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Patent code US9489013

Compile Data Set for Download or QSAR
Found 194 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))
BDBM256786
PNG
(US9489013, 57)
Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@@]11CCN(C1)S(=O)(=O)CC(C)C
Show InChI InChI=1S/C25H33FN6O6S2/c1-16(2)14-39(34,35)32-11-10-25(15-32)24(3,30-23(27)31(4)40(25,36)37)19-12-17(6-8-20(19)26)29-22(33)21-9-7-18(38-5)13-28-21/h6-9,12-13,16H,10-11,14-15H2,1-5H3,(H2,27,30)(H,29,33)/t24-,25-/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...


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


(Homo sapiens (Human))
BDBM256808
PNG
(US9489013, 79)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@]2(CCN(C2)S(=O)(=O)C2CC2)S1(=O)=O
Show InChI InChI=1S/C23H26F2N6O5S2/c1-22(17-11-15(4-7-18(17)25)28-20(32)19-8-3-14(24)12-27-19)23(38(35,36)30(2)21(26)29-22)9-10-31(13-23)37(33,34)16-5-6-16/h3-4,7-8,11-12,16H,5-6,9-10,13H2,1-2H3,(H2,26,29)(H,28,32)/t22-,23-/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...


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


(Homo sapiens (Human))
BDBM256742
PNG
(US9489013, 13)
Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@@]11CCN(CCC(F)(F)F)C1
Show InChI InChI=1S/C24H28F4N6O4S/c1-22(17-12-15(4-6-18(17)25)31-20(35)19-7-5-16(38-3)13-30-19)23(39(36,37)33(2)21(29)32-22)8-10-34(14-23)11-9-24(26,27)28/h4-7,12-13H,8-11,14H2,1-3H3,(H2,29,32)(H,31,35)/t22-,23-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50's at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEV...


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


(Homo sapiens (Human))
BDBM256761
PNG
(US9489013, 32)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@]2(CCN(CC3CCOC3)C2)S1(=O)=O
Show InChI InChI=1S/C25H30F2N6O4S/c1-24(19-11-18(4-5-20(19)27)30-22(34)21-6-3-17(26)12-29-21)25(38(35,36)32(2)23(28)31-24)8-9-33(15-25)13-16-7-10-37-14-16/h3-6,11-12,16H,7-10,13-15H2,1-2H3,(H2,28,31)(H,30,34)/t16?,24-,25-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50's at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEV...


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


(Homo sapiens (Human))
BDBM256742
PNG
(US9489013, 13)
Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@@]11CCN(CCC(F)(F)F)C1
Show InChI InChI=1S/C24H28F4N6O4S/c1-22(17-12-15(4-6-18(17)25)31-20(35)19-7-5-16(38-3)13-30-19)23(39(36,37)33(2)21(29)32-22)8-10-34(14-23)11-9-24(26,27)28/h4-7,12-13H,8-11,14H2,1-3H3,(H2,29,32)(H,31,35)/t22-,23-/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...


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


(Homo sapiens (Human))
BDBM256785
PNG
(US9489013, 56)
Show SMILES CCS(=O)(=O)N1CC[C@@]2(C1)[C@](C)(NC(=N)N(C)S2(=O)=O)c1cc(NC(=O)c2ccc(OC)cn2)ccc1F
Show InChI InChI=1S/C23H29FN6O6S2/c1-5-37(32,33)30-11-10-23(14-30)22(2,28-21(25)29(3)38(23,34)35)17-12-15(6-8-18(17)24)27-20(31)19-9-7-16(36-4)13-26-19/h6-9,12-13H,5,10-11,14H2,1-4H3,(H2,25,28)(H,27,31)/t22-,23-/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...


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


(Homo sapiens (Human))
BDBM256789
PNG
(US9489013, 60)
Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@@]11CCN(C1)S(=O)(=O)C1CC1
Show InChI InChI=1S/C24H29FN6O6S2/c1-23(18-12-15(4-8-19(18)25)28-21(32)20-9-5-16(37-3)13-27-20)24(39(35,36)30(2)22(26)29-23)10-11-31(14-24)38(33,34)17-6-7-17/h4-5,8-9,12-13,17H,6-7,10-11,14H2,1-3H3,(H2,26,29)(H,28,32)/t23-,24-/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...


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


(Homo sapiens (Human))
BDBM256765
PNG
(US9489013, 36)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@]2(CCN(CCC(F)(F)F)C2)S1(=O)=O
Show InChI InChI=1S/C23H25F5N6O3S/c1-21(16-11-15(4-5-17(16)25)31-19(35)18-6-3-14(24)12-30-18)22(38(36,37)33(2)20(29)32-21)7-9-34(13-22)10-8-23(26,27)28/h3-6,11-12H,7-10,13H2,1-2H3,(H2,29,32)(H,31,35)/t21-,22-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50's at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEV...


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


(Homo sapiens (Human))
BDBM256738
PNG
(US9489013, 9)
Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@@]11CCN(CC2CCOC2)C1
Show InChI InChI=1S/C26H33FN6O5S/c1-25(20-12-18(4-6-21(20)27)30-23(34)22-7-5-19(37-3)13-29-22)26(39(35,36)32(2)24(28)31-25)9-10-33(16-26)14-17-8-11-38-15-17/h4-7,12-13,17H,8-11,14-16H2,1-3H3,(H2,28,31)(H,30,34)/t17?,25-,26-/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...


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


(Homo sapiens (Human))
BDBM256765
PNG
(US9489013, 36)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@]2(CCN(CCC(F)(F)F)C2)S1(=O)=O
Show InChI InChI=1S/C23H25F5N6O3S/c1-21(16-11-15(4-5-17(16)25)31-19(35)18-6-3-14(24)12-30-18)22(38(36,37)33(2)20(29)32-21)7-9-34(13-22)10-8-23(26,27)28/h3-6,11-12H,7-10,13H2,1-2H3,(H2,29,32)(H,31,35)/t21-,22-/m1/s1
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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...


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


(Homo sapiens (Human))
BDBM256761
PNG
(US9489013, 32)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@]2(CCN(CC3CCOC3)C2)S1(=O)=O
Show InChI InChI=1S/C25H30F2N6O4S/c1-24(19-11-18(4-5-20(19)27)30-22(34)21-6-3-17(26)12-29-21)25(38(35,36)32(2)23(28)31-24)8-9-33(15-25)13-16-7-10-37-14-16/h3-6,11-12,16H,7-10,13-15H2,1-2H3,(H2,28,31)(H,30,34)/t16?,24-,25-/m1/s1
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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...


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


(Homo sapiens (Human))
BDBM256739
PNG
(US9489013, 10)
Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@@]11CCN(Cc2ccccn2)C1
Show InChI InChI=1S/C27H30FN7O4S/c1-26(21-14-18(7-9-22(21)28)32-24(36)23-10-8-20(39-3)15-31-23)27(40(37,38)34(2)25(29)33-26)11-13-35(17-27)16-19-6-4-5-12-30-19/h4-10,12,14-15H,11,13,16-17H2,1-3H3,(H2,29,33)(H,32,36)/t26-,27-/m1/s1
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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...


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


(Homo sapiens (Human))
BDBM256813
PNG
(US9489013, 84)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@]2(CCN(C2)S(=O)(=O)C2CCCC2)S1(=O)=O
Show InChI InChI=1S/C25H30F2N6O5S2/c1-24(19-13-17(8-9-20(19)27)30-22(34)21-10-7-16(26)14-29-21)25(40(37,38)32(2)23(28)31-24)11-12-33(15-25)39(35,36)18-5-3-4-6-18/h7-10,13-14,18H,3-6,11-12,15H2,1-2H3,(H2,28,31)(H,30,34)/t24-,25-/m1/s1
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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...


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


(Homo sapiens (Human))
BDBM256813
PNG
(US9489013, 84)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@]2(CCN(C2)S(=O)(=O)C2CCCC2)S1(=O)=O
Show InChI InChI=1S/C25H30F2N6O5S2/c1-24(19-13-17(8-9-20(19)27)30-22(34)21-10-7-16(26)14-29-21)25(40(37,38)32(2)23(28)31-24)11-12-33(15-25)39(35,36)18-5-3-4-6-18/h7-10,13-14,18H,3-6,11-12,15H2,1-2H3,(H2,28,31)(H,30,34)/t24-,25-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50's at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEV...


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


(Homo sapiens (Human))
BDBM256734
PNG
(US9489013, 5)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)C2(CCN(C2)C(=O)C2CC2)S1(=O)=O
Show InChI InChI=1S/C24H26F2N6O4S/c1-23(17-11-16(6-7-18(17)26)29-20(33)19-8-5-15(25)12-28-19)24(37(35,36)31(2)22(27)30-23)9-10-32(13-24)21(34)14-3-4-14/h5-8,11-12,14H,3-4,9-10,13H2,1-2H3,(H2,27,30)(H,29,33)/t23-,24?/m1/s1
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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...


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


(Homo sapiens (Human))
BDBM256806
PNG
(US9489013, 77)
Show SMILES CC(C)CS(=O)(=O)N1CC[C@@]2(C1)[C@](C)(NC(=N)N(C)S2(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F
Show InChI InChI=1S/C24H30F2N6O5S2/c1-15(2)13-38(34,35)32-10-9-24(14-32)23(3,30-22(27)31(4)39(24,36)37)18-11-17(6-7-19(18)26)29-21(33)20-8-5-16(25)12-28-20/h5-8,11-12,15H,9-10,13-14H2,1-4H3,(H2,27,30)(H,29,33)/t23-,24-/m1/s1
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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...


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


(Homo sapiens (Human))
BDBM256740
PNG
(US9489013, 11)
Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@@]11CCN(Cc2cccnc2)C1
Show InChI InChI=1S/C27H30FN7O4S/c1-26(21-13-19(6-8-22(21)28)32-24(36)23-9-7-20(39-3)15-31-23)27(40(37,38)34(2)25(29)33-26)10-12-35(17-27)16-18-5-4-11-30-14-18/h4-9,11,13-15H,10,12,16-17H2,1-3H3,(H2,29,33)(H,32,36)/t26-,27-/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...


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


(Homo sapiens (Human))
BDBM256741
PNG
(US9489013, 12)
Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@@]11CCN(CC2CC2)C1
Show InChI InChI=1S/C25H31FN6O4S/c1-24(19-12-17(6-8-20(19)26)29-22(33)21-9-7-18(36-3)13-28-21)25(37(34,35)31(2)23(27)30-24)10-11-32(15-25)14-16-4-5-16/h6-9,12-13,16H,4-5,10-11,14-15H2,1-3H3,(H2,27,30)(H,29,33)/t24-,25-/m1/s1
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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...


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


(Homo sapiens (Human))
BDBM256809
PNG
(US9489013, 80)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@]2(CCN(C2)S(=O)(=O)Cc2cccnc2)S1(=O)=O
Show InChI InChI=1S/C26H27F2N7O5S2/c1-25(20-12-19(6-7-21(20)28)32-23(36)22-8-5-18(27)14-31-22)26(42(39,40)34(2)24(29)33-25)9-11-35(16-26)41(37,38)15-17-4-3-10-30-13-17/h3-8,10,12-14H,9,11,15-16H2,1-2H3,(H2,29,33)(H,32,36)/t25-,26-/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...


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


(Homo sapiens (Human))
BDBM256766
PNG
(US9489013, 37)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@]2(CCN(Cc3cocn3)C2)S1(=O)=O
Show InChI InChI=1S/C24H25F2N7O4S/c1-23(18-9-16(4-5-19(18)26)30-21(34)20-6-3-15(25)10-28-20)24(38(35,36)32(2)22(27)31-23)7-8-33(13-24)11-17-12-37-14-29-17/h3-6,9-10,12,14H,7-8,11,13H2,1-2H3,(H2,27,31)(H,30,34)/t23-,24-/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...


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


(Homo sapiens (Human))
BDBM256808
PNG
(US9489013, 79)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@]2(CCN(C2)S(=O)(=O)C2CC2)S1(=O)=O
Show InChI InChI=1S/C23H26F2N6O5S2/c1-22(17-11-15(4-7-18(17)25)28-20(32)19-8-3-14(24)12-27-19)23(38(35,36)30(2)21(26)29-22)9-10-31(13-23)37(33,34)16-5-6-16/h3-4,7-8,11-12,16H,5-6,9-10,13H2,1-2H3,(H2,26,29)(H,28,32)/t22-,23-/m1/s1
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2n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50's at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEV...


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


(Homo sapiens (Human))
BDBM256760
PNG
(US9489013, 31)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@]2(CCN(CC3CC3)C2)S1(=O)=O
Show InChI InChI=1S/C24H28F2N6O3S/c1-23(18-11-17(6-7-19(18)26)29-21(33)20-8-5-16(25)12-28-20)24(36(34,35)31(2)22(27)30-23)9-10-32(14-24)13-15-3-4-15/h5-8,11-12,15H,3-4,9-10,13-14H2,1-2H3,(H2,27,30)(H,29,33)/t23-,24-/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...


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


(Homo sapiens (Human))
BDBM256764
PNG
(US9489013, 35)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@]2(CCN(Cc3cccnc3)C2)S1(=O)=O
Show InChI InChI=1S/C26H27F2N7O3S/c1-25(20-12-19(6-7-21(20)28)32-23(36)22-8-5-18(27)14-31-22)26(39(37,38)34(2)24(29)33-25)9-11-35(16-26)15-17-4-3-10-30-13-17/h3-8,10,12-14H,9,11,15-16H2,1-2H3,(H2,29,33)(H,32,36)/t25-,26-/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...


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


(Homo sapiens (Human))
BDBM256768
PNG
(US9489013, 39)
Show SMILES CCCCN1CC[C@@]2(C1)[C@](C)(NC(=N)N(C)S2(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F
Show InChI InChI=1S/C24H30F2N6O3S/c1-4-5-11-32-12-10-24(15-32)23(2,30-22(27)31(3)36(24,34)35)18-13-17(7-8-19(18)26)29-21(33)20-9-6-16(25)14-28-20/h6-9,13-14H,4-5,10-12,15H2,1-3H3,(H2,27,30)(H,29,33)/t23-,24-/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...


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


(Homo sapiens (Human))
BDBM256807
PNG
(US9489013, 78)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@]2(CCN(C2)S(=O)(=O)c2ccccc2)S1(=O)=O
Show InChI InChI=1S/C26H26F2N6O5S2/c1-25(20-14-18(9-10-21(20)28)31-23(35)22-11-8-17(27)15-30-22)26(41(38,39)33(2)24(29)32-25)12-13-34(16-26)40(36,37)19-6-4-3-5-7-19/h3-11,14-15H,12-13,16H2,1-2H3,(H2,29,32)(H,31,35)/t25-,26-/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...


