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Patent code US10689401

Compile Data Set for Download or QSAR
Found 50 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
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Beta-secretase-2 (BACE2)


(Homo sapiens (Human))
BDBM448210
PNG
(US10689401, EX 14)
Show SMILES CC1(C)C(=N)N[C@]2(CO[C@H](C[C@H]2S1(=O)=O)c1ccc(F)cc1)c1cc(Oc2ncccc2F)ccc1F
Show InChI InChI=1S/C26H24F3N3O4S/c1-25(2)24(30)32-26(18-12-17(9-10-19(18)28)36-23-20(29)4-3-11-31-23)14-35-21(13-22(26)37(25,33)34)15-5-7-16(27)8-6-15/h3-12,21-22H,13-14H2,1-2H3,(H2,30,32)/t21-,22-,26-/m1/s1
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1.90n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10689401 (2020)

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


(Homo sapiens (Human))
BDBM448210
PNG
(US10689401, EX 14)
Show SMILES CC1(C)C(=N)N[C@]2(CO[C@H](C[C@H]2S1(=O)=O)c1ccc(F)cc1)c1cc(Oc2ncccc2F)ccc1F
Show InChI InChI=1S/C26H24F3N3O4S/c1-25(2)24(30)32-26(18-12-17(9-10-19(18)28)36-23-20(29)4-3-11-31-23)14-35-21(13-22(26)37(25,33)34)15-5-7-16(27)8-6-15/h3-12,21-22H,13-14H2,1-2H3,(H2,30,32)/t21-,22-,26-/m1/s1
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3.90n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10689401 (2020)

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


(Homo sapiens (Human))
BDBM448199
PNG
(US10689401, EX 5)
Show SMILES C[C@H]1C[C@@H]2[C@](CO1)(NC(=N)C(C)(C)S2(=O)=O)c1cc(Oc2ncccc2F)ccc1F
Show InChI InChI=1S/C21H23F2N3O4S/c1-12-9-17-21(11-29-12,26-19(24)20(2,3)31(17,27)28)14-10-13(6-7-15(14)22)30-18-16(23)5-4-8-25-18/h4-8,10,12,17H,9,11H2,1-3H3,(H2,24,26)/t12-,17+,21+/m0/s1
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4.90n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10689401 (2020)

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


(Homo sapiens (Human))
BDBM448219
PNG
(US10689401, EX 21)
Show SMILES CC1(C)C[C@@H]2[C@](CO1)(NC(=N)C(C)(C)S2(=O)=O)c1cc(Oc2cc(F)cnc2F)ccc1F
Show InChI InChI=1S/C22H24F3N3O4S/c1-20(2)9-17-22(11-31-20,28-19(26)21(3,4)33(17,29)30)14-8-13(5-6-15(14)24)32-16-7-12(23)10-27-18(16)25/h5-8,10,17H,9,11H2,1-4H3,(H2,26,28)/t17-,22-/m1/s1
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9.70n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10689401 (2020)

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


(Homo sapiens (Human))
BDBM448205
PNG
(US10689401, EX 9)
Show SMILES C[C@H]1C[C@@H]2[C@](CO1)(NC(=N)C(C)(C)S2(=O)=O)c1cc(OCC2CC2)ccc1F
Show InChI InChI=1S/C20H27FN2O4S/c1-12-8-17-20(11-27-12,23-18(22)19(2,3)28(17,24)25)15-9-14(6-7-16(15)21)26-10-13-4-5-13/h6-7,9,12-13,17H,4-5,8,10-11H2,1-3H3,(H2,22,23)/t12-,17+,20+/m0/s1
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11.4n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10689401 (2020)

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


(Homo sapiens (Human))
BDBM448209
PNG
(US10689401, EX 13)
Show SMILES CC1(C)C(=N)N[C@]2(CO[C@H](C[C@H]2S1(=O)=O)c1ccc(F)cc1)c1cc(OCC2CC2)ccc1F
Show InChI InChI=1S/C25H28F2N2O4S/c1-24(2)23(28)29-25(19-11-18(9-10-20(19)27)32-13-15-3-4-15)14-33-21(12-22(25)34(24,30)31)16-5-7-17(26)8-6-16/h5-11,15,21-22H,3-4,12-14H2,1-2H3,(H2,28,29)/t21-,22-,25-/m1/s1
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11.7n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10689401 (2020)

