-10-4-5-12(18)11(8-10)16(2)17(6-7-17)29(26,27)24(3)15(19)22-16/h4-5,8H,6-7H2,1-3H3,(H2,19,22)(H,21,25)/t16-/m1/s1
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31n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay mo...


US Patent US9802928 (2017)


BindingDB Entry DOI: 10.7270/Q21Z46K6
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM352261
PNG
(US9802928, 1q)
Show SMILES COc1cnc(C(=O)Nc2ccc(F)c(c2)[C@@]2(C)NC(=N)N(C)S(=O)(=O)C22CC2)c(C)n1
Show InChI InChI=1S/C20H23FN6O4S/c1-11-16(23-10-15(24-11)31-4)17(28)25-12-5-6-14(21)13(9-12)19(2)20(7-8-20)32(29,30)27(3)18(22)26-19/h5-6,9-10H,7-8H2,1-4H3,(H2,22,26)(H,25,28)/t19-/m1/s1
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38n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay mo...


US Patent US9802928 (2017)


BindingDB Entry DOI: 10.7270/Q21Z46K6
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM352261
PNG
(US9802928, 1q)
Show SMILES COc1cnc(C(=O)Nc2ccc(F)c(c2)[C@@]2(C)NC(=N)N(C)S(=O)(=O)C22CC2)c(C)n1
Show InChI InChI=1S/C20H23FN6O4S/c1-11-16(23-10-15(24-11)31-4)17(28)25-12-5-6-14(21)13(9-12)19(2)20(7-8-20)32(29,30)27(3)18(22)26-19/h5-6,9-10H,7-8H2,1-4H3,(H2,22,26)(H,25,28)/t19-/m1/s1
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41n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9802928 (2017)


BindingDB Entry DOI: 10.7270/Q21Z46K6
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM352264
PNG
(US9802928, 1t)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3cnc(OCCF)cn3)ccc2F)C2(CC2)S1(=O)=O
Show InChI InChI=1S/C20H22F2N6O4S/c1-19(20(5-6-20)33(30,31)28(2)18(23)27-19)13-9-12(3-4-14(13)22)26-17(29)15-10-25-16(11-24-15)32-8-7-21/h3-4,9-11H,5-8H2,1-2H3,(H2,23,27)(H,26,29)/t19-/m1/s1
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42n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay mo...


US Patent US9802928 (2017)


BindingDB Entry DOI: 10.7270/Q21Z46K6
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM352263
PNG
(US9802928, 1s)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(OC(F)F)cn3)ccc2F)C2(CC2)S1(=O)=O
Show InChI InChI=1S/C20H20F3N5O4S/c1-19(20(7-8-20)33(30,31)28(2)18(24)27-19)13-9-11(3-5-14(13)21)26-16(29)15-6-4-12(10-25-15)32-17(22)23/h3-6,9-10,17H,7-8H2,1-2H3,(H2,24,27)(H,26,29)/t19-/m1/s1
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46n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9802928 (2017)


BindingDB Entry DOI: 10.7270/Q21Z46K6
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM352253
PNG
(US9802928, 1i)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ncc(cn3)C(F)(F)F)ccc2F)C2(CC2)S1(=O)=O
Show InChI InChI=1S/C19H18F4N6O3S/c1-17(18(5-6-18)33(31,32)29(2)16(24)28-17)12-7-11(3-4-13(12)20)27-15(30)14-25-8-10(9-26-14)19(21,22)23/h3-4,7-9H,5-6H2,1-2H3,(H2,24,28)(H,27,30)/t17-/m1/s1
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47n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay mo...


US Patent US9802928 (2017)


BindingDB Entry DOI: 10.7270/Q21Z46K6
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM352249
PNG
(US9802928, 1f)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(cn3)C(F)(F)F)ccc2F)C2(CC2)S1(=O)=O
Show InChI InChI=1S/C20H19F4N5O3S/c1-18(19(7-8-19)33(31,32)29(2)17(25)28-18)13-9-12(4-5-14(13)21)27-16(30)15-6-3-11(10-26-15)20(22,23)24/h3-6,9-10H,7-8H2,1-2H3,(H2,25,28)(H,27,30)/t18-/m1/s1
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55n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9802928 (2017)


BindingDB Entry DOI: 10.7270/Q21Z46K6
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM352248
PNG
(US9802928, 1e)
Show SMILES COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)C11CC1
Show InChI InChI=1S/C19H21FN6O4S/c1-18(19(6-7-19)31(28,29)26(2)17(21)25-18)12-8-11(4-5-13(12)20)24-16(27)14-9-23-15(30-3)10-22-14/h4-5,8-10H,6-7H2,1-3H3,(H2,21,25)(H,24,27)/t18-/m1/s1
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56n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9802928 (2017)