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


(Homo sapiens (Human))
BDBM256803
PNG
(US9489013, 74)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@]2(CCN(C2)S(=O)(=O)CC(F)(F)F)S1(=O)=O
Show InChI InChI=1S/C22H23F5N6O5S2/c1-20(15-9-14(4-5-16(15)24)30-18(34)17-6-3-13(23)10-29-17)21(40(37,38)32(2)19(28)31-20)7-8-33(11-21)39(35,36)12-22(25,26)27/h3-6,9-10H,7-8,11-12H2,1-2H3,(H2,28,31)(H,30,34)/t20-,21-/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...


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


(Homo sapiens (Human))
BDBM256805
PNG
(US9489013, 76)
Show SMILES CCS(=O)(=O)N1CC[C@@]2(C1)[C@](C)(NC(=N)N(C)S2(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F
Show InChI InChI=1S/C22H26F2N6O5S2/c1-4-36(32,33)30-10-9-22(13-30)21(2,28-20(25)29(3)37(22,34)35)16-11-15(6-7-17(16)24)27-19(31)18-8-5-14(23)12-26-18/h5-8,11-12H,4,9-10,13H2,1-3H3,(H2,25,28)(H,27,31)/t21-,22-/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...


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


(Homo sapiens (Human))
BDBM256738
PNG
(US9489013, 9)
Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@@]11CCN(CC2CCOC2)C1
Show InChI InChI=1S/C26H33FN6O5S/c1-25(20-12-18(4-6-21(20)27)30-23(34)22-7-5-19(37-3)13-29-22)26(39(35,36)32(2)24(28)31-25)9-10-33(16-26)14-17-8-11-38-15-17/h4-7,12-13,17H,8-11,14-16H2,1-3H3,(H2,28,31)(H,30,34)/t17?,25-,26-/m1/s1
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2n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50's at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEV...


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


(Homo sapiens (Human))
BDBM256735
PNG
(US9489013, 6)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)C2(CCN(C2)C(=O)CC2CC2)S1(=O)=O
Show InChI InChI=1S/C25H28F2N6O4S/c1-24(18-12-17(6-7-19(18)27)30-22(35)20-8-5-16(26)13-29-20)25(38(36,37)32(2)23(28)31-24)9-10-33(14-25)21(34)11-15-3-4-15/h5-8,12-13,15H,3-4,9-11,14H2,1-2H3,(H2,28,31)(H,30,35)/t24-,25?/m1/s1
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2.70n/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...


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


(Homo sapiens (Human))
BDBM256736
PNG
(US9489013, 7)
Show SMILES CC(C)CC(=O)N1CCC2(C1)[C@](C)(NC(=N)N(C)S2(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F
Show InChI InChI=1S/C25H30F2N6O4S/c1-15(2)11-21(34)33-10-9-25(14-33)24(3,31-23(28)32(4)38(25,36)37)18-12-17(6-7-19(18)27)30-22(35)20-8-5-16(26)13-29-20/h5-8,12-13,15H,9-11,14H2,1-4H3,(H2,28,31)(H,30,35)/t24-,25?/m1/s1
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2.80n/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...


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


(Homo sapiens (Human))
BDBM256770
PNG
(US9489013, 41)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@]2(CCN(Cc3ccccn3)C2)S1(=O)=O
Show InChI InChI=1S/C26H27F2N7O3S/c1-25(20-13-18(7-8-21(20)28)32-23(36)22-9-6-17(27)14-31-22)26(39(37,38)34(2)24(29)33-25)10-12-35(16-26)15-19-5-3-4-11-30-19/h3-9,11,13-14H,10,12,15-16H2,1-2H3,(H2,29,33)(H,32,36)/t25-,26-/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...


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


(Homo sapiens (Human))
BDBM256791
PNG
(US9489013, 62)
Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@@]11CCN(C1)S(=O)(=O)CC1CCCO1
Show InChI InChI=1S/C26H33FN6O7S2/c1-25(20-13-17(6-8-21(20)27)30-23(34)22-9-7-18(39-3)14-29-22)26(42(37,38)32(2)24(28)31-25)10-11-33(16-26)41(35,36)15-19-5-4-12-40-19/h6-9,13-14,19H,4-5,10-12,15-16H2,1-3H3,(H2,28,31)(H,30,34)/t19?,25-,26-/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...


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


(Homo sapiens (Human))
BDBM256784
PNG
(US9489013, 55)
Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@@]11CCN(C1)S(C)(=O)=O
Show InChI InChI=1S/C22H27FN6O6S2/c1-21(22(9-10-29(13-22)36(4,31)32)37(33,34)28(2)20(24)27-21)16-11-14(5-7-17(16)23)26-19(30)18-8-6-15(35-3)12-25-18/h5-8,11-12H,9-10,13H2,1-4H3,(H2,24,27)(H,26,30)/t21-,22-/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...


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


(Homo sapiens (Human))
BDBM256743
PNG
(US9489013, 14)
Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@@]11CCN(Cc2cnco2)C1
Show InChI InChI=1S/C25H28FN7O5S/c1-24(19-10-16(4-6-20(19)26)30-22(34)21-7-5-17(37-3)12-29-21)25(39(35,36)32(2)23(27)31-24)8-9-33(14-25)13-18-11-28-15-38-18/h4-7,10-12,15H,8-9,13-14H2,1-3H3,(H2,27,31)(H,30,34)/t24-,25-/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...


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


(Homo sapiens (Human))
BDBM256737
PNG
(US9489013, 8)
Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@@]11CCN(Cc2cscn2)C1
Show InChI InChI=1S/C25H28FN7O4S2/c1-24(19-10-16(4-6-20(19)26)30-22(34)21-7-5-18(37-3)11-28-21)25(39(35,36)32(2)23(27)31-24)8-9-33(14-25)12-17-13-38-15-29-17/h4-7,10-11,13,15H,8-9,12,14H2,1-3H3,(H2,27,31)(H,30,34)/t24-,25-/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...


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


(Homo sapiens (Human))
BDBM256806
PNG
(US9489013, 77)
Show SMILES CC(C)CS(=O)(=O)N1CC[C@@]2(C1)[C@](C)(NC(=N)N(C)S2(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F
Show InChI InChI=1S/C24H30F2N6O5S2/c1-15(2)13-38(34,35)32-10-9-24(14-32)23(3,30-22(27)31(4)39(24,36)37)18-11-17(6-7-19(18)26)29-21(33)20-8-5-16(25)12-28-20/h5-8,11-12,15H,9-10,13-14H2,1-4H3,(H2,27,30)(H,29,33)/t23-,24-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50's at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEV...


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


(Homo sapiens (Human))
BDBM256802
PNG
(US9489013, 73)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@]2(CCN(C2)S(=O)(=O)c2ccc(F)cc2)S1(=O)=O
Show InChI InChI=1S/C26H25F3N6O5S2/c1-25(20-13-18(6-9-21(20)29)32-23(36)22-10-5-17(28)14-31-22)26(42(39,40)34(2)24(30)33-25)11-12-35(15-26)41(37,38)19-7-3-16(27)4-8-19/h3-10,13-14H,11-12,15H2,1-2H3,(H2,30,33)(H,32,36)/t25-,26-/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...


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


(Homo sapiens (Human))
BDBM256788
PNG
(US9489013, 59)
Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@@]11CCN(C1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C27H29FN6O6S2/c1-26(21-15-18(9-11-22(21)28)31-24(35)23-12-10-19(40-3)16-30-23)27(42(38,39)33(2)25(29)32-26)13-14-34(17-27)41(36,37)20-7-5-4-6-8-20/h4-12,15-16H,13-14,17H2,1-3H3,(H2,29,32)(H,31,35)/t26-,27-/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...


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


(Homo sapiens (Human))
BDBM256762
PNG
(US9489013, 33)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@]2(CCN(Cc3cscn3)C2)S1(=O)=O
Show InChI InChI=1S/C24H25F2N7O3S2/c1-23(18-9-16(4-5-19(18)26)30-21(34)20-6-3-15(25)10-28-20)24(38(35,36)32(2)22(27)31-23)7-8-33(13-24)11-17-12-37-14-29-17/h3-6,9-10,12,14H,7-8,11,13H2,1-2H3,(H2,27,31)(H,30,34)/t23-,24-/m1/s1
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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...


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


(Homo sapiens (Human))
BDBM256787
PNG
(US9489013, 58)
Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@@]11CCN(C1)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C27H28F2N6O6S2/c1-26(21-14-18(6-10-22(21)29)32-24(36)23-11-7-19(41-3)15-31-23)27(43(39,40)34(2)25(30)33-26)12-13-35(16-27)42(37,38)20-8-4-17(28)5-9-20/h4-11,14-15H,12-13,16H2,1-3H3,(H2,30,33)(H,32,36)/t26-,27-/m1/s1
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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...


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


(Homo sapiens (Human))
BDBM256768
PNG
(US9489013, 39)
Show SMILES CCCCN1CC[C@@]2(C1)[C@](C)(NC(=N)N(C)S2(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F
Show InChI InChI=1S/C24H30F2N6O3S/c1-4-5-11-32-12-10-24(15-32)23(2,30-22(27)31(3)36(24,34)35)18-13-17(7-8-19(18)26)29-21(33)20-9-6-16(25)14-28-20/h6-9,13-14H,4-5,10-12,15H2,1-3H3,(H2,27,30)(H,29,33)/t23-,24-/m1/s1
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Merck Sharp & Dohme Corp.

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Assay Description
Inhibitor IC50's at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEV...


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


(Homo sapiens (Human))
BDBM256734
PNG
(US9489013, 5)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)C2(CCN(C2)C(=O)C2CC2)S1(=O)=O
Show InChI InChI=1S/C24H26F2N6O4S/c1-23(17-11-16(6-7-18(17)26)29-20(33)19-8-5-15(25)12-28-19)24(37(35,36)31(2)22(27)30-23)9-10-32(13-24)21(34)14-3-4-14/h5-8,11-12,14H,3-4,9-10,13H2,1-2H3,(H2,27,30)(H,29,33)/t23-,24?/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50's at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEV...


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


(Homo sapiens (Human))
BDBM256730
PNG
(US9489013, 1)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)C2(CCN(Cc3ccccc3)C2)S1(=O)=O
Show InChI InChI=1S/C27H28F2N6O3S/c1-26(21-14-20(9-10-22(21)29)32-24(36)23-11-8-19(28)15-31-23)27(39(37,38)34(2)25(30)33-26)12-13-35(17-27)16-18-6-4-3-5-7-18/h3-11,14-15H,12-13,16-17H2,1-2H3,(H2,30,33)(H,32,36)/t26-,27?/m1/s1
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Merck Sharp & Dohme Corp.

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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...


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


(Homo sapiens (Human))
BDBM256733
PNG
(US9489013, 4)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)C2(CCN(C2)C(C)=O)S1(=O)=O
Show InChI InChI=1S/C22H24F2N6O4S/c1-13(31)30-9-8-22(12-30)21(2,28-20(25)29(3)35(22,33)34)16-10-15(5-6-17(16)24)27-19(32)18-7-4-14(23)11-26-18/h4-7,10-11H,8-9,12H2,1-3H3,(H2,25,28)(H,27,32)/t21-,22?/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...


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


(Homo sapiens (Human))
BDBM256811
PNG
(US9489013, 82)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@]2(CCN(C2)S(=O)(=O)CC2CCCO2)S1(=O)=O
Show InChI InChI=1S/C25H30F2N6O6S2/c1-24(19-12-17(6-7-20(19)27)30-22(34)21-8-5-16(26)13-29-21)25(41(37,38)32(2)23(28)31-24)9-10-33(15-25)40(35,36)14-18-4-3-11-39-18/h5-8,12-13,18H,3-4,9-11,14-15H2,1-2H3,(H2,28,31)(H,30,34)/t18?,24-,25-/m1/s1
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Merck Sharp & Dohme Corp.

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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...


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


(Homo sapiens (Human))
BDBM256803
PNG
(US9489013, 74)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@]2(CCN(C2)S(=O)(=O)CC(F)(F)F)S1(=O)=O
Show InChI InChI=1S/C22H23F5N6O5S2/c1-20(15-9-14(4-5-16(15)24)30-18(34)17-6-3-13(23)10-29-17)21(40(37,38)32(2)19(28)31-20)7-8-33(11-21)39(35,36)12-22(25,26)27/h3-6,9-10H,7-8,11-12H2,1-2H3,(H2,28,31)(H,30,34)/t20-,21-/m1/s1
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Merck Sharp & Dohme Corp.

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Assay Description
Inhibitor IC50's at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEV...


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


(Homo sapiens (Human))
BDBM256789
PNG
(US9489013, 60)
Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@@]11CCN(C1)S(=O)(=O)C1CC1
Show InChI InChI=1S/C24H29FN6O6S2/c1-23(18-12-15(4-8-19(18)25)28-21(32)20-9-5-16(37-3)13-27-20)24(39(35,36)30(2)22(26)29-23)10-11-31(14-24)38(33,34)17-6-7-17/h4-5,8-9,12-13,17H,6-7,10-11,14H2,1-3H3,(H2,26,29)(H,28,32)/t23-,24-/m1/s1
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Merck Sharp & Dohme Corp.

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Assay Description
Inhibitor IC50's at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEV...


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


(Homo sapiens (Human))
BDBM256744
PNG
(US9489013, 15)
Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@@]11CCN(Cc2cncnc2)C1
Show InChI InChI=1S/C26H29FN8O4S/c1-25(20-10-18(4-6-21(20)27)32-23(36)22-7-5-19(39-3)13-31-22)26(40(37,38)34(2)24(28)33-25)8-9-35(15-26)14-17-11-29-16-30-12-17/h4-7,10-13,16H,8-9,14-15H2,1-3H3,(H2,28,33)(H,32,36)/t25-,26-/m1/s1
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Merck Sharp & Dohme Corp.

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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...


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


(Homo sapiens (Human))
BDBM256769
PNG
(US9489013, 40)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@]2(CCN(Cc3cnn(C)c3)C2)S1(=O)=O
Show InChI InChI=1S/C25H28F2N8O3S/c1-24(19-10-18(5-6-20(19)27)31-22(36)21-7-4-17(26)12-29-21)25(39(37,38)34(3)23(28)32-24)8-9-35(15-25)14-16-11-30-33(2)13-16/h4-7,10-13H,8-9,14-15H2,1-3H3,(H2,28,32)(H,31,36)/t24-,25-/m1/s1
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Merck Sharp & Dohme Corp.

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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...


