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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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2n/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)

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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US Patent
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)

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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US Patent
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)

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)

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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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)

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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5n/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)

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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5n/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)

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)

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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6n/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)

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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6n/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)

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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6n/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)

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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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)

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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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)

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)

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)

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)

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)

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)

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)

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
PDB

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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)

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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US Patent
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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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
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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)

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)

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)

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)

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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US Patent
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)

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
PDB

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US Patent
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)

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
PDB
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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)

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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US Patent
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)

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)

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)

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)

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