BindingDB Entry DOI: 10.7270/Q21Z46K6
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM352260
PNG
(US9802928, 1p)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3cnc(cn3)C(F)(F)F)ccc2F)C2(CC2)S1(=O)=O
Show InChI InChI=1S/C19H18F4N6O3S/c1-17(18(5-6-18)33(31,32)29(2)16(24)28-17)11-7-10(3-4-12(11)20)27-15(30)13-8-26-14(9-25-13)19(21,22)23/h3-4,7-9H,5-6H2,1-2H3,(H2,24,28)(H,27,30)/t17-/m1/s1
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58n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay mo...


US Patent US9802928 (2017)


BindingDB Entry DOI: 10.7270/Q21Z46K6
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM352266
PNG
(US9802928, 1v)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3cn4ccsc4n3)ccc2F)C2(CC2)S1(=O)=O
Show InChI InChI=1S/C19H19FN6O3S2/c1-18(19(5-6-19)31(28,29)25(2)16(21)24-18)12-9-11(3-4-13(12)20)22-15(27)14-10-26-7-8-30-17(26)23-14/h3-4,7-10H,5-6H2,1-2H3,(H2,21,24)(H,22,27)/t18-/m1/s1
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63n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9802928 (2017)


BindingDB Entry DOI: 10.7270/Q21Z46K6
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM352246
PNG
(US9802928, 1c)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(OCC#C)cn3)ccc2F)C2(CC2)S1(=O)=O
Show InChI InChI=1S/C22H22FN5O4S/c1-4-11-32-15-6-8-18(25-13-15)19(29)26-14-5-7-17(23)16(12-14)21(2)22(9-10-22)33(30,31)28(3)20(24)27-21/h1,5-8,12-13H,9-11H2,2-3H3,(H2,24,27)(H,26,29)/t21-/m1/s1
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95n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9802928 (2017)


BindingDB Entry DOI: 10.7270/Q21Z46K6
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM352253
PNG
(US9802928, 1i)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ncc(cn3)C(F)(F)F)ccc2F)C2(CC2)S1(=O)=O
Show InChI InChI=1S/C19H18F4N6O3S/c1-17(18(5-6-18)33(31,32)29(2)16(24)28-17)12-7-11(3-4-13(12)20)27-15(30)14-25-8-10(9-26-14)19(21,22)23/h3-4,7-9H,5-6H2,1-2H3,(H2,24,28)(H,27,30)/t17-/m1/s1
PDB

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106n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9802928 (2017)


BindingDB Entry DOI: 10.7270/Q21Z46K6
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM352267
PNG
(US9802928, 1w)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3cnc(OCC(F)(F)F)cn3)ccc2F)C2(CC2)S1(=O)=O
Show InChI InChI=1S/C20H20F4N6O4S/c1-18(19(5-6-19)35(32,33)30(2)17(25)29-18)12-7-11(3-4-13(12)21)28-16(31)14-8-27-15(9-26-14)34-10-20(22,23)24/h3-4,7-9H,5-6,10H2,1-2H3,(H2,25,29)(H,28,31)/t18-/m1/s1
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159n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9802928 (2017)


BindingDB Entry DOI: 10.7270/Q21Z46K6
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM352258
PNG
(US9802928, 1n)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3cc(C)on3)ccc2F)C2(CC2)S1(=O)=O
Show InChI InChI=1S/C18H20FN5O4S/c1-10-8-14(23-28-10)15(25)21-11-4-5-13(19)12(9-11)17(2)18(6-7-18)29(26,27)24(3)16(20)22-17/h4-5,8-9H,6-7H2,1-3H3,(H2,20,22)(H,21,25)/t17-/m1/s1
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220n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9802928 (2017)


BindingDB Entry DOI: 10.7270/Q21Z46K6
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM352266
PNG
(US9802928, 1v)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3cn4ccsc4n3)ccc2F)C2(CC2)S1(=O)=O
Show InChI InChI=1S/C19H19FN6O3S2/c1-18(19(5-6-19)31(28,29)25(2)16(21)24-18)12-9-11(3-4-13(12)20)22-15(27)14-10-26-7-8-30-17(26)23-14/h3-4,7-10H,5-6H2,1-2H3,(H2,21,24)(H,22,27)/t18-/m1/s1
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232n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay mo...