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


(Homo sapiens (Human))
BDBM256804
PNG
(US9489013, 75)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@]2(CCN(C2)S(C)(=O)=O)S1(=O)=O
Show InChI InChI=1S/C21H24F2N6O5S2/c1-20(15-10-14(5-6-16(15)23)26-18(30)17-7-4-13(22)11-25-17)21(8-9-29(12-21)35(3,31)32)36(33,34)28(2)19(24)27-20/h4-7,10-11H,8-9,12H2,1-3H3,(H2,24,27)(H,26,30)/t20-,21-/m1/s1
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Merck Sharp & Dohme Corp.

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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...


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


(Homo sapiens (Human))
BDBM256746
PNG
(US9489013, 17)
Show SMILES COC1CC(CN2CC[C@@]3(C2)[C@](C)(NC(=N)N(C)S3(=O)=O)c2cc(NC(=O)c3ccc(OC)cn3)ccc2F)C1
Show InChI InChI=1S/C27H35FN6O5S/c1-26(21-13-18(5-7-22(21)28)31-24(35)23-8-6-19(38-3)14-30-23)27(40(36,37)33(2)25(29)32-26)9-10-34(16-27)15-17-11-20(12-17)39-4/h5-8,13-14,17,20H,9-12,15-16H2,1-4H3,(H2,29,32)(H,31,35)/t17?,20?,26-,27-/m1/s1
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Merck Sharp & Dohme Corp.

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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...


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


(Homo sapiens (Human))
BDBM256767
PNG
(US9489013, 38)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@]2(CCN(Cc3cncnc3)C2)S1(=O)=O
Show InChI InChI=1S/C25H26F2N8O3S/c1-24(19-9-18(4-5-20(19)27)32-22(36)21-6-3-17(26)12-31-21)25(39(37,38)34(2)23(28)33-24)7-8-35(14-25)13-16-10-29-15-30-11-16/h3-6,9-12,15H,7-8,13-14H2,1-2H3,(H2,28,33)(H,32,36)/t24-,25-/m1/s1
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Merck Sharp & Dohme Corp.

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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...


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


(Homo sapiens (Human))
BDBM256805
PNG
(US9489013, 76)
Show SMILES CCS(=O)(=O)N1CC[C@@]2(C1)[C@](C)(NC(=N)N(C)S2(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F
Show InChI InChI=1S/C22H26F2N6O5S2/c1-4-36(32,33)30-10-9-22(13-30)21(2,28-20(25)29(3)37(22,34)35)16-11-15(6-7-17(16)24)27-19(31)18-8-5-14(23)12-26-18/h5-8,11-12H,4,9-10,13H2,1-3H3,(H2,25,28)(H,27,31)/t21-,22-/m1/s1
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Merck Sharp & Dohme Corp.

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Assay Description
Inhibitor IC50's at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEV...


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


(Homo sapiens (Human))
BDBM256759
PNG
(US9489013, 30)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@]2(CCN(Cc3cnco3)C2)S1(=O)=O
Show InChI InChI=1S/C24H25F2N7O4S/c1-23(18-9-16(4-5-19(18)26)30-21(34)20-6-3-15(25)10-29-20)24(38(35,36)32(2)22(27)31-23)7-8-33(13-24)12-17-11-28-14-37-17/h3-6,9-11,14H,7-8,12-13H2,1-2H3,(H2,27,31)(H,30,34)/t23-,24-/m1/s1
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Merck Sharp & Dohme Corp.

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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...


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


(Homo sapiens (Human))
BDBM256745
PNG
(US9489013, 16)
Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@@]11CCN(Cc2cnn(C)c2)C1
Show InChI InChI=1S/C26H31FN8O4S/c1-25(20-11-18(5-7-21(20)27)31-23(36)22-8-6-19(39-4)13-29-22)26(40(37,38)34(3)24(28)32-25)9-10-35(16-26)15-17-12-30-33(2)14-17/h5-8,11-14H,9-10,15-16H2,1-4H3,(H2,28,32)(H,31,36)/t25-,26-/m1/s1
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Merck Sharp & Dohme Corp.

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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...


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


(Homo sapiens (Human))
BDBM256730
PNG
(US9489013, 1)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)C2(CCN(Cc3ccccc3)C2)S1(=O)=O
Show InChI InChI=1S/C27H28F2N6O3S/c1-26(21-14-20(9-10-22(21)29)32-24(36)23-11-8-19(28)15-31-23)27(39(37,38)34(2)25(30)33-26)12-13-35(17-27)16-18-6-4-3-5-7-18/h3-11,14-15H,12-13,16-17H2,1-2H3,(H2,30,33)(H,32,36)/t26-,27?/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50's at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEV...


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


(Homo sapiens (Human))
BDBM256732
PNG
(US9489013, 3)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)C2(CCN(C2)S(C)(=O)=O)S1(=O)=O
Show InChI InChI=1S/C21H24F2N6O5S2/c1-20(15-10-14(5-6-16(15)23)26-18(30)17-7-4-13(22)11-25-17)21(8-9-29(12-21)35(3,31)32)36(33,34)28(2)19(24)27-20/h4-7,10-11H,8-9,12H2,1-3H3,(H2,24,27)(H,26,30)/t20-,21?/m1/s1
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Merck Sharp & Dohme Corp.

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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...


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


(Homo sapiens (Human))
BDBM256812
PNG
(US9489013, 83)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@]2(CCN(C2)S(=O)(=O)c2cn[nH]c2)S1(=O)=O
Show InChI InChI=1S/C23H24F2N8O5S2/c1-22(17-9-15(4-5-18(17)25)30-20(34)19-6-3-14(24)10-27-19)23(40(37,38)32(2)21(26)31-22)7-8-33(13-23)39(35,36)16-11-28-29-12-16/h3-6,9-12H,7-8,13H2,1-2H3,(H2,26,31)(H,28,29)(H,30,34)/t22-,23-/m1/s1
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Merck Sharp & Dohme Corp.

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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...


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


(Homo sapiens (Human))
BDBM256809
PNG
(US9489013, 80)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@]2(CCN(C2)S(=O)(=O)Cc2cccnc2)S1(=O)=O
Show InChI InChI=1S/C26H27F2N7O5S2/c1-25(20-12-19(6-7-21(20)28)32-23(36)22-8-5-18(27)14-31-22)26(42(39,40)34(2)24(29)33-25)9-11-35(16-26)41(37,38)15-17-4-3-10-30-13-17/h3-8,10,12-14H,9,11,15-16H2,1-2H3,(H2,29,33)(H,32,36)/t25-,26-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50's at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEV...


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


(Homo sapiens (Human))
BDBM256816
PNG
(US9489013, 87)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@@]2(CCN(C2)S(=O)(=O)c2cn[nH]c2)S1(=O)=O
Show InChI InChI=1S/C23H24F2N8O5S2/c1-22(17-9-15(4-5-18(17)25)30-20(34)19-6-3-14(24)10-27-19)23(40(37,38)32(2)21(26)31-22)7-8-33(13-23)39(35,36)16-11-28-29-12-16/h3-6,9-12H,7-8,13H2,1-2H3,(H2,26,31)(H,28,29)(H,30,34)/t22-,23+/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50's at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEV...


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


(Homo sapiens (Human))
BDBM256759
PNG
(US9489013, 30)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@]2(CCN(Cc3cnco3)C2)S1(=O)=O
Show InChI InChI=1S/C24H25F2N7O4S/c1-23(18-9-16(4-5-19(18)26)30-21(34)20-6-3-15(25)10-29-20)24(38(35,36)32(2)22(27)31-23)7-8-33(13-24)12-17-11-28-14-37-17/h3-6,9-11,14H,7-8,12-13H2,1-2H3,(H2,27,31)(H,30,34)/t23-,24-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50's at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEV...


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


(Homo sapiens (Human))
BDBM256762
PNG
(US9489013, 33)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@]2(CCN(Cc3cscn3)C2)S1(=O)=O
Show InChI InChI=1S/C24H25F2N7O3S2/c1-23(18-9-16(4-5-19(18)26)30-21(34)20-6-3-15(25)10-28-20)24(38(35,36)32(2)22(27)31-23)7-8-33(13-24)11-17-12-37-14-29-17/h3-6,9-10,12,14H,7-8,11,13H2,1-2H3,(H2,27,31)(H,30,34)/t23-,24-/m1/s1
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Merck Sharp & Dohme Corp.

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Assay Description
Inhibitor IC50's at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEV...


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


(Homo sapiens (Human))
BDBM256766
PNG
(US9489013, 37)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@]2(CCN(Cc3cocn3)C2)S1(=O)=O
Show InChI InChI=1S/C24H25F2N7O4S/c1-23(18-9-16(4-5-19(18)26)30-21(34)20-6-3-15(25)10-28-20)24(38(35,36)32(2)22(27)31-23)7-8-33(13-24)11-17-12-37-14-29-17/h3-6,9-10,12,14H,7-8,11,13H2,1-2H3,(H2,27,31)(H,30,34)/t23-,24-/m1/s1
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Merck Sharp & Dohme Corp.

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Assay Description
Inhibitor IC50's at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEV...


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


(Homo sapiens (Human))
BDBM256760
PNG
(US9489013, 31)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@]2(CCN(CC3CC3)C2)S1(=O)=O
Show InChI InChI=1S/C24H28F2N6O3S/c1-23(18-11-17(6-7-19(18)26)29-21(33)20-8-5-16(25)12-28-20)24(36(34,35)31(2)22(27)30-23)9-10-32(14-24)13-15-3-4-15/h5-8,11-12,15H,3-4,9-10,13-14H2,1-2H3,(H2,27,30)(H,29,33)/t23-,24-/m1/s1
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Merck Sharp & Dohme Corp.

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Assay Description
Inhibitor IC50's at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEV...


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


(Homo sapiens (Human))
BDBM256786
PNG
(US9489013, 57)
Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@@]11CCN(C1)S(=O)(=O)CC(C)C
Show InChI InChI=1S/C25H33FN6O6S2/c1-16(2)14-39(34,35)32-11-10-25(15-32)24(3,30-23(27)31(4)40(25,36)37)19-12-17(6-8-20(19)26)29-22(33)21-9-7-18(38-5)13-28-21/h6-9,12-13,16H,10-11,14-15H2,1-5H3,(H2,27,30)(H,29,33)/t24-,25-/m1/s1
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Merck Sharp & Dohme Corp.

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Assay Description
Inhibitor IC50's at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEV...


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


(Homo sapiens (Human))
BDBM256735
PNG
(US9489013, 6)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)C2(CCN(C2)C(=O)CC2CC2)S1(=O)=O
Show InChI InChI=1S/C25H28F2N6O4S/c1-24(18-12-17(6-7-19(18)27)30-22(35)20-8-5-16(26)13-29-20)25(38(36,37)32(2)23(28)31-24)9-10-33(14-25)21(34)11-15-3-4-15/h5-8,12-13,15H,3-4,9-11,14H2,1-2H3,(H2,28,31)(H,30,35)/t24-,25?/m1/s1
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5.20n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50's at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEV...


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


(Homo sapiens (Human))
BDBM256736
PNG
(US9489013, 7)
Show SMILES CC(C)CC(=O)N1CCC2(C1)[C@](C)(NC(=N)N(C)S2(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F
Show InChI InChI=1S/C25H30F2N6O4S/c1-15(2)11-21(34)33-10-9-25(14-33)24(3,31-23(28)32(4)38(25,36)37)18-12-17(6-7-19(18)27)30-22(35)20-8-5-16(26)13-29-20/h5-8,12-13,15H,9-11,14H2,1-4H3,(H2,28,31)(H,30,35)/t24-,25?/m1/s1
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5.70n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50's at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEV...


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


(Homo sapiens (Human))
BDBM256763
PNG
(US9489013, 34)
Show SMILES COC1CC(CN2CC[C@@]3(C2)[C@](C)(NC(=N)N(C)S3(=O)=O)c2cc(NC(=O)c3ccc(F)cn3)ccc2F)C1
Show InChI InChI=1S/C26H32F2N6O4S/c1-25(20-12-18(5-6-21(20)28)31-23(35)22-7-4-17(27)13-30-22)26(39(36,37)33(2)24(29)32-25)8-9-34(15-26)14-16-10-19(11-16)38-3/h4-7,12-13,16,19H,8-11,14-15H2,1-3H3,(H2,29,32)(H,31,35)/t16?,19?,25-,26-/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...


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


(Homo sapiens (Human))
BDBM256770
PNG
(US9489013, 41)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@]2(CCN(Cc3ccccn3)C2)S1(=O)=O
Show InChI InChI=1S/C26H27F2N7O3S/c1-25(20-13-18(7-8-21(20)28)32-23(36)22-9-6-17(27)14-31-22)26(39(37,38)34(2)24(29)33-25)10-12-35(16-26)15-19-5-3-4-11-30-19/h3-9,11,13-14H,10,12,15-16H2,1-2H3,(H2,29,33)(H,32,36)/t25-,26-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50's at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEV...


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


(Homo sapiens (Human))
BDBM256785
PNG
(US9489013, 56)
Show SMILES CCS(=O)(=O)N1CC[C@@]2(C1)[C@](C)(NC(=N)N(C)S2(=O)=O)c1cc(NC(=O)c2ccc(OC)cn2)ccc1F
Show InChI InChI=1S/C23H29FN6O6S2/c1-5-37(32,33)30-11-10-23(14-30)22(2,28-21(25)29(3)38(23,34)35)17-12-15(6-8-18(17)24)27-20(31)19-9-7-16(36-4)13-26-19/h6-9,12-13H,5,10-11,14H2,1-4H3,(H2,25,28)(H,27,31)/t22-,23-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50's at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEV...


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


(Homo sapiens (Human))
BDBM256790
PNG
(US9489013, 61)
Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@@]11CCN(C1)S(=O)(=O)c1cn(C)cn1
Show InChI InChI=1S/C25H29FN8O6S2/c1-24(18-11-16(5-7-19(18)26)30-22(35)20-8-6-17(40-4)12-28-20)25(42(38,39)33(3)23(27)31-24)9-10-34(14-25)41(36,37)21-13-32(2)15-29-21/h5-8,11-13,15H,9-10,14H2,1-4H3,(H2,27,31)(H,30,35)/t24-,25-/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...


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


(Homo sapiens (Human))
BDBM256764
PNG
(US9489013, 35)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@]2(CCN(Cc3cccnc3)C2)S1(=O)=O
Show InChI InChI=1S/C26H27F2N7O3S/c1-25(20-12-19(6-7-21(20)28)32-23(36)22-8-5-18(27)14-31-22)26(39(37,38)34(2)24(29)33-25)9-11-35(16-26)15-17-4-3-10-30-13-17/h3-8,10,12-14H,9,11,15-16H2,1-2H3,(H2,29,33)(H,32,36)/t25-,26-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50's at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEV...