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


(Homo sapiens (Human))
BDBM448199
PNG
(US10689401, EX 5)
Show SMILES C[C@H]1C[C@@H]2[C@](CO1)(NC(=N)C(C)(C)S2(=O)=O)c1cc(Oc2ncccc2F)ccc1F
Show InChI InChI=1S/C21H23F2N3O4S/c1-12-9-17-21(11-29-12,26-19(24)20(2,3)31(17,27)28)14-10-13(6-7-15(14)22)30-18-16(23)5-4-8-25-18/h4-8,10,12,17H,9,11H2,1-3H3,(H2,24,26)/t12-,17+,21+/m0/s1
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17.5n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10689401 (2020)

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


(Homo sapiens (Human))
BDBM448211
PNG
(US10689401, EX 15)
Show SMILES CC1(C)C(=N)N[C@]2(CO[C@H](C[C@H]2S1(=O)=O)c1ccc(F)cc1)c1cc(Oc2cc(ccn2)C#N)ccc1F
Show InChI InChI=1S/C27H24F2N4O4S/c1-26(2)25(31)33-27(15-36-22(13-23(27)38(26,34)35)17-3-5-18(28)6-4-17)20-12-19(7-8-21(20)29)37-24-11-16(14-30)9-10-32-24/h3-12,22-23H,13,15H2,1-2H3,(H2,31,33)/t22-,23-,27-/m1/s1
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17.9n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10689401 (2020)

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


(Homo sapiens (Human))
BDBM448202
PNG
(US10689401, EX 6)
Show SMILES C[C@H]1C[C@@H]2[C@](CO1)(NC(=N)C(C)(C)S2(=O)=O)c1cc(Oc2cc(ccn2)C#N)ccc1F
Show InChI InChI=1S/C22H23FN4O4S/c1-13-8-18-22(12-30-13,27-20(25)21(2,3)32(18,28)29)16-10-15(4-5-17(16)23)31-19-9-14(11-24)6-7-26-19/h4-7,9-10,13,18H,8,12H2,1-3H3,(H2,25,27)/t13-,18+,22+/m0/s1
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19.2n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10689401 (2020)

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


(Homo sapiens (Human))
BDBM448211
PNG
(US10689401, EX 15)
Show SMILES CC1(C)C(=N)N[C@]2(CO[C@H](C[C@H]2S1(=O)=O)c1ccc(F)cc1)c1cc(Oc2cc(ccn2)C#N)ccc1F
Show InChI InChI=1S/C27H24F2N4O4S/c1-26(2)25(31)33-27(15-36-22(13-23(27)38(26,34)35)17-3-5-18(28)6-4-17)20-12-19(7-8-21(20)29)37-24-11-16(14-30)9-10-32-24/h3-12,22-23H,13,15H2,1-2H3,(H2,31,33)/t22-,23-,27-/m1/s1
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19.8n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10689401 (2020)

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


(Homo sapiens (Human))
BDBM448215
PNG
(US10689401, EX 18)
Show SMILES CC1(C)C[C@@H]2[C@](CO1)(NC(=N)C(C)(C)S2(=O)=O)c1cc(Oc2ncccc2F)ccc1F
Show InChI InChI=1S/C22H25F2N3O4S/c1-20(2)11-17-22(12-30-20,27-19(25)21(3,4)32(17,28)29)14-10-13(7-8-15(14)23)31-18-16(24)6-5-9-26-18/h5-10,17H,11-12H2,1-4H3,(H2,25,27)/t17-,22-/m1/s1
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22.4n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10689401 (2020)

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


(Homo sapiens (Human))
BDBM448202
PNG
(US10689401, EX 6)
Show SMILES C[C@H]1C[C@@H]2[C@](CO1)(NC(=N)C(C)(C)S2(=O)=O)c1cc(Oc2cc(ccn2)C#N)ccc1F
Show InChI InChI=1S/C22H23FN4O4S/c1-13-8-18-22(12-30-13,27-20(25)21(2,3)32(18,28)29)16-10-15(4-5-17(16)23)31-19-9-14(11-24)6-7-26-19/h4-7,9-10,13,18H,8,12H2,1-3H3,(H2,25,27)/t13-,18+,22+/m0/s1
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23.6n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10689401 (2020)