US Patent US9802928 (2017)


BindingDB Entry DOI: 10.7270/Q21Z46K6
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM352264
PNG
(US9802928, 1t)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3cnc(OCCF)cn3)ccc2F)C2(CC2)S1(=O)=O
Show InChI InChI=1S/C20H22F2N6O4S/c1-19(20(5-6-20)33(30,31)28(2)18(23)27-19)13-9-12(3-4-14(13)22)26-17(29)15-10-25-16(11-24-15)32-8-7-21/h3-4,9-11H,5-8H2,1-2H3,(H2,23,27)(H,26,29)/t19-/m1/s1
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285n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9802928 (2017)


BindingDB Entry DOI: 10.7270/Q21Z46K6
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM352260
PNG
(US9802928, 1p)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3cnc(cn3)C(F)(F)F)ccc2F)C2(CC2)S1(=O)=O
Show InChI InChI=1S/C19H18F4N6O3S/c1-17(18(5-6-18)33(31,32)29(2)16(24)28-17)11-7-10(3-4-12(11)20)27-15(30)13-8-26-14(9-25-13)19(21,22)23/h3-4,7-9H,5-6H2,1-2H3,(H2,24,28)(H,27,30)/t17-/m1/s1
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346n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9802928 (2017)


BindingDB Entry DOI: 10.7270/Q21Z46K6
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM352258
PNG
(US9802928, 1n)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3cc(C)on3)ccc2F)C2(CC2)S1(=O)=O
Show InChI InChI=1S/C18H20FN5O4S/c1-10-8-14(23-28-10)15(25)21-11-4-5-13(19)12(9-11)17(2)18(6-7-18)29(26,27)24(3)16(20)22-17/h4-5,8-9H,6-7H2,1-3H3,(H2,20,22)(H,21,25)/t17-/m1/s1
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620n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay mo...


US Patent US9802928 (2017)


BindingDB Entry DOI: 10.7270/Q21Z46K6
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM352257
PNG
(US9802928, 1m)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3cn4ccc(cc4n3)C#N)ccc2F)C2(CC2)S1(=O)=O
Show InChI InChI=1S/C22H20FN7O3S/c1-21(22(6-7-22)34(32,33)29(2)20(25)28-21)15-10-14(3-4-16(15)23)26-19(31)17-12-30-8-5-13(11-24)9-18(30)27-17/h3-5,8-10,12H,6-7H2,1-2H3,(H2,25,28)(H,26,31)/t21-/m1/s1
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1.64E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9802928 (2017)


BindingDB Entry DOI: 10.7270/Q21Z46K6
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM352245
PNG
(US9802928, 1b)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3cn(C)nc3C(F)(F)F)ccc2F)C2(CC2)S1(=O)=O
Show InChI InChI=1S/C19H20F4N6O3S/c1-17(18(6-7-18)33(31,32)29(3)16(24)26-17)12-8-10(4-5-13(12)20)25-15(30)11-9-28(2)27-14(11)19(21,22)23/h4-5,8-9H,6-7H2,1-3H3,(H2,24,26)(H,25,30)/t17-/m1/s1
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3.25E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9802928 (2017)


BindingDB Entry DOI: 10.7270/Q21Z46K6
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM352245
PNG
(US9802928, 1b)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3cn(C)nc3C(F)(F)F)ccc2F)C2(CC2)S1(=O)=O
Show InChI InChI=1S/C19H20F4N6O3S/c1-17(18(6-7-18)33(31,32)29(3)16(24)26-17)12-8-10(4-5-13(12)20)25-15(30)11-9-28(2)27-14(11)19(21,22)23/h4-5,8-9H,6-7H2,1-3H3,(H2,24,26)(H,25,30)/t17-/m1/s1
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4.94E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay mo...


US Patent US9802928 (2017)


BindingDB Entry DOI: 10.7270/Q21Z46K6
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM352257
PNG
(US9802928, 1m)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3cn4ccc(cc4n3)C#N)ccc2F)C2(CC2)S1(=O)=O
Show InChI InChI=1S/C22H20FN7O3S/c1-21(22(6-7-22)34(32,33)29(2)20(25)28-21)15-10-14(3-4-16(15)23)26-19(31)17-12-30-8-5-13(11-24)9-18(30)27-17/h3-5,8-10,12H,6-7H2,1-2H3,(H2,25,28)(H,26,31)/t21-/m1/s1
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5.50E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay mo...


US Patent US9802928 (2017)


BindingDB Entry DOI: 10.7270/Q21Z46K6
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%