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


(Homo sapiens (Human))
BDBM256824
PNG
(US9489013, 95)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@@]2(CCN(C2)S(=O)(=O)c2ccc(F)cc2)S1(=O)=O
Show InChI InChI=1S/C26H25F3N6O5S2/c1-25(20-13-18(6-9-21(20)29)32-23(36)22-10-5-17(28)14-31-22)26(42(39,40)34(2)24(30)33-25)11-12-35(15-26)41(37,38)19-7-3-16(27)4-8-19/h3-10,13-14H,11-12,15H2,1-2H3,(H2,30,33)(H,32,36)/t25-,26+/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50's at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEV...


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


(Homo sapiens (Human))
BDBM256820
PNG
(US9489013, 91)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@@]2(CCN(C2)S(=O)(=O)c2ccccc2)S1(=O)=O
Show InChI InChI=1S/C26H26F2N6O5S2/c1-25(20-14-18(9-10-21(20)28)31-23(35)22-11-8-17(27)15-30-22)26(41(38,39)33(2)24(29)32-25)12-13-34(16-26)40(36,37)19-6-4-3-5-7-19/h3-11,14-15H,12-13,16H2,1-2H3,(H2,29,32)(H,31,35)/t25-,26+/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50's at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEV...


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


(Homo sapiens (Human))
BDBM256767
PNG
(US9489013, 38)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@]2(CCN(Cc3cncnc3)C2)S1(=O)=O
Show InChI InChI=1S/C25H26F2N8O3S/c1-24(19-9-18(4-5-20(19)27)32-22(36)21-6-3-17(26)12-31-21)25(39(37,38)34(2)23(28)33-24)7-8-35(14-25)13-16-10-29-15-30-11-16/h3-6,9-12,15H,7-8,13-14H2,1-2H3,(H2,28,33)(H,32,36)/t24-,25-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50's at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEV...


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


(Homo sapiens (Human))
BDBM256741
PNG
(US9489013, 12)
Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@@]11CCN(CC2CC2)C1
Show InChI InChI=1S/C25H31FN6O4S/c1-24(19-12-17(6-8-20(19)26)29-22(33)21-9-7-18(36-3)13-28-21)25(37(34,35)31(2)23(27)30-24)10-11-32(15-25)14-16-4-5-16/h6-9,12-13,16H,4-5,10-11,14-15H2,1-3H3,(H2,27,30)(H,29,33)/t24-,25-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50's at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEV...


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


(Homo sapiens (Human))
BDBM256804
PNG
(US9489013, 75)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@]2(CCN(C2)S(C)(=O)=O)S1(=O)=O
Show InChI InChI=1S/C21H24F2N6O5S2/c1-20(15-10-14(5-6-16(15)23)26-18(30)17-7-4-13(22)11-25-17)21(8-9-29(12-21)35(3,31)32)36(33,34)28(2)19(24)27-20/h4-7,10-11H,8-9,12H2,1-3H3,(H2,24,27)(H,26,30)/t20-,21-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50's at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEV...


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


(Homo sapiens (Human))
BDBM256807
PNG
(US9489013, 78)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@]2(CCN(C2)S(=O)(=O)c2ccccc2)S1(=O)=O
Show InChI InChI=1S/C26H26F2N6O5S2/c1-25(20-14-18(9-10-21(20)28)31-23(35)22-11-8-17(27)15-30-22)26(41(38,39)33(2)24(29)32-25)12-13-34(16-26)40(36,37)19-6-4-3-5-7-19/h3-11,14-15H,12-13,16H2,1-2H3,(H2,29,32)(H,31,35)/t25-,26-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50's at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEV...


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


(Homo sapiens (Human))
BDBM256758
PNG
(US9489013, 29)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@]2(CCN(Cc3ccncc3)C2)S1(=O)=O
Show InChI InChI=1S/C26H27F2N7O3S/c1-25(20-13-19(4-5-21(20)28)32-23(36)22-6-3-18(27)14-31-22)26(39(37,38)34(2)24(29)33-25)9-12-35(16-26)15-17-7-10-30-11-8-17/h3-8,10-11,13-14H,9,12,15-16H2,1-2H3,(H2,29,33)(H,32,36)/t25-,26-/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...


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


(Homo sapiens (Human))
BDBM256810
PNG
(US9489013, 81)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@]2(CCN(C2)S(=O)(=O)c2cn(C)cn2)S1(=O)=O
Show InChI InChI=1S/C24H26F2N8O5S2/c1-23(17-10-16(5-6-18(17)26)30-21(35)19-7-4-15(25)11-28-19)24(41(38,39)33(3)22(27)31-23)8-9-34(13-24)40(36,37)20-12-32(2)14-29-20/h4-7,10-12,14H,8-9,13H2,1-3H3,(H2,27,31)(H,30,35)/t23-,24-/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...


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


(Homo sapiens (Human))
BDBM256733
PNG
(US9489013, 4)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)C2(CCN(C2)C(C)=O)S1(=O)=O
Show InChI InChI=1S/C22H24F2N6O4S/c1-13(31)30-9-8-22(12-30)21(2,28-20(25)29(3)35(22,33)34)16-10-15(5-6-17(16)24)27-19(32)18-7-4-14(23)11-26-18/h4-7,10-11H,8-9,12H2,1-3H3,(H2,25,28)(H,27,32)/t21-,22?/m1/s1
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9n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50's at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEV...


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


(Homo sapiens (Human))
BDBM256743
PNG
(US9489013, 14)
Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@@]11CCN(Cc2cnco2)C1
Show InChI InChI=1S/C25H28FN7O5S/c1-24(19-10-16(4-6-20(19)26)30-22(34)21-7-5-17(37-3)12-29-21)25(39(35,36)32(2)23(27)31-24)8-9-33(14-25)13-18-11-28-15-38-18/h4-7,10-12,15H,8-9,13-14H2,1-3H3,(H2,27,31)(H,30,34)/t24-,25-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50's at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEV...


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


(Homo sapiens (Human))
BDBM256732
PNG
(US9489013, 3)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)C2(CCN(C2)S(C)(=O)=O)S1(=O)=O
Show InChI InChI=1S/C21H24F2N6O5S2/c1-20(15-10-14(5-6-16(15)23)26-18(30)17-7-4-13(22)11-25-17)21(8-9-29(12-21)35(3,31)32)36(33,34)28(2)19(24)27-20/h4-7,10-11H,8-9,12H2,1-3H3,(H2,24,27)(H,26,30)/t20-,21?/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50's at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEV...


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


(Homo sapiens (Human))
BDBM256758
PNG
(US9489013, 29)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@]2(CCN(Cc3ccncc3)C2)S1(=O)=O
Show InChI InChI=1S/C26H27F2N7O3S/c1-25(20-13-19(4-5-21(20)28)32-23(36)22-6-3-18(27)14-31-22)26(39(37,38)34(2)24(29)33-25)9-12-35(16-26)15-17-7-10-30-11-8-17/h3-8,10-11,13-14H,9,12,15-16H2,1-2H3,(H2,29,33)(H,32,36)/t25-,26-/m1/s1
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9n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50's at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEV...


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


(Homo sapiens (Human))
BDBM256811
PNG
(US9489013, 82)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@]2(CCN(C2)S(=O)(=O)CC2CCCO2)S1(=O)=O
Show InChI InChI=1S/C25H30F2N6O6S2/c1-24(19-12-17(6-7-20(19)27)30-22(34)21-8-5-16(26)13-29-21)25(41(37,38)32(2)23(28)31-24)9-10-33(15-25)40(35,36)14-18-4-3-11-39-18/h5-8,12-13,18H,3-4,9-11,14-15H2,1-2H3,(H2,28,31)(H,30,34)/t18?,24-,25-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50's at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEV...


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


(Homo sapiens (Human))
BDBM256784
PNG
(US9489013, 55)
Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@@]11CCN(C1)S(C)(=O)=O
Show InChI InChI=1S/C22H27FN6O6S2/c1-21(22(9-10-29(13-22)36(4,31)32)37(33,34)28(2)20(24)27-21)16-11-14(5-7-17(16)23)26-19(30)18-8-6-15(35-3)12-25-18/h5-8,11-12H,9-10,13H2,1-4H3,(H2,24,27)(H,26,30)/t21-,22-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50's at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEV...


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


(Homo sapiens (Human))
BDBM256763
PNG
(US9489013, 34)
Show SMILES COC1CC(CN2CC[C@@]3(C2)[C@](C)(NC(=N)N(C)S3(=O)=O)c2cc(NC(=O)c3ccc(F)cn3)ccc2F)C1
Show InChI InChI=1S/C26H32F2N6O4S/c1-25(20-12-18(5-6-21(20)28)31-23(35)22-7-4-17(27)13-30-22)26(39(36,37)33(2)24(29)32-25)8-9-34(15-26)14-16-10-19(11-16)38-3/h4-7,12-13,16,19H,8-11,14-15H2,1-3H3,(H2,29,32)(H,31,35)/t16?,19?,25-,26-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50's at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEV...


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


(Homo sapiens (Human))
BDBM256769
PNG
(US9489013, 40)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@]2(CCN(Cc3cnn(C)c3)C2)S1(=O)=O
Show InChI InChI=1S/C25H28F2N8O3S/c1-24(19-10-18(5-6-20(19)27)31-22(36)21-7-4-17(26)12-29-21)25(39(37,38)34(3)23(28)32-24)8-9-35(15-25)14-16-11-30-33(2)13-16/h4-7,10-13H,8-9,14-15H2,1-3H3,(H2,28,32)(H,31,36)/t24-,25-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50's at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEV...


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


(Homo sapiens (Human))
BDBM256802
PNG
(US9489013, 73)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@]2(CCN(C2)S(=O)(=O)c2ccc(F)cc2)S1(=O)=O
Show InChI InChI=1S/C26H25F3N6O5S2/c1-25(20-13-18(6-9-21(20)29)32-23(36)22-10-5-17(28)14-31-22)26(42(39,40)34(2)24(30)33-25)11-12-35(15-26)41(37,38)19-7-3-16(27)4-8-19/h3-10,13-14H,11-12,15H2,1-2H3,(H2,30,33)(H,32,36)/t25-,26-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50's at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEV...


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


(Homo sapiens (Human))
BDBM256812
PNG
(US9489013, 83)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@]2(CCN(C2)S(=O)(=O)c2cn[nH]c2)S1(=O)=O
Show InChI InChI=1S/C23H24F2N8O5S2/c1-22(17-9-15(4-5-18(17)25)30-20(34)19-6-3-14(24)10-27-19)23(40(37,38)32(2)21(26)31-22)7-8-33(13-23)39(35,36)16-11-28-29-12-16/h3-6,9-12H,7-8,13H2,1-2H3,(H2,26,31)(H,28,29)(H,30,34)/t22-,23-/m1/s1
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11n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50's at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEV...


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


(Homo sapiens (Human))
BDBM256740
PNG
(US9489013, 11)
Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@@]11CCN(Cc2cccnc2)C1
Show InChI InChI=1S/C27H30FN7O4S/c1-26(21-13-19(6-8-22(21)28)32-24(36)23-9-7-20(39-3)15-31-23)27(40(37,38)34(2)25(29)33-26)10-12-35(17-27)16-18-5-4-11-30-14-18/h4-9,11,13-15H,10,12,16-17H2,1-3H3,(H2,29,33)(H,32,36)/t26-,27-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50's at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEV...


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


(Homo sapiens (Human))
BDBM256792
PNG
(US9489013, 63)
Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@]11CCN(C1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C27H29FN6O6S2/c1-26(21-15-18(9-11-22(21)28)31-24(35)23-12-10-19(40-3)16-30-23)27(42(38,39)33(2)25(29)32-26)13-14-34(17-27)41(36,37)20-7-5-4-6-8-20/h4-12,15-16H,13-14,17H2,1-3H3,(H2,29,32)(H,31,35)/t26-,27+/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...


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


(Homo sapiens (Human))
BDBM256739
PNG
(US9489013, 10)
Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@@]11CCN(Cc2ccccn2)C1
Show InChI InChI=1S/C27H30FN7O4S/c1-26(21-14-18(7-9-22(21)28)32-24(36)23-10-8-20(39-3)15-31-23)27(40(37,38)34(2)25(29)33-26)11-13-35(17-27)16-19-6-4-5-12-30-19/h4-10,12,14-15H,11,13,16-17H2,1-3H3,(H2,29,33)(H,32,36)/t26-,27-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50's at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEV...


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


(Homo sapiens (Human))
BDBM256737
PNG
(US9489013, 8)
Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@@]11CCN(Cc2cscn2)C1
Show InChI InChI=1S/C25H28FN7O4S2/c1-24(19-10-16(4-6-20(19)26)30-22(34)21-7-5-18(37-3)11-28-21)25(39(35,36)32(2)23(27)31-24)8-9-33(14-25)12-17-13-38-15-29-17/h4-7,10-11,13,15H,8-9,12,14H2,1-3H3,(H2,27,31)(H,30,34)/t24-,25-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50's at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEV...


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


(Homo sapiens (Human))
BDBM256777
PNG
(US9489013, 48)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@@]2(CCN(CCC(F)(F)F)C2)S1(=O)=O
Show InChI InChI=1S/C23H25F5N6O3S/c1-21(16-11-15(4-5-17(16)25)31-19(35)18-6-3-14(24)12-30-18)22(38(36,37)33(2)20(29)32-21)7-9-34(13-22)10-8-23(26,27)28/h3-6,11-12H,7-10,13H2,1-2H3,(H2,29,32)(H,31,35)/t21-,22+/m1/s1
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14n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50's at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEV...


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


(Homo sapiens (Human))
BDBM256816
PNG
(US9489013, 87)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@@]2(CCN(C2)S(=O)(=O)c2cn[nH]c2)S1(=O)=O
Show InChI InChI=1S/C23H24F2N8O5S2/c1-22(17-9-15(4-5-18(17)25)30-20(34)19-6-3-14(24)10-27-19)23(40(37,38)32(2)21(26)31-22)7-8-33(13-23)39(35,36)16-11-28-29-12-16/h3-6,9-12H,7-8,13H2,1-2H3,(H2,26,31)(H,28,29)(H,30,34)/t22-,23+/m1/s1
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15n/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...


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


(Homo sapiens (Human))
BDBM256754
PNG
(US9489013, 25)
Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@]11CCN(CCC(F)(F)F)C1
Show InChI InChI=1S/C24H28F4N6O4S/c1-22(17-12-15(4-6-18(17)25)31-20(35)19-7-5-16(38-3)13-30-19)23(39(36,37)33(2)21(29)32-22)8-10-34(14-23)11-9-24(26,27)28/h4-7,12-13H,8-11,14H2,1-3H3,(H2,29,32)(H,31,35)/t22-,23+/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...