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


(Homo sapiens (Human))
BDBM448203
PNG
(US10689401, EX 7)
Show SMILES C[C@H]1C[C@@H]2[C@](CO1)(NC(=N)C(C)(C)S2(=O)=O)c1cc(Oc2ncc(F)cc2F)ccc1F
Show InChI InChI=1S/C21H22F3N3O4S/c1-11-6-17-21(10-30-11,27-19(25)20(2,3)32(17,28)29)14-8-13(4-5-15(14)23)31-18-16(24)7-12(22)9-26-18/h4-5,7-9,11,17H,6,10H2,1-3H3,(H2,25,27)/t11-,17+,21+/m0/s1
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28.9n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10689401 (2020)

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


(Homo sapiens (Human))
BDBM448197
PNG
(US10689401, EX 4)
Show SMILES CC(C)COc1ccc(F)c(c1)[C@]12CO[C@@H](C)C[C@H]1S(=O)(=O)C(C)(C)C(=N)N2
Show InChI InChI=1S/C20H29FN2O4S/c1-12(2)10-26-14-6-7-16(21)15(9-14)20-11-27-13(3)8-17(20)28(24,25)19(4,5)18(22)23-20/h6-7,9,12-13,17H,8,10-11H2,1-5H3,(H2,22,23)/t13-,17+,20+/m0/s1
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31.6n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10689401 (2020)

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


(Homo sapiens (Human))
BDBM448217
PNG
(US10689401, EX 19)
Show SMILES CC1(C)C[C@@H]2[C@](CO1)(NC(=N)C(C)(C)S2(=O)=O)c1cc(Oc2cc(ccn2)C#N)ccc1F
Show InChI InChI=1S/C23H25FN4O4S/c1-21(2)11-18-23(13-31-21,28-20(26)22(3,4)33(18,29)30)16-10-15(5-6-17(16)24)32-19-9-14(12-25)7-8-27-19/h5-10,18H,11,13H2,1-4H3,(H2,26,28)/t18-,23-/m1/s1
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33.8n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10689401 (2020)

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


(Homo sapiens (Human))
BDBM448220
PNG
(US10689401, EX 22)
Show SMILES CC1(C)C[C@@H]2[C@](CO1)(NC(=N)C(C)(C)S2(=O)=O)c1cc(OCC2CC2)ccc1F
Show InChI InChI=1S/C21H29FN2O4S/c1-19(2)10-17-21(12-28-19,24-18(23)20(3,4)29(17,25)26)15-9-14(7-8-16(15)22)27-11-13-5-6-13/h7-9,13,17H,5-6,10-12H2,1-4H3,(H2,23,24)/t17-,21-/m1/s1
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35.6n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10689401 (2020)

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


(Homo sapiens (Human))
BDBM448215
PNG
(US10689401, EX 18)
Show SMILES CC1(C)C[C@@H]2[C@](CO1)(NC(=N)C(C)(C)S2(=O)=O)c1cc(Oc2ncccc2F)ccc1F
Show InChI InChI=1S/C22H25F2N3O4S/c1-20(2)11-17-22(12-30-20,27-19(25)21(3,4)32(17,28)29)14-10-13(7-8-15(14)23)31-18-16(24)6-5-9-26-18/h5-10,17H,11-12H2,1-4H3,(H2,25,27)/t17-,22-/m1/s1
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42.2n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10689401 (2020)

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


(Homo sapiens (Human))
BDBM448218
PNG
(US10689401, EX 20)
Show SMILES CC1(C)C[C@@H]2[C@](CO1)(NC(=N)C(C)(C)S2(=O)=O)c1cc(Oc2ncc(F)cc2F)ccc1F
Show InChI InChI=1S/C22H24F3N3O4S/c1-20(2)9-17-22(11-31-20,28-19(26)21(3,4)33(17,29)30)14-8-13(5-6-15(14)24)32-18-16(25)7-12(23)10-27-18/h5-8,10,17H,9,11H2,1-4H3,(H2,26,28)/t17-,22-/m1/s1
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53.2n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10689401 (2020)