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


(Homo sapiens (Human))
BDBM256820
PNG
(US9489013, 91)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@@]2(CCN(C2)S(=O)(=O)c2ccccc2)S1(=O)=O
Show InChI InChI=1S/C26H26F2N6O5S2/c1-25(20-14-18(9-10-21(20)28)31-23(35)22-11-8-17(27)15-30-22)26(41(38,39)33(2)24(29)32-25)12-13-34(16-26)40(36,37)19-6-4-3-5-7-19/h3-11,14-15H,12-13,16H2,1-2H3,(H2,29,32)(H,31,35)/t25-,26+/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...


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


(Homo sapiens (Human))
BDBM256788
PNG
(US9489013, 59)
Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@@]11CCN(C1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C27H29FN6O6S2/c1-26(21-15-18(9-11-22(21)28)31-24(35)23-12-10-19(40-3)16-30-23)27(42(38,39)33(2)25(29)32-26)13-14-34(17-27)41(36,37)20-7-5-4-6-8-20/h4-12,15-16H,13-14,17H2,1-3H3,(H2,29,32)(H,31,35)/t26-,27-/m1/s1
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16n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50's at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEV...


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


(Homo sapiens (Human))
BDBM256744
PNG
(US9489013, 15)
Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@@]11CCN(Cc2cncnc2)C1
Show InChI InChI=1S/C26H29FN8O4S/c1-25(20-10-18(4-6-21(20)27)32-23(36)22-7-5-19(39-3)13-31-22)26(40(37,38)34(2)24(28)33-25)8-9-35(15-26)14-17-11-29-16-30-12-17/h4-7,10-13,16H,8-9,14-15H2,1-3H3,(H2,28,33)(H,32,36)/t25-,26-/m1/s1
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17n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50's at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEV...


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


(Homo sapiens (Human))
BDBM256791
PNG
(US9489013, 62)
Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@@]11CCN(C1)S(=O)(=O)CC1CCCO1
Show InChI InChI=1S/C26H33FN6O7S2/c1-25(20-13-17(6-8-21(20)27)30-23(34)22-9-7-18(39-3)14-29-22)26(42(37,38)32(2)24(28)31-25)10-11-33(16-26)41(35,36)15-19-5-4-12-40-19/h6-9,13-14,19H,4-5,10-12,15-16H2,1-3H3,(H2,28,31)(H,30,34)/t19?,25-,26-/m1/s1
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19n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50's at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEV...


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


(Homo sapiens (Human))
BDBM256823
PNG
(US9489013, 94)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@@]2(CCN(C2)S(=O)(=O)c2cn(C)cn2)S1(=O)=O
Show InChI InChI=1S/C24H26F2N8O5S2/c1-23(17-10-16(5-6-18(17)26)30-21(35)19-7-4-15(25)11-28-19)24(41(38,39)33(3)22(27)31-23)8-9-34(13-24)40(36,37)20-12-32(2)14-29-20/h4-7,10-12,14H,8-9,13H2,1-3H3,(H2,27,31)(H,30,35)/t23-,24+/m1/s1
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19n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50's at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEV...


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


(Homo sapiens (Human))
BDBM256731
PNG
(US9489013, 2)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)C2(CCNC2)S1(=O)=O
Show InChI InChI=1S/C20H22F2N6O3S/c1-19(20(7-8-24-11-20)32(30,31)28(2)18(23)27-19)14-9-13(4-5-15(14)22)26-17(29)16-6-3-12(21)10-25-16/h3-6,9-10,24H,7-8,11H2,1-2H3,(H2,23,27)(H,26,29)/t19-,20?/m1/s1
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19.5n/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...


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


(Homo sapiens (Human))
BDBM256822
PNG
(US9489013, 93)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@@]2(CCN(C2)S(=O)(=O)Cc2cccnc2)S1(=O)=O
Show InChI InChI=1S/C26H27F2N7O5S2/c1-25(20-12-19(6-7-21(20)28)32-23(36)22-8-5-18(27)14-31-22)26(42(39,40)34(2)24(29)33-25)9-11-35(16-26)41(37,38)15-17-4-3-10-30-13-17/h3-8,10,12-14H,9,11,15-16H2,1-2H3,(H2,29,33)(H,32,36)/t25-,26+/m1/s1
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20n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50's at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEV...


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


(Homo sapiens (Human))
BDBM256815
PNG
(US9489013, 86)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@@]2(CCN(C2)S(=O)(=O)CC2CCCO2)S1(=O)=O
Show InChI InChI=1S/C25H30F2N6O6S2/c1-24(19-12-17(6-7-20(19)27)30-22(34)21-8-5-16(26)13-29-21)25(41(37,38)32(2)23(28)31-24)9-10-33(15-25)40(35,36)14-18-4-3-11-39-18/h5-8,12-13,18H,3-4,9-11,14-15H2,1-2H3,(H2,28,31)(H,30,34)/t18?,24-,25+/m1/s1
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20n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50's at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEV...


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


(Homo sapiens (Human))
BDBM256748
PNG
(US9489013, 19)
Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@]11CCN(Cc2cscn2)C1
Show InChI InChI=1S/C25H28FN7O4S2/c1-24(19-10-16(4-6-20(19)26)30-22(34)21-7-5-18(37-3)11-28-21)25(39(35,36)32(2)23(27)31-24)8-9-33(14-25)12-17-13-38-15-29-17/h4-7,10-11,13,15H,8-9,12,14H2,1-3H3,(H2,27,31)(H,30,34)/t24-,25+/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...


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


(Homo sapiens (Human))
BDBM256787
PNG
(US9489013, 58)
Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@@]11CCN(C1)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C27H28F2N6O6S2/c1-26(21-14-18(6-10-22(21)29)32-24(36)23-11-7-19(41-3)15-31-23)27(43(39,40)34(2)25(30)33-26)12-13-35(16-27)42(37,38)20-8-4-17(28)5-9-20/h4-11,14-15H,12-13,16H2,1-3H3,(H2,30,33)(H,32,36)/t26-,27-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50's at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEV...


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


(Homo sapiens (Human))
BDBM256796
PNG
(US9489013, 67)
Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@]11CCN(C1)S(=O)(=O)c1cn[nH]c1
Show InChI InChI=1S/C24H27FN8O6S2/c1-23(18-10-15(4-6-19(18)25)30-21(34)20-7-5-16(39-3)11-27-20)24(41(37,38)32(2)22(26)31-23)8-9-33(14-24)40(35,36)17-12-28-29-13-17/h4-7,10-13H,8-9,14H2,1-3H3,(H2,26,31)(H,28,29)(H,30,34)/t23-,24+/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...


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


(Homo sapiens (Human))
BDBM256778
PNG
(US9489013, 49)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@@]2(CCN(Cc3cocn3)C2)S1(=O)=O
Show InChI InChI=1S/C24H25F2N7O4S/c1-23(18-9-16(4-5-19(18)26)30-21(34)20-6-3-15(25)10-28-20)24(38(35,36)32(2)22(27)31-23)7-8-33(13-24)11-17-12-37-14-29-17/h3-6,9-10,12,14H,7-8,11,13H2,1-2H3,(H2,27,31)(H,30,34)/t23-,24+/m1/s1
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21n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50's at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEV...


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


(Homo sapiens (Human))
BDBM256746
PNG
(US9489013, 17)
Show SMILES COC1CC(CN2CC[C@@]3(C2)[C@](C)(NC(=N)N(C)S3(=O)=O)c2cc(NC(=O)c3ccc(OC)cn3)ccc2F)C1
Show InChI InChI=1S/C27H35FN6O5S/c1-26(21-13-18(5-7-22(21)28)31-24(35)23-8-6-19(38-3)14-30-23)27(40(36,37)33(2)25(29)32-26)9-10-34(16-27)15-17-11-20(12-17)39-4/h5-8,13-14,17,20H,9-12,15-16H2,1-4H3,(H2,29,32)(H,31,35)/t17?,20?,26-,27-/m1/s1
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21n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50's at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEV...


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


(Homo sapiens (Human))
BDBM256825
PNG
(US9489013, 96)
Show SMILES COCC(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(Cc2ccccc2)S(=O)(=O)[C@@]11CCN(Cc2ccccc2)C1
Show InChI InChI=1S/C30H34FN5O4S/c1-29(25-17-24(13-14-26(25)31)33-27(37)20-40-2)30(15-16-35(21-30)18-22-9-5-3-6-10-22)41(38,39)36(28(32)34-29)19-23-11-7-4-8-12-23/h3-14,17H,15-16,18-21H2,1-2H3,(H2,32,34)(H,33,37)/t29-,30-/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...


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


(Homo sapiens (Human))
BDBM256777
PNG
(US9489013, 48)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@@]2(CCN(CCC(F)(F)F)C2)S1(=O)=O
Show InChI InChI=1S/C23H25F5N6O3S/c1-21(16-11-15(4-5-17(16)25)31-19(35)18-6-3-14(24)12-30-18)22(38(36,37)33(2)20(29)32-21)7-9-34(13-22)10-8-23(26,27)28/h3-6,11-12H,7-10,13H2,1-2H3,(H2,29,32)(H,31,35)/t21-,22+/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...


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


(Homo sapiens (Human))
BDBM256774
PNG
(US9489013, 45)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@@]2(CCN(Cc3ccccn3)C2)S1(=O)=O
Show InChI InChI=1S/C26H27F2N7O3S/c1-25(20-13-18(7-8-21(20)28)32-23(36)22-9-6-17(27)14-31-22)26(39(37,38)34(2)24(29)33-25)10-12-35(16-26)15-19-5-3-4-11-30-19/h3-9,11,13-14H,10,12,15-16H2,1-2H3,(H2,29,33)(H,32,36)/t25-,26+/m1/s1
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23n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50's at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEV...


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


(Homo sapiens (Human))
BDBM256792
PNG
(US9489013, 63)
Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@]11CCN(C1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C27H29FN6O6S2/c1-26(21-15-18(9-11-22(21)28)31-24(35)23-12-10-19(40-3)16-30-23)27(42(38,39)33(2)25(29)32-26)13-14-34(17-27)41(36,37)20-7-5-4-6-8-20/h4-12,15-16H,13-14,17H2,1-3H3,(H2,29,32)(H,31,35)/t26-,27+/m1/s1
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24n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50's at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEV...


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


(Homo sapiens (Human))
BDBM256800
PNG
(US9489013, 71)
Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@]11CCN(C1)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C27H28F2N6O6S2/c1-26(21-14-18(6-10-22(21)29)32-24(36)23-11-7-19(41-3)15-31-23)27(43(39,40)34(2)25(30)33-26)12-13-35(16-27)42(37,38)20-8-4-17(28)5-9-20/h4-11,14-15H,12-13,16H2,1-3H3,(H2,30,33)(H,32,36)/t26-,27+/m1/s1
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Merck Sharp & Dohme Corp.

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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...


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


(Homo sapiens (Human))
BDBM256810
PNG
(US9489013, 81)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@]2(CCN(C2)S(=O)(=O)c2cn(C)cn2)S1(=O)=O
Show InChI InChI=1S/C24H26F2N8O5S2/c1-23(17-10-16(5-6-18(17)26)30-21(35)19-7-4-15(25)11-28-19)24(41(38,39)33(3)22(27)31-23)8-9-34(13-24)40(36,37)20-12-32(2)14-29-20/h4-7,10-12,14H,8-9,13H2,1-3H3,(H2,27,31)(H,30,35)/t23-,24-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50's at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEV...


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


(Homo sapiens (Human))
BDBM256771
PNG
(US9489013, 42)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@@]2(CCN(Cc3cscn3)C2)S1(=O)=O
Show InChI InChI=1S/C24H25F2N7O3S2/c1-23(18-9-16(4-5-19(18)26)30-21(34)20-6-3-15(25)10-28-20)24(38(35,36)32(2)22(27)31-23)7-8-33(13-24)11-17-12-37-14-29-17/h3-6,9-10,12,14H,7-8,11,13H2,1-2H3,(H2,27,31)(H,30,34)/t23-,24+/m1/s1
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Merck Sharp & Dohme Corp.

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Assay Description
Inhibitor IC50's at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEV...


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


(Homo sapiens (Human))
BDBM256824
PNG
(US9489013, 95)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@@]2(CCN(C2)S(=O)(=O)c2ccc(F)cc2)S1(=O)=O
Show InChI InChI=1S/C26H25F3N6O5S2/c1-25(20-13-18(6-9-21(20)29)32-23(36)22-10-5-17(28)14-31-22)26(42(39,40)34(2)24(30)33-25)11-12-35(15-26)41(37,38)19-7-3-16(27)4-8-19/h3-10,13-14H,11-12,15H2,1-2H3,(H2,30,33)(H,32,36)/t25-,26+/m1/s1
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Merck Sharp & Dohme Corp.

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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...


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


(Homo sapiens (Human))
BDBM256825
PNG
(US9489013, 96)
Show SMILES COCC(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(Cc2ccccc2)S(=O)(=O)[C@@]11CCN(Cc2ccccc2)C1
Show InChI InChI=1S/C30H34FN5O4S/c1-29(25-17-24(13-14-26(25)31)33-27(37)20-40-2)30(15-16-35(21-30)18-22-9-5-3-6-10-22)41(38,39)36(28(32)34-29)19-23-11-7-4-8-12-23/h3-14,17H,15-16,18-21H2,1-2H3,(H2,32,34)(H,33,37)/t29-,30-/m1/s1
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Merck Sharp & Dohme Corp.

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Assay Description
Inhibitor IC50's at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEV...


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


(Homo sapiens (Human))
BDBM256751
PNG
(US9489013, 22)
Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@]11CCN(Cc2ccccn2)C1
Show InChI InChI=1S/C27H30FN7O4S/c1-26(21-14-18(7-9-22(21)28)32-24(36)23-10-8-20(39-3)15-31-23)27(40(37,38)34(2)25(29)33-26)11-13-35(17-27)16-19-6-4-5-12-30-19/h4-10,12,14-15H,11,13,16-17H2,1-3H3,(H2,29,33)(H,32,36)/t26-,27+/m1/s1
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Merck Sharp & Dohme Corp.

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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...


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


(Homo sapiens (Human))
BDBM256745
PNG
(US9489013, 16)
Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@@]11CCN(Cc2cnn(C)c2)C1
Show InChI InChI=1S/C26H31FN8O4S/c1-25(20-11-18(5-7-21(20)27)31-23(36)22-8-6-19(39-4)13-29-22)26(40(37,38)34(3)24(28)32-25)9-10-35(16-26)15-17-12-30-33(2)14-17/h5-8,11-14H,9-10,15-16H2,1-4H3,(H2,28,32)(H,31,36)/t25-,26-/m1/s1
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Merck Sharp & Dohme Corp.