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


(Homo sapiens (Human))
BDBM448203
PNG
(US10689401, EX 7)
Show SMILES C[C@H]1C[C@@H]2[C@](CO1)(NC(=N)C(C)(C)S2(=O)=O)c1cc(Oc2ncc(F)cc2F)ccc1F
Show InChI InChI=1S/C21H22F3N3O4S/c1-11-6-17-21(10-30-11,27-19(25)20(2,3)32(17,28)29)14-8-13(4-5-15(14)23)31-18-16(24)7-12(22)9-26-18/h4-5,7-9,11,17H,6,10H2,1-3H3,(H2,25,27)/t11-,17+,21+/m0/s1
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53.6n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10689401 (2020)

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


(Homo sapiens (Human))
BDBM448217
PNG
(US10689401, EX 19)
Show SMILES CC1(C)C[C@@H]2[C@](CO1)(NC(=N)C(C)(C)S2(=O)=O)c1cc(Oc2cc(ccn2)C#N)ccc1F
Show InChI InChI=1S/C23H25FN4O4S/c1-21(2)11-18-23(13-31-21,28-20(26)22(3,4)33(18,29)30)16-10-15(5-6-17(16)24)32-19-9-14(12-25)7-8-27-19/h5-10,18H,11,13H2,1-4H3,(H2,26,28)/t18-,23-/m1/s1
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65.2n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10689401 (2020)

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


(Homo sapiens (Human))
BDBM448221
PNG
(US10689401, EX 23)
Show SMILES CC(C)COc1ccc(F)c(c1)[C@]12COC(C)(C)C[C@H]1S(=O)(=O)C(C)(C)C(=N)N2
Show InChI InChI=1S/C21H31FN2O4S/c1-13(2)11-27-14-7-8-16(22)15(9-14)21-12-28-19(3,4)10-17(21)29(25,26)20(5,6)18(23)24-21/h7-9,13,17H,10-12H2,1-6H3,(H2,23,24)/t17-,21-/m1/s1
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66.7n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10689401 (2020)

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


(Homo sapiens (Human))
BDBM448194
PNG
(US10689401, EX 1)
Show SMILES C[C@H]1C[C@@H]2[C@](CO1)(NC(=N)C(C)(C)S2(=O)=O)c1ccccc1F
Show InChI InChI=1S/C16H21FN2O3S/c1-10-8-13-16(9-22-10,11-6-4-5-7-12(11)17)19-14(18)15(2,3)23(13,20)21/h4-7,10,13H,8-9H2,1-3H3,(H2,18,19)/t10-,13+,16+/m0/s1
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72.5n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10689401 (2020)

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


(Homo sapiens (Human))
BDBM448219
PNG
(US10689401, EX 21)
Show SMILES CC1(C)C[C@@H]2[C@](CO1)(NC(=N)C(C)(C)S2(=O)=O)c1cc(Oc2cc(F)cnc2F)ccc1F
Show InChI InChI=1S/C22H24F3N3O4S/c1-20(2)9-17-22(11-31-20,28-19(26)21(3,4)33(17,29)30)14-8-13(5-6-15(14)24)32-16-7-12(23)10-27-18(16)25/h5-8,10,17H,9,11H2,1-4H3,(H2,26,28)/t17-,22-/m1/s1
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88n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10689401 (2020)

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


(Homo sapiens (Human))
BDBM448205
PNG
(US10689401, EX 9)
Show SMILES C[C@H]1C[C@@H]2[C@](CO1)(NC(=N)C(C)(C)S2(=O)=O)c1cc(OCC2CC2)ccc1F
Show InChI InChI=1S/C20H27FN2O4S/c1-12-8-17-20(11-27-12,23-18(22)19(2,3)28(17,24)25)15-9-14(6-7-16(15)21)26-10-13-4-5-13/h6-7,9,12-13,17H,4-5,8,10-11H2,1-3H3,(H2,22,23)/t12-,17+,20+/m0/s1
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94.2n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10689401 (2020)

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


(Homo sapiens (Human))
BDBM448208
PNG
(US10689401, EX 12)
Show SMILES COc1ccc(F)c(c1)[C@]12CO[C@H](C[C@H]1S(=O)(=O)C(C)(C)C(=N)N2)c1ccc(F)cc1
Show InChI InChI=1S/C22H24F2N2O4S/c1-21(2)20(25)26-22(16-10-15(29-3)8-9-17(16)24)12-30-18(11-19(22)31(21,27)28)13-4-6-14(23)7-5-13/h4-10,18-19H,11-12H2,1-3H3,(H2,25,26)/t18-,19-,22-/m1/s1
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96.3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10689401 (2020)

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


(Homo sapiens (Human))
BDBM448218
PNG
(US10689401, EX 20)
Show SMILES CC1(C)C[C@@H]2[C@](CO1)(NC(=N)C(C)(C)S2(=O)=O)c1cc(Oc2ncc(F)cc2F)ccc1F
Show InChI InChI=1S/C22H24F3N3O4S/c1-20(2)9-17-22(11-31-20,28-19(26)21(3,4)33(17,29)30)14-8-13(5-6-15(14)24)32-18-16(25)7-12(23)10-27-18/h5-8,10,17H,9,11H2,1-4H3,(H2,26,28)/t17-,22-/m1/s1
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102n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10689401 (2020)

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


(Homo sapiens (Human))
BDBM448222
PNG
(US10689401, EX 24)
Show SMILES CC1(C)C[C@@H]2[C@](CO1)(NC(=N)C(C)(C)S2(=O)=O)c1cc(OC2CCC2)ccc1F
Show InChI InChI=1S/C21H29FN2O4S/c1-19(2)11-17-21(12-27-19,24-18(23)20(3,4)29(17,25)26)15-10-14(8-9-16(15)22)28-13-6-5-7-13/h8-10,13,17H,5-7,11-12H2,1-4H3,(H2,23,24)/t17-,21-/m1/s1
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109n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10689401 (2020)

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


(Homo sapiens (Human))
BDBM448209
PNG
(US10689401, EX 13)
Show SMILES CC1(C)C(=N)N[C@]2(CO[C@H](C[C@H]2S1(=O)=O)c1ccc(F)cc1)c1cc(OCC2CC2)ccc1F
Show InChI InChI=1S/C25H28F2N2O4S/c1-24(2)23(28)29-25(19-11-18(9-10-20(19)27)32-13-15-3-4-15)14-33-21(12-22(25)34(24,30)31)16-5-7-17(26)8-6-16/h5-11,15,21-22H,3-4,12-14H2,1-2H3,(H2,28,29)/t21-,22-,25-/m1/s1
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115n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10689401 (2020)

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


(Homo sapiens (Human))
BDBM448220
PNG
(US10689401, EX 22)
Show SMILES CC1(C)C[C@@H]2[C@](CO1)(NC(=N)C(C)(C)S2(=O)=O)c1cc(OCC2CC2)ccc1F
Show InChI InChI=1S/C21H29FN2O4S/c1-19(2)10-17-21(12-28-19,24-18(23)20(3,4)29(17,25)26)15-9-14(7-8-16(15)22)27-11-13-5-6-13/h7-9,13,17H,5-6,10-12H2,1-4H3,(H2,23,24)/t17-,21-/m1/s1
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120n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10689401 (2020)

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


(Homo sapiens (Human))
BDBM448221
PNG
(US10689401, EX 23)
Show SMILES CC(C)COc1ccc(F)c(c1)[C@]12COC(C)(C)C[C@H]1S(=O)(=O)C(C)(C)C(=N)N2
Show InChI InChI=1S/C21H31FN2O4S/c1-13(2)11-27-14-7-8-16(22)15(9-14)21-12-28-19(3,4)10-17(21)29(25,26)20(5,6)18(23)24-21/h7-9,13,17H,10-12H2,1-6H3,(H2,23,24)/t17-,21-/m1/s1
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172n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10689401 (2020)

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


(Homo sapiens (Human))
BDBM448222
PNG
(US10689401, EX 24)
Show SMILES CC1(C)C[C@@H]2[C@](CO1)(NC(=N)C(C)(C)S2(=O)=O)c1cc(OC2CCC2)ccc1F
Show InChI InChI=1S/C21H29FN2O4S/c1-19(2)11-17-21(12-27-19,24-18(23)20(3,4)29(17,25)26)15-10-14(8-9-16(15)22)28-13-6-5-7-13/h8-10,13,17H,5-7,11-12H2,1-4H3,(H2,23,24)/t17-,21-/m1/s1
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183n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10689401 (2020)