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Assay Description
Inhibitor IC50's at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEV...


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


(Homo sapiens (Human))
BDBM256757
PNG
(US9489013, 28)
Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@]11CCN(Cc2cnco2)C1
Show InChI InChI=1S/C25H28FN7O5S/c1-24(19-10-16(4-6-20(19)26)30-22(34)21-7-5-17(37-3)12-29-21)25(39(35,36)32(2)23(27)31-24)8-9-33(14-25)13-18-11-28-15-38-18/h4-7,10-12,15H,8-9,13-14H2,1-3H3,(H2,27,31)(H,30,34)/t24-,25+/m1/s1
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Merck Sharp & Dohme Corp.

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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...


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


(Homo sapiens (Human))
BDBM256801
PNG
(US9489013, 72)
Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@]11CCN(C1)S(=O)(=O)CC(F)(F)F
Show InChI InChI=1S/C23H26F4N6O6S2/c1-21(16-10-14(4-6-17(16)24)30-19(34)18-7-5-15(39-3)11-29-18)22(41(37,38)32(2)20(28)31-21)8-9-33(12-22)40(35,36)13-23(25,26)27/h4-7,10-11H,8-9,12-13H2,1-3H3,(H2,28,31)(H,30,34)/t21-,22+/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...


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


(Homo sapiens (Human))
BDBM256822
PNG
(US9489013, 93)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@@]2(CCN(C2)S(=O)(=O)Cc2cccnc2)S1(=O)=O
Show InChI InChI=1S/C26H27F2N7O5S2/c1-25(20-12-19(6-7-21(20)28)32-23(36)22-8-5-18(27)14-31-22)26(42(39,40)34(2)24(29)33-25)9-11-35(16-26)41(37,38)15-17-4-3-10-30-13-17/h3-8,10,12-14H,9,11,15-16H2,1-2H3,(H2,29,33)(H,32,36)/t25-,26+/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...


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


(Homo sapiens (Human))
BDBM256821
PNG
(US9489013, 92)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@@]2(CCN(C2)S(=O)(=O)C2CC2)S1(=O)=O
Show InChI InChI=1S/C23H26F2N6O5S2/c1-22(17-11-15(4-7-18(17)25)28-20(32)19-8-3-14(24)12-27-19)23(38(35,36)30(2)21(26)29-22)9-10-31(13-23)37(33,34)16-5-6-16/h3-4,7-8,11-12,16H,5-6,9-10,13H2,1-2H3,(H2,26,29)(H,28,32)/t22-,23+/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50's at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEV...


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


(Homo sapiens (Human))
BDBM256794
PNG
(US9489013, 65)
Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@]11CCN(C1)S(=O)(=O)c1cn(C)cn1
Show InChI InChI=1S/C25H29FN8O6S2/c1-24(18-11-16(5-7-19(18)26)30-22(35)20-8-6-17(40-4)12-28-20)25(42(38,39)33(3)23(27)31-24)9-10-34(14-25)41(36,37)21-13-32(2)15-29-21/h5-8,11-13,15H,9-10,14H2,1-4H3,(H2,27,31)(H,30,35)/t24-,25+/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...


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


(Homo sapiens (Human))
BDBM256819
PNG
(US9489013, 90)
Show SMILES CC(C)CS(=O)(=O)N1CC[C@]2(C1)[C@](C)(NC(=N)N(C)S2(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F
Show InChI InChI=1S/C24H30F2N6O5S2/c1-15(2)13-38(34,35)32-10-9-24(14-32)23(3,30-22(27)31(4)39(24,36)37)18-11-17(6-7-19(18)26)29-21(33)20-8-5-16(25)12-28-20/h5-8,11-12,15H,9-10,13-14H2,1-4H3,(H2,27,30)(H,29,33)/t23-,24+/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50's at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEV...


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


(Homo sapiens (Human))
BDBM256800
PNG
(US9489013, 71)
Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@]11CCN(C1)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C27H28F2N6O6S2/c1-26(21-14-18(6-10-22(21)29)32-24(36)23-11-7-19(41-3)15-31-23)27(43(39,40)34(2)25(30)33-26)12-13-35(16-27)42(37,38)20-8-4-17(28)5-9-20/h4-11,14-15H,12-13,16H2,1-3H3,(H2,30,33)(H,32,36)/t26-,27+/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50's at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEV...


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


(Homo sapiens (Human))
BDBM256731
PNG
(US9489013, 2)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)C2(CCNC2)S1(=O)=O
Show InChI InChI=1S/C20H22F2N6O3S/c1-19(20(7-8-24-11-20)32(30,31)28(2)18(23)27-19)14-9-13(4-5-15(14)22)26-17(29)16-6-3-12(21)10-25-16/h3-6,9-10,24H,7-8,11H2,1-2H3,(H2,23,27)(H,26,29)/t19-,20?/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50's at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEV...


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


(Homo sapiens (Human))
BDBM256752
PNG
(US9489013, 23)
Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@]11CCN(Cc2cccnc2)C1
Show InChI InChI=1S/C27H30FN7O4S/c1-26(21-13-19(6-8-22(21)28)32-24(36)23-9-7-20(39-3)15-31-23)27(40(37,38)34(2)25(29)33-26)10-12-35(17-27)16-18-5-4-11-30-14-18/h4-9,11,13-15H,10,12,16-17H2,1-3H3,(H2,29,33)(H,32,36)/t26-,27+/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...


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


(Homo sapiens (Human))
BDBM256771
PNG
(US9489013, 42)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@@]2(CCN(Cc3cscn3)C2)S1(=O)=O
Show InChI InChI=1S/C24H25F2N7O3S2/c1-23(18-9-16(4-5-19(18)26)30-21(34)20-6-3-15(25)10-28-20)24(38(35,36)32(2)22(27)31-23)7-8-33(13-24)11-17-12-37-14-29-17/h3-6,9-10,12,14H,7-8,11,13H2,1-2H3,(H2,27,31)(H,30,34)/t23-,24+/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...


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


(Homo sapiens (Human))
BDBM256795
PNG
(US9489013, 66)
Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@]11CCN(C1)S(=O)(=O)CC1CCCO1
Show InChI InChI=1S/C26H33FN6O7S2/c1-25(20-13-17(6-8-21(20)27)30-23(34)22-9-7-18(39-3)14-29-22)26(42(37,38)32(2)24(28)31-25)10-11-33(16-26)41(35,36)15-19-5-4-12-40-19/h6-9,13-14,19H,4-5,10-12,15-16H2,1-3H3,(H2,28,31)(H,30,34)/t19?,25-,26+/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...


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


(Homo sapiens (Human))
BDBM256774
PNG
(US9489013, 45)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@@]2(CCN(Cc3ccccn3)C2)S1(=O)=O
Show InChI InChI=1S/C26H27F2N7O3S/c1-25(20-13-18(7-8-21(20)28)32-23(36)22-9-6-17(27)14-31-22)26(39(37,38)34(2)24(29)33-25)10-12-35(16-26)15-19-5-3-4-11-30-19/h3-9,11,13-14H,10,12,15-16H2,1-2H3,(H2,29,33)(H,32,36)/t25-,26+/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...


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


(Homo sapiens (Human))
BDBM256798
PNG
(US9489013, 69)
Show SMILES CCS(=O)(=O)N1CC[C@]2(C1)[C@](C)(NC(=N)N(C)S2(=O)=O)c1cc(NC(=O)c2ccc(OC)cn2)ccc1F
Show InChI InChI=1S/C23H29FN6O6S2/c1-5-37(32,33)30-11-10-23(14-30)22(2,28-21(25)29(3)38(23,34)35)17-12-15(6-8-18(17)24)27-20(31)19-9-7-16(36-4)13-26-19/h6-9,12-13H,5,10-11,14H2,1-4H3,(H2,25,28)(H,27,31)/t22-,23+/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...


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


(Homo sapiens (Human))
BDBM256778
PNG
(US9489013, 49)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@@]2(CCN(Cc3cocn3)C2)S1(=O)=O
Show InChI InChI=1S/C24H25F2N7O4S/c1-23(18-9-16(4-5-19(18)26)30-21(34)20-6-3-15(25)10-28-20)24(38(35,36)32(2)22(27)31-23)7-8-33(13-24)11-17-12-37-14-29-17/h3-6,9-10,12,14H,7-8,11,13H2,1-2H3,(H2,27,31)(H,30,34)/t23-,24+/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...


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


(Homo sapiens (Human))
BDBM256753
PNG
(US9489013, 24)
Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@]11CCN(CC2CC2)C1
Show InChI InChI=1S/C25H31FN6O4S/c1-24(19-12-17(6-8-20(19)26)29-22(33)21-9-7-18(36-3)13-28-21)25(37(34,35)31(2)23(27)30-24)10-11-32(15-25)14-16-4-5-16/h6-9,12-13,16H,4-5,10-11,14-15H2,1-3H3,(H2,27,30)(H,29,33)/t24-,25+/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...


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


(Homo sapiens (Human))
BDBM256817
PNG
(US9489013, 88)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@@]2(CCN(C2)S(C)(=O)=O)S1(=O)=O
Show InChI InChI=1S/C21H24F2N6O5S2/c1-20(15-10-14(5-6-16(15)23)26-18(30)17-7-4-13(22)11-25-17)21(8-9-29(12-21)35(3,31)32)36(33,34)28(2)19(24)27-20/h4-7,10-11H,8-9,12H2,1-3H3,(H2,24,27)(H,26,30)/t20-,21+/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...


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


(Homo sapiens (Human))
BDBM256797
PNG
(US9489013, 68)
Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@]11CCN(C1)S(C)(=O)=O
Show InChI InChI=1S/C22H27FN6O6S2/c1-21(22(9-10-29(13-22)36(4,31)32)37(33,34)28(2)20(24)27-21)16-11-14(5-7-17(16)23)26-19(30)18-8-6-15(35-3)12-25-18/h5-8,11-12H,9-10,13H2,1-4H3,(H2,24,27)(H,26,30)/t21-,22+/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...


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


(Homo sapiens (Human))
BDBM256823
PNG
(US9489013, 94)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@@]2(CCN(C2)S(=O)(=O)c2cn(C)cn2)S1(=O)=O
Show InChI InChI=1S/C24H26F2N8O5S2/c1-23(17-10-16(5-6-18(17)26)30-21(35)19-7-4-15(25)11-28-19)24(41(38,39)33(3)22(27)31-23)8-9-34(13-24)40(36,37)20-12-32(2)14-29-20/h4-7,10-12,14H,8-9,13H2,1-3H3,(H2,27,31)(H,30,35)/t23-,24+/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...


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


(Homo sapiens (Human))
BDBM256799
PNG
(US9489013, 70)
Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@]11CCN(C1)S(=O)(=O)CC(C)C
Show InChI InChI=1S/C25H33FN6O6S2/c1-16(2)14-39(34,35)32-11-10-25(15-32)24(3,30-23(27)31(4)40(25,36)37)19-12-17(6-8-20(19)26)29-22(33)21-9-7-18(38-5)13-28-21/h6-9,12-13,16H,10-11,14-15H2,1-5H3,(H2,27,30)(H,29,33)/t24-,25+/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...


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


(Homo sapiens (Human))
BDBM256814
PNG
(US9489013, 85)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@@]2(CCN(C2)S(=O)(=O)C2CCCC2)S1(=O)=O
Show InChI InChI=1S/C25H30F2N6O5S2/c1-24(19-13-17(8-9-20(19)27)30-22(34)21-10-7-16(26)14-29-21)25(40(37,38)32(2)23(28)31-24)11-12-33(15-25)39(35,36)18-5-3-4-6-18/h7-10,13-14,18H,3-6,11-12,15H2,1-2H3,(H2,28,31)(H,30,34)/t24-,25+/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50's at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEV...


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


(Homo sapiens (Human))
BDBM256790
PNG
(US9489013, 61)
Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@@]11CCN(C1)S(=O)(=O)c1cn(C)cn1
Show InChI InChI=1S/C25H29FN8O6S2/c1-24(18-11-16(5-7-19(18)26)30-22(35)20-8-6-17(40-4)12-28-20)25(42(38,39)33(3)23(27)31-24)9-10-34(14-25)41(36,37)21-13-32(2)15-29-21/h5-8,11-13,15H,9-10,14H2,1-4H3,(H2,27,31)(H,30,35)/t24-,25-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50's at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEV...


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


(Homo sapiens (Human))
BDBM256793
PNG
(US9489013, 64)
Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@]11CCN(C1)S(=O)(=O)C1CC1
Show InChI InChI=1S/C24H29FN6O6S2/c1-23(18-12-15(4-8-19(18)25)28-21(32)20-9-5-16(37-3)13-27-20)24(39(35,36)30(2)22(26)29-23)10-11-31(14-24)38(33,34)17-6-7-17/h4-5,8-9,12-13,17H,6-7,10-11,14H2,1-3H3,(H2,26,29)(H,28,32)/t23-,24+/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...


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


(Homo sapiens (Human))
BDBM256775
PNG
(US9489013, 46)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@@]2(CCN(Cc3cccnc3)C2)S1(=O)=O
Show InChI InChI=1S/C26H27F2N7O3S/c1-25(20-12-19(6-7-21(20)28)32-23(36)22-8-5-18(27)14-31-22)26(39(37,38)34(2)24(29)33-25)9-11-35(16-26)15-17-4-3-10-30-13-17/h3-8,10,12-14H,9,11,15-16H2,1-2H3,(H2,29,33)(H,32,36)/t25-,26+/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50's at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEV...


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


(Homo sapiens (Human))
BDBM256796
PNG
(US9489013, 67)
Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@]11CCN(C1)S(=O)(=O)c1cn[nH]c1
Show InChI InChI=1S/C24H27FN8O6S2/c1-23(18-10-15(4-6-19(18)25)30-21(34)20-7-5-16(39-3)11-27-20)24(41(37,38)32(2)22(26)31-23)8-9-33(14-24)40(35,36)17-12-28-29-13-17/h4-7,10-13H,8-9,14H2,1-3H3,(H2,26,31)(H,28,29)(H,30,34)/t23-,24+/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50's at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEV...


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


(Homo sapiens (Human))
BDBM256818
PNG
(US9489013, 89)
Show SMILES CCS(=O)(=O)N1CC[C@]2(C1)[C@](C)(NC(=N)N(C)S2(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F
Show InChI InChI=1S/C22H26F2N6O5S2/c1-4-36(32,33)30-10-9-22(13-30)21(2,28-20(25)29(3)37(22,34)35)16-11-15(6-7-17(16)24)27-19(31)18-8-5-14(23)12-26-18/h5-8,11-12H,4,9-10,13H2,1-3H3,(H2,25,28)(H,27,31)/t21-,22+/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50's at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEV...


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


(Homo sapiens (Human))
BDBM256814
PNG
(US9489013, 85)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@@]2(CCN(C2)S(=O)(=O)C2CCCC2)S1(=O)=O
Show InChI InChI=1S/C25H30F2N6O5S2/c1-24(19-13-17(8-9-20(19)27)30-22(34)21-10-7-16(26)14-29-21)25(40(37,38)32(2)23(28)31-24)11-12-33(15-25)39(35,36)18-5-3-4-6-18/h7-10,13-14,18H,3-6,11-12,15H2,1-2H3,(H2,28,31)(H,30,34)/t24-,25+/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...


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


(Homo sapiens (Human))
BDBM256821
PNG
(US9489013, 92)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@@]2(CCN(C2)S(=O)(=O)C2CC2)S1(=O)=O
Show InChI InChI=1S/C23H26F2N6O5S2/c1-22(17-11-15(4-7-18(17)25)28-20(32)19-8-3-14(24)12-27-19)23(38(35,36)30(2)21(26)29-22)9-10-31(13-23)37(33,34)16-5-6-16/h3-4,7-8,11-12,16H,5-6,9-10,13H2,1-2H3,(H2,26,29)(H,28,32)/t22-,23+/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...


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


(Homo sapiens (Human))
BDBM256815
PNG
(US9489013, 86)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@@]2(CCN(C2)S(=O)(=O)CC2CCCO2)S1(=O)=O
Show InChI InChI=1S/C25H30F2N6O6S2/c1-24(19-12-17(6-7-20(19)27)30-22(34)21-8-5-16(26)13-29-21)25(41(37,38)32(2)23(28)31-24)9-10-33(15-25)40(35,36)14-18-4-3-11-39-18/h5-8,12-13,18H,3-4,9-11,14-15H2,1-2H3,(H2,28,31)(H,30,34)/t18?,24-,25+/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...


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


(Homo sapiens (Human))
BDBM256818
PNG
(US9489013, 89)
Show SMILES CCS(=O)(=O)N1CC[C@]2(C1)[C@](C)(NC(=N)N(C)S2(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F
Show InChI InChI=1S/C22H26F2N6O5S2/c1-4-36(32,33)30-10-9-22(13-30)21(2,28-20(25)29(3)37(22,34)35)16-11-15(6-7-17(16)24)27-19(31)18-8-5-14(23)12-26-18/h5-8,11-12H,4,9-10,13H2,1-3H3,(H2,25,28)(H,27,31)/t21-,22+/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...


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


(Homo sapiens (Human))
BDBM256747
PNG
(US9489013, 18)
Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@]11CCN(Cc2cocn2)C1
Show InChI InChI=1S/C25H28FN7O5S/c1-24(19-10-16(4-6-20(19)26)30-22(34)21-7-5-18(37-3)11-28-21)25(39(35,36)32(2)23(27)31-24)8-9-33(14-25)12-17-13-38-15-29-17/h4-7,10-11,13,15H,8-9,12,14H2,1-3H3,(H2,27,31)(H,30,34)/t24-,25+/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...


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


(Homo sapiens (Human))
BDBM256819
PNG
(US9489013, 90)
Show SMILES CC(C)CS(=O)(=O)N1CC[C@]2(C1)[C@](C)(NC(=N)N(C)S2(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F
Show InChI InChI=1S/C24H30F2N6O5S2/c1-15(2)13-38(34,35)32-10-9-24(14-32)23(3,30-22(27)31(4)39(24,36)37)18-11-17(6-7-19(18)26)29-21(33)20-8-5-16(25)12-28-20/h5-8,11-12,15H,9-10,13-14H2,1-4H3,(H2,27,30)(H,29,33)/t23-,24+/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...


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


(Homo sapiens (Human))
BDBM256755
PNG
(US9489013, 26)
Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@]11CCN(Cc2cncnc2)C1
Show InChI InChI=1S/C26H29FN8O4S/c1-25(20-10-18(4-6-21(20)27)32-23(36)22-7-5-19(39-3)13-31-22)26(40(37,38)34(2)24(28)33-25)8-9-35(15-26)14-17-11-29-16-30-12-17/h4-7,10-13,16H,8-9,14-15H2,1-3H3,(H2,28,33)(H,32,36)/t25-,26+/m1/s1
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51n/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...


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


(Homo sapiens (Human))
BDBM256749
PNG
(US9489013, 20)
Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@]11CCN(CC2CCOC2)C1
Show InChI InChI=1S/C26H33FN6O5S/c1-25(20-12-18(4-6-21(20)27)30-23(34)22-7-5-19(37-3)13-29-22)26(39(35,36)32(2)24(28)31-25)9-10-33(16-26)14-17-8-11-38-15-17/h4-7,12-13,17H,8-11,14-16H2,1-3H3,(H2,28,31)(H,30,34)/t17?,25-,26+/m1/s1
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51n/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...


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


(Homo sapiens (Human))
BDBM256776
PNG
(US9489013, 47)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@@]2(CCN(CC3CC3)C2)S1(=O)=O
Show InChI InChI=1S/C24H28F2N6O3S/c1-23(18-11-17(6-7-19(18)26)29-21(33)20-8-5-16(25)12-28-20)24(36(34,35)31(2)22(27)30-23)9-10-32(14-24)13-15-3-4-15/h5-8,11-12,15H,3-4,9-10,13-14H2,1-2H3,(H2,27,30)(H,29,33)/t23-,24+/m1/s1
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51n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50's at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEV...


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


(Homo sapiens (Human))
BDBM256754
PNG
(US9489013, 25)
Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@]11CCN(CCC(F)(F)F)C1
Show InChI InChI=1S/C24H28F4N6O4S/c1-22(17-12-15(4-6-18(17)25)31-20(35)19-7-5-16(38-3)13-30-19)23(39(36,37)33(2)21(29)32-22)8-10-34(14-23)11-9-24(26,27)28/h4-7,12-13H,8-11,14H2,1-3H3,(H2,29,32)(H,31,35)/t22-,23+/m1/s1
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52n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50's at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEV...


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


(Homo sapiens (Human))
BDBM256773
PNG
(US9489013, 44)
Show SMILES COC1CC(CN2CC[C@]3(C2)[C@](C)(NC(=N)N(C)S3(=O)=O)c2cc(NC(=O)c3ccc(F)cn3)ccc2F)C1
Show InChI InChI=1S/C26H32F2N6O4S/c1-25(20-12-18(5-6-21(20)28)31-23(35)22-7-4-17(27)13-30-22)26(39(36,37)33(2)24(29)32-25)8-9-34(15-26)14-16-10-19(11-16)38-3/h4-7,12-13,16,19H,8-11,14-15H2,1-3H3,(H2,29,32)(H,31,35)/t16?,19?,25-,26+/m1/s1
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52n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50's at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEV...


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


(Homo sapiens (Human))
BDBM256775
PNG
(US9489013, 46)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@@]2(CCN(Cc3cccnc3)C2)S1(=O)=O
Show InChI InChI=1S/C26H27F2N7O3S/c1-25(20-12-19(6-7-21(20)28)32-23(36)22-8-5-18(27)14-31-22)26(39(37,38)34(2)24(29)33-25)9-11-35(16-26)15-17-4-3-10-30-13-17/h3-8,10,12-14H,9,11,15-16H2,1-2H3,(H2,29,33)(H,32,36)/t25-,26+/m1/s1
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54n/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...


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


(Homo sapiens (Human))
BDBM256817
PNG
(US9489013, 88)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@@]2(CCN(C2)S(C)(=O)=O)S1(=O)=O
Show InChI InChI=1S/C21H24F2N6O5S2/c1-20(15-10-14(5-6-16(15)23)26-18(30)17-7-4-13(22)11-25-17)21(8-9-29(12-21)35(3,31)32)36(33,34)28(2)19(24)27-20/h4-7,10-11H,8-9,12H2,1-3H3,(H2,24,27)(H,26,30)/t20-,21+/m1/s1
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54n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50's at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEV...


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


(Homo sapiens (Human))
BDBM256783
PNG
(US9489013, 54)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@@]2(CCN(Cc3cnco3)C2)S1(=O)=O
Show InChI InChI=1S/C24H25F2N7O4S/c1-23(18-9-16(4-5-19(18)26)30-21(34)20-6-3-15(25)10-29-20)24(38(35,36)32(2)22(27)31-23)7-8-33(13-24)12-17-11-28-14-37-17/h3-6,9-11,14H,7-8,12-13H2,1-2H3,(H2,27,31)(H,30,34)/t23-,24+/m1/s1
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54n/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...


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


(Homo sapiens (Human))
BDBM256756
PNG
(US9489013, 27)
Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@]11CCN(Cc2cnn(C)c2)C1
Show InChI InChI=1S/C26H31FN8O4S/c1-25(20-11-18(5-7-21(20)27)31-23(36)22-8-6-19(39-4)13-29-22)26(40(37,38)34(3)24(28)32-25)9-10-35(16-26)15-17-12-30-33(2)14-17/h5-8,11-14H,9-10,15-16H2,1-4H3,(H2,28,32)(H,31,36)/t25-,26+/m1/s1
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54n/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...


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


(Homo sapiens (Human))
BDBM256776
PNG
(US9489013, 47)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@@]2(CCN(CC3CC3)C2)S1(=O)=O
Show InChI InChI=1S/C24H28F2N6O3S/c1-23(18-11-17(6-7-19(18)26)29-21(33)20-8-5-16(25)12-28-20)24(36(34,35)31(2)22(27)30-23)9-10-32(14-24)13-15-3-4-15/h5-8,11-12,15H,3-4,9-10,13-14H2,1-2H3,(H2,27,30)(H,29,33)/t23-,24+/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...


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


(Homo sapiens (Human))
BDBM256782
PNG
(US9489013, 53)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@@]2(CCN(Cc3ccncc3)C2)S1(=O)=O
Show InChI InChI=1S/C26H27F2N7O3S/c1-25(20-13-19(4-5-21(20)28)32-23(36)22-6-3-18(27)14-31-22)26(39(37,38)34(2)24(29)33-25)9-12-35(16-26)15-17-7-10-30-11-8-17/h3-8,10-11,13-14H,9,12,15-16H2,1-2H3,(H2,29,33)(H,32,36)/t25-,26+/m1/s1
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61n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50's at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEV...


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


(Homo sapiens (Human))
BDBM256781
PNG
(US9489013, 52)
Show SMILES CCCCN1CC[C@]2(C1)[C@](C)(NC(=N)N(C)S2(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F
Show InChI InChI=1S/C24H30F2N6O3S/c1-4-5-11-32-12-10-24(15-32)23(2,30-22(27)31(3)36(24,34)35)18-13-17(7-8-19(18)26)29-21(33)20-9-6-16(25)14-28-20/h6-9,13-14H,4-5,10-12,15H2,1-3H3,(H2,27,30)(H,29,33)/t23-,24+/m1/s1
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61n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50's at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEV...


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


(Homo sapiens (Human))
BDBM256794
PNG
(US9489013, 65)
Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@]11CCN(C1)S(=O)(=O)c1cn(C)cn1
Show InChI InChI=1S/C25H29FN8O6S2/c1-24(18-11-16(5-7-19(18)26)30-22(35)20-8-6-17(40-4)12-28-20)25(42(38,39)33(3)23(27)31-24)9-10-34(14-25)41(36,37)21-13-32(2)15-29-21/h5-8,11-13,15H,9-10,14H2,1-4H3,(H2,27,31)(H,30,35)/t24-,25+/m1/s1
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68n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50's at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEV...


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


(Homo sapiens (Human))
BDBM256779
PNG
(US9489013, 50)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@@]2(CCN(Cc3cncnc3)C2)S1(=O)=O
Show InChI InChI=1S/C25H26F2N8O3S/c1-24(19-9-18(4-5-20(19)27)32-22(36)21-6-3-17(26)12-31-21)25(39(37,38)34(2)23(28)33-24)7-8-35(14-25)13-16-10-29-15-30-11-16/h3-6,9-12,15H,7-8,13-14H2,1-2H3,(H2,28,33)(H,32,36)/t24-,25+/m1/s1
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70n/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...


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


(Homo sapiens (Human))
BDBM256748
PNG
(US9489013, 19)
Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@]11CCN(Cc2cscn2)C1
Show InChI InChI=1S/C25H28FN7O4S2/c1-24(19-10-16(4-6-20(19)26)30-22(34)21-7-5-18(37-3)11-28-21)25(39(35,36)32(2)23(27)31-24)8-9-33(14-25)12-17-13-38-15-29-17/h4-7,10-11,13,15H,8-9,12,14H2,1-3H3,(H2,27,31)(H,30,34)/t24-,25+/m1/s1
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70n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50's at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEV...


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


(Homo sapiens (Human))
BDBM256772
PNG
(US9489013, 43)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@@]2(CCN(CC3CCOC3)C2)S1(=O)=O
Show InChI InChI=1S/C25H30F2N6O4S/c1-24(19-11-18(4-5-20(19)27)30-22(34)21-6-3-17(26)12-29-21)25(38(35,36)32(2)23(28)31-24)8-9-33(15-25)13-16-7-10-37-14-16/h3-6,11-12,16H,7-10,13-15H2,1-2H3,(H2,28,31)(H,30,34)/t16?,24-,25+/m1/s1
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72n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50's at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEV...


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


(Homo sapiens (Human))
BDBM256781
PNG
(US9489013, 52)
Show SMILES CCCCN1CC[C@]2(C1)[C@](C)(NC(=N)N(C)S2(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F
Show InChI InChI=1S/C24H30F2N6O3S/c1-4-5-11-32-12-10-24(15-32)23(2,30-22(27)31(3)36(24,34)35)18-13-17(7-8-19(18)26)29-21(33)20-9-6-16(25)14-28-20/h6-9,13-14H,4-5,10-12,15H2,1-3H3,(H2,27,30)(H,29,33)/t23-,24+/m1/s1
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73n/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...


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


(Homo sapiens (Human))
BDBM256783
PNG
(US9489013, 54)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@@]2(CCN(Cc3cnco3)C2)S1(=O)=O
Show InChI InChI=1S/C24H25F2N7O4S/c1-23(18-9-16(4-5-19(18)26)30-21(34)20-6-3-15(25)10-29-20)24(38(35,36)32(2)22(27)31-23)7-8-33(13-24)12-17-11-28-14-37-17/h3-6,9-11,14H,7-8,12-13H2,1-2H3,(H2,27,31)(H,30,34)/t23-,24+/m1/s1
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74n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50's at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEV...