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


(Homo sapiens (Human))
BDBM448208
PNG
(US10689401, EX 12)
Show SMILES COc1ccc(F)c(c1)[C@]12CO[C@H](C[C@H]1S(=O)(=O)C(C)(C)C(=N)N2)c1ccc(F)cc1
Show InChI InChI=1S/C22H24F2N2O4S/c1-21(2)20(25)26-22(16-10-15(29-3)8-9-17(16)24)12-30-18(11-19(22)31(21,27)28)13-4-6-14(23)7-5-13/h4-10,18-19H,11-12H2,1-3H3,(H2,25,26)/t18-,19-,22-/m1/s1
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184n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10689401 (2020)

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


(Homo sapiens (Human))
BDBM448223
PNG
(US10689401, EX 25)
Show SMILES CC(C)[C@H]1C[C@@H]2[C@](CO1)(NC(=N)C(C)(C)S2(=O)=O)c1ccccc1F
Show InChI InChI=1S/C18H25FN2O3S/c1-11(2)14-9-15-18(10-24-14,12-7-5-6-8-13(12)19)21-16(20)17(3,4)25(15,22)23/h5-8,11,14-15H,9-10H2,1-4H3,(H2,20,21)/t14-,15-,18-/m1/s1
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185n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10689401 (2020)

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


(Homo sapiens (Human))
BDBM448223
PNG
(US10689401, EX 25)
Show SMILES CC(C)[C@H]1C[C@@H]2[C@](CO1)(NC(=N)C(C)(C)S2(=O)=O)c1ccccc1F
Show InChI InChI=1S/C18H25FN2O3S/c1-11(2)14-9-15-18(10-24-14,12-7-5-6-8-13(12)19)21-16(20)17(3,4)25(15,22)23/h5-8,11,14-15H,9-10H2,1-4H3,(H2,20,21)/t14-,15-,18-/m1/s1
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195n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10689401 (2020)

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


(Homo sapiens (Human))
BDBM448206
PNG
(US10689401, EX 10)
Show SMILES COc1ccc(F)c(c1)[C@]12CO[C@@H](C)C[C@H]1S(=O)(=O)C(C)(C)C(=N)N2
Show InChI InChI=1S/C17H23FN2O4S/c1-10-7-14-17(9-24-10,12-8-11(23-4)5-6-13(12)18)20-15(19)16(2,3)25(14,21)22/h5-6,8,10,14H,7,9H2,1-4H3,(H2,19,20)/t10-,14+,17+/m0/s1
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249n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10689401 (2020)

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


(Homo sapiens (Human))
BDBM448214
PNG
(US10689401, EX 17)
Show SMILES CC1(C)C[C@@H]2[C@](CO1)(NC(=N)C(C)(C)S2(=O)=O)c1ccccc1F
Show InChI InChI=1S/C17H23FN2O3S/c1-15(2)9-13-17(10-23-15,11-7-5-6-8-12(11)18)20-14(19)16(3,4)24(13,21)22/h5-8,13H,9-10H2,1-4H3,(H2,19,20)/t13-,17-/m1/s1
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293n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10689401 (2020)

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


(Homo sapiens (Human))
BDBM448214
PNG
(US10689401, EX 17)
Show SMILES CC1(C)C[C@@H]2[C@](CO1)(NC(=N)C(C)(C)S2(=O)=O)c1ccccc1F
Show InChI InChI=1S/C17H23FN2O3S/c1-15(2)9-13-17(10-23-15,11-7-5-6-8-12(11)18)20-14(19)16(3,4)24(13,21)22/h5-8,13H,9-10H2,1-4H3,(H2,19,20)/t13-,17-/m1/s1
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300n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10689401 (2020)

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


(Homo sapiens (Human))
BDBM448197
PNG
(US10689401, EX 4)
Show SMILES CC(C)COc1ccc(F)c(c1)[C@]12CO[C@@H](C)C[C@H]1S(=O)(=O)C(C)(C)C(=N)N2
Show InChI InChI=1S/C20H29FN2O4S/c1-12(2)10-26-14-6-7-16(21)15(9-14)20-11-27-13(3)8-17(20)28(24,25)19(4,5)18(22)23-20/h6-7,9,12-13,17H,8,10-11H2,1-5H3,(H2,22,23)/t13-,17+,20+/m0/s1
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354n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10689401 (2020)