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


(Homo sapiens (Human))
BDBM256779
PNG
(US9489013, 50)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@@]2(CCN(Cc3cncnc3)C2)S1(=O)=O
Show InChI InChI=1S/C25H26F2N8O3S/c1-24(19-9-18(4-5-20(19)27)32-22(36)21-6-3-17(26)12-31-21)25(39(37,38)34(2)23(28)33-24)7-8-35(14-25)13-16-10-29-15-30-11-16/h3-6,9-12,15H,7-8,13-14H2,1-2H3,(H2,28,33)(H,32,36)/t24-,25+/m1/s1
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77n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50's at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEV...


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


(Homo sapiens (Human))
BDBM256751
PNG
(US9489013, 22)
Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@]11CCN(Cc2ccccn2)C1
Show InChI InChI=1S/C27H30FN7O4S/c1-26(21-14-18(7-9-22(21)28)32-24(36)23-10-8-20(39-3)15-31-23)27(40(37,38)34(2)25(29)33-26)11-13-35(17-27)16-19-6-4-5-12-30-19/h4-10,12,14-15H,11,13,16-17H2,1-3H3,(H2,29,33)(H,32,36)/t26-,27+/m1/s1
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79n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50's at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEV...


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


(Homo sapiens (Human))
BDBM256782
PNG
(US9489013, 53)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@@]2(CCN(Cc3ccncc3)C2)S1(=O)=O
Show InChI InChI=1S/C26H27F2N7O3S/c1-25(20-13-19(4-5-21(20)28)32-23(36)22-6-3-18(27)14-31-22)26(39(37,38)34(2)24(29)33-25)9-12-35(16-26)15-17-7-10-30-11-8-17/h3-8,10-11,13-14H,9,12,15-16H2,1-2H3,(H2,29,33)(H,32,36)/t25-,26+/m1/s1
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84n/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...


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


(Homo sapiens (Human))
BDBM256795
PNG
(US9489013, 66)
Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@]11CCN(C1)S(=O)(=O)CC1CCCO1
Show InChI InChI=1S/C26H33FN6O7S2/c1-25(20-13-17(6-8-21(20)27)30-23(34)22-9-7-18(39-3)14-29-22)26(42(37,38)32(2)24(28)31-25)10-11-33(16-26)41(35,36)15-19-5-4-12-40-19/h6-9,13-14,19H,4-5,10-12,15-16H2,1-3H3,(H2,28,31)(H,30,34)/t19?,25-,26+/m1/s1
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87n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50's at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEV...


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


(Homo sapiens (Human))
BDBM256750
PNG
(US9489013, 21)
Show SMILES COC1CC(CN2CC[C@]3(C2)[C@](C)(NC(=N)N(C)S3(=O)=O)c2cc(NC(=O)c3ccc(OC)cn3)ccc2F)C1
Show InChI InChI=1S/C27H35FN6O5S/c1-26(21-13-18(5-7-22(21)28)31-24(35)23-8-6-19(38-3)14-30-23)27(40(36,37)33(2)25(29)32-26)9-10-34(16-27)15-17-11-20(12-17)39-4/h5-8,13-14,17,20H,9-12,15-16H2,1-4H3,(H2,29,32)(H,31,35)/t17?,20?,26-,27+/m1/s1
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91n/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...


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


(Homo sapiens (Human))
BDBM256801
PNG
(US9489013, 72)
Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@]11CCN(C1)S(=O)(=O)CC(F)(F)F
Show InChI InChI=1S/C23H26F4N6O6S2/c1-21(16-10-14(4-6-17(16)24)30-19(34)18-7-5-15(39-3)11-29-18)22(41(37,38)32(2)20(28)31-21)8-9-33(12-22)40(35,36)13-23(25,26)27/h4-7,10-11H,8-9,12-13H2,1-3H3,(H2,28,31)(H,30,34)/t21-,22+/m1/s1
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99n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50's at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEV...


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


(Homo sapiens (Human))
BDBM256799
PNG
(US9489013, 70)
Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@]11CCN(C1)S(=O)(=O)CC(C)C
Show InChI InChI=1S/C25H33FN6O6S2/c1-16(2)14-39(34,35)32-11-10-25(15-32)24(3,30-23(27)31(4)40(25,36)37)19-12-17(6-8-20(19)26)29-22(33)21-9-7-18(38-5)13-28-21/h6-9,12-13,16H,10-11,14-15H2,1-5H3,(H2,27,30)(H,29,33)/t24-,25+/m1/s1
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100n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50's at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEV...


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


(Homo sapiens (Human))
BDBM256772
PNG
(US9489013, 43)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@@]2(CCN(CC3CCOC3)C2)S1(=O)=O
Show InChI InChI=1S/C25H30F2N6O4S/c1-24(19-11-18(4-5-20(19)27)30-22(34)21-6-3-17(26)12-29-21)25(38(35,36)32(2)23(28)31-24)8-9-33(15-25)13-16-7-10-37-14-16/h3-6,11-12,16H,7-10,13-15H2,1-2H3,(H2,28,31)(H,30,34)/t16?,24-,25+/m1/s1
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119n/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...


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


(Homo sapiens (Human))
BDBM256773
PNG
(US9489013, 44)
Show SMILES COC1CC(CN2CC[C@]3(C2)[C@](C)(NC(=N)N(C)S3(=O)=O)c2cc(NC(=O)c3ccc(F)cn3)ccc2F)C1
Show InChI InChI=1S/C26H32F2N6O4S/c1-25(20-12-18(5-6-21(20)28)31-23(35)22-7-4-17(27)13-30-22)26(39(36,37)33(2)24(29)32-25)8-9-34(15-26)14-16-10-19(11-16)38-3/h4-7,12-13,16,19H,8-11,14-15H2,1-3H3,(H2,29,32)(H,31,35)/t16?,19?,25-,26+/m1/s1
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120n/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...


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


(Homo sapiens (Human))
BDBM256753
PNG
(US9489013, 24)
Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@]11CCN(CC2CC2)C1
Show InChI InChI=1S/C25H31FN6O4S/c1-24(19-12-17(6-8-20(19)26)29-22(33)21-9-7-18(36-3)13-28-21)25(37(34,35)31(2)23(27)30-24)10-11-32(15-25)14-16-4-5-16/h6-9,12-13,16H,4-5,10-11,14-15H2,1-3H3,(H2,27,30)(H,29,33)/t24-,25+/m1/s1
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128n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50's at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEV...


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


(Homo sapiens (Human))
BDBM256793
PNG
(US9489013, 64)
Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@]11CCN(C1)S(=O)(=O)C1CC1
Show InChI InChI=1S/C24H29FN6O6S2/c1-23(18-12-15(4-8-19(18)25)28-21(32)20-9-5-16(37-3)13-27-20)24(39(35,36)30(2)22(26)29-23)10-11-31(14-24)38(33,34)17-6-7-17/h4-5,8-9,12-13,17H,6-7,10-11,14H2,1-3H3,(H2,26,29)(H,28,32)/t23-,24+/m1/s1
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140n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50's at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEV...


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


(Homo sapiens (Human))
BDBM256752
PNG
(US9489013, 23)
Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@]11CCN(Cc2cccnc2)C1
Show InChI InChI=1S/C27H30FN7O4S/c1-26(21-13-19(6-8-22(21)28)32-24(36)23-9-7-20(39-3)15-31-23)27(40(37,38)34(2)25(29)33-26)10-12-35(17-27)16-18-5-4-11-30-14-18/h4-9,11,13-15H,10,12,16-17H2,1-3H3,(H2,29,33)(H,32,36)/t26-,27+/m1/s1
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142n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50's at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEV...


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


(Homo sapiens (Human))
BDBM256780
PNG
(US9489013, 51)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@@]2(CCN(Cc3cnn(C)c3)C2)S1(=O)=O
Show InChI InChI=1S/C25H28F2N8O3S/c1-24(19-10-18(5-6-20(19)27)31-22(36)21-7-4-17(26)12-29-21)25(39(37,38)34(3)23(28)32-24)8-9-35(15-25)14-16-11-30-33(2)13-16/h4-7,10-13H,8-9,14-15H2,1-3H3,(H2,28,32)(H,31,36)/t24-,25+/m1/s1
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151n/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...


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


(Homo sapiens (Human))
BDBM256798
PNG
(US9489013, 69)
Show SMILES CCS(=O)(=O)N1CC[C@]2(C1)[C@](C)(NC(=N)N(C)S2(=O)=O)c1cc(NC(=O)c2ccc(OC)cn2)ccc1F
Show InChI InChI=1S/C23H29FN6O6S2/c1-5-37(32,33)30-11-10-23(14-30)22(2,28-21(25)29(3)38(23,34)35)17-12-15(6-8-18(17)24)27-20(31)19-9-7-16(36-4)13-26-19/h6-9,12-13H,5,10-11,14H2,1-4H3,(H2,25,28)(H,27,31)/t22-,23+/m1/s1
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157n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50's at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEV...


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


(Homo sapiens (Human))
BDBM256747
PNG
(US9489013, 18)
Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@]11CCN(Cc2cocn2)C1
Show InChI InChI=1S/C25H28FN7O5S/c1-24(19-10-16(4-6-20(19)26)30-22(34)21-7-5-18(37-3)11-28-21)25(39(35,36)32(2)23(27)31-24)8-9-33(14-25)12-17-13-38-15-29-17/h4-7,10-11,13,15H,8-9,12,14H2,1-3H3,(H2,27,31)(H,30,34)/t24-,25+/m1/s1
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158n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50's at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEV...


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


(Homo sapiens (Human))
BDBM256780
PNG
(US9489013, 51)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@@]2(CCN(Cc3cnn(C)c3)C2)S1(=O)=O
Show InChI InChI=1S/C25H28F2N8O3S/c1-24(19-10-18(5-6-20(19)27)31-22(36)21-7-4-17(26)12-29-21)25(39(37,38)34(3)23(28)32-24)8-9-35(15-25)14-16-11-30-33(2)13-16/h4-7,10-13H,8-9,14-15H2,1-3H3,(H2,28,32)(H,31,36)/t24-,25+/m1/s1
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184n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50's at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEV...


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


(Homo sapiens (Human))
BDBM256749
PNG
(US9489013, 20)
Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@]11CCN(CC2CCOC2)C1
Show InChI InChI=1S/C26H33FN6O5S/c1-25(20-12-18(4-6-21(20)27)30-23(34)22-7-5-19(37-3)13-29-22)26(39(35,36)32(2)24(28)31-25)9-10-33(16-26)14-17-8-11-38-15-17/h4-7,12-13,17H,8-11,14-16H2,1-3H3,(H2,28,31)(H,30,34)/t17?,25-,26+/m1/s1
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188n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50's at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEV...


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


(Homo sapiens (Human))
BDBM256750
PNG
(US9489013, 21)
Show SMILES COC1CC(CN2CC[C@]3(C2)[C@](C)(NC(=N)N(C)S3(=O)=O)c2cc(NC(=O)c3ccc(OC)cn3)ccc2F)C1
Show InChI InChI=1S/C27H35FN6O5S/c1-26(21-13-18(5-7-22(21)28)31-24(35)23-8-6-19(38-3)14-30-23)27(40(36,37)33(2)25(29)32-26)9-10-34(16-27)15-17-11-20(12-17)39-4/h5-8,13-14,17,20H,9-12,15-16H2,1-4H3,(H2,29,32)(H,31,35)/t17?,20?,26-,27+/m1/s1
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201n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50's at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEV...


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


(Homo sapiens (Human))
BDBM256797
PNG
(US9489013, 68)
Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@]11CCN(C1)S(C)(=O)=O
Show InChI InChI=1S/C22H27FN6O6S2/c1-21(22(9-10-29(13-22)36(4,31)32)37(33,34)28(2)20(24)27-21)16-11-14(5-7-17(16)23)26-19(30)18-8-6-15(35-3)12-25-18/h5-8,11-12H,9-10,13H2,1-4H3,(H2,24,27)(H,26,30)/t21-,22+/m1/s1
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205n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50's at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEV...


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


(Homo sapiens (Human))
BDBM256757
PNG
(US9489013, 28)
Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@]11CCN(Cc2cnco2)C1
Show InChI InChI=1S/C25H28FN7O5S/c1-24(19-10-16(4-6-20(19)26)30-22(34)21-7-5-17(37-3)12-29-21)25(39(35,36)32(2)23(27)31-24)8-9-33(14-25)13-18-11-28-15-38-18/h4-7,10-12,15H,8-9,13-14H2,1-3H3,(H2,27,31)(H,30,34)/t24-,25+/m1/s1
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237n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50's at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEV...


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


(Homo sapiens (Human))
BDBM256755
PNG
(US9489013, 26)
Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@]11CCN(Cc2cncnc2)C1
Show InChI InChI=1S/C26H29FN8O4S/c1-25(20-10-18(4-6-21(20)27)32-23(36)22-7-5-19(39-3)13-31-22)26(40(37,38)34(2)24(28)33-25)8-9-35(15-26)14-17-11-29-16-30-12-17/h4-7,10-13,16H,8-9,14-15H2,1-3H3,(H2,28,33)(H,32,36)/t25-,26+/m1/s1
UniProtKB/SwissProt

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UniChem
US Patent
329n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50's at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEV...


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


(Homo sapiens (Human))
BDBM256756
PNG
(US9489013, 27)
Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@]11CCN(Cc2cnn(C)c2)C1
Show InChI InChI=1S/C26H31FN8O4S/c1-25(20-11-18(5-7-21(20)27)31-23(36)22-8-6-19(39-4)13-29-22)26(40(37,38)34(3)24(28)32-25)9-10-35(16-26)15-17-12-30-33(2)14-17/h5-8,11-14H,9-10,15-16H2,1-4H3,(H2,28,32)(H,31,36)/t25-,26+/m1/s1
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US Patent
388n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50's at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEV...


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


(Homo sapiens (Human))
BDBM256826
PNG
(US9489013, 97)
Show SMILES COCC(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@@]11CCNC1
Show InChI InChI=1S/C17H24FN5O4S/c1-16(12-8-11(4-5-13(12)18)21-14(24)9-27-3)17(6-7-20-10-17)28(25,26)23(2)15(19)22-16/h4-5,8,20H,6-7,9-10H2,1-3H3,(H2,19,22)(H,21,24)/t16-,17-/m1/s1
UniProtKB/SwissProt

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US Patent
782n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50's at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEV...


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


(Homo sapiens (Human))
BDBM256826
PNG
(US9489013, 97)
Show SMILES COCC(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@@]11CCNC1
Show InChI InChI=1S/C17H24FN5O4S/c1-16(12-8-11(4-5-13(12)18)21-14(24)9-27-3)17(6-7-20-10-17)28(25,26)23(2)15(19)22-16/h4-5,8,20H,6-7,9-10H2,1-3H3,(H2,19,22)(H,21,24)/t16-,17-/m1/s1
PDB
MMDB

KEGG

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US Patent
1.04E+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...


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