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


(Homo sapiens (Human))
BDBM448194
PNG
(US10689401, EX 1)
Show SMILES C[C@H]1C[C@@H]2[C@](CO1)(NC(=N)C(C)(C)S2(=O)=O)c1ccccc1F
Show InChI InChI=1S/C16H21FN2O3S/c1-10-8-13-16(9-22-10,11-6-4-5-7-12(11)17)19-14(18)15(2,3)23(13,20)21/h4-7,10,13H,8-9H2,1-3H3,(H2,18,19)/t10-,13+,16+/m0/s1
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363n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10689401 (2020)

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


(Homo sapiens (Human))
BDBM448196
PNG
(US10689401, EX 3)
Show SMILES C[C@H]1C[C@@H]2[C@](CO1)(NC(=N)C(C)(C)S2(=O)=O)c1cc(Br)ccc1F
Show InChI InChI=1S/C16H20BrFN2O3S/c1-9-6-13-16(8-23-9,11-7-10(17)4-5-12(11)18)20-14(19)15(2,3)24(13,21)22/h4-5,7,9,13H,6,8H2,1-3H3,(H2,19,20)/t9-,13+,16+/m0/s1
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399n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10689401 (2020)

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


(Homo sapiens (Human))
BDBM448206
PNG
(US10689401, EX 10)
Show SMILES COc1ccc(F)c(c1)[C@]12CO[C@@H](C)C[C@H]1S(=O)(=O)C(C)(C)C(=N)N2
Show InChI InChI=1S/C17H23FN2O4S/c1-10-7-14-17(9-24-10,12-8-11(23-4)5-6-13(12)18)20-15(19)16(2,3)25(14,21)22/h5-6,8,10,14H,7,9H2,1-4H3,(H2,19,20)/t10-,14+,17+/m0/s1
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681n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10689401 (2020)

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


(Homo sapiens (Human))
BDBM448204
PNG
(US10689401, EX 8)
Show SMILES C[C@@H]1C[C@@H]2[C@](CO1)(NC(=N)C(C)(C)S2(=O)=O)c1cc(OCC2CC2)ccc1F
Show InChI InChI=1S/C20H27FN2O4S/c1-12-8-17-20(11-27-12,23-18(22)19(2,3)28(17,24)25)15-9-14(6-7-16(15)21)26-10-13-4-5-13/h6-7,9,12-13,17H,4-5,8,10-11H2,1-3H3,(H2,22,23)/t12-,17-,20-/m1/s1
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1.18E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10689401 (2020)

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


(Homo sapiens (Human))
BDBM448196
PNG
(US10689401, EX 3)
Show SMILES C[C@H]1C[C@@H]2[C@](CO1)(NC(=N)C(C)(C)S2(=O)=O)c1cc(Br)ccc1F
Show InChI InChI=1S/C16H20BrFN2O3S/c1-9-6-13-16(8-23-9,11-7-10(17)4-5-12(11)18)20-14(19)15(2,3)24(13,21)22/h4-5,7,9,13H,6,8H2,1-3H3,(H2,19,20)/t9-,13+,16+/m0/s1
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1.21E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10689401 (2020)

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


(Homo sapiens (Human))
BDBM448212
PNG
(US10689401, EX 16)
Show SMILES COc1ccc(F)c(c1)[C@]12CO[C@@H](CO)C[C@H]1S(=O)(=O)C(C)(C)C(=N)N2
Show InChI InChI=1S/C17H23FN2O5S/c1-16(2)15(19)20-17(12-6-10(24-3)4-5-13(12)18)9-25-11(8-21)7-14(17)26(16,22)23/h4-6,11,14,21H,7-9H2,1-3H3,(H2,19,20)/t11-,14-,17-/m1/s1
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2.02E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10689401 (2020)

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


(Homo sapiens (Human))
BDBM448212
PNG
(US10689401, EX 16)
Show SMILES COc1ccc(F)c(c1)[C@]12CO[C@@H](CO)C[C@H]1S(=O)(=O)C(C)(C)C(=N)N2
Show InChI InChI=1S/C17H23FN2O5S/c1-16(2)15(19)20-17(12-6-10(24-3)4-5-13(12)18)9-25-11(8-21)7-14(17)26(16,22)23/h4-6,11,14,21H,7-9H2,1-3H3,(H2,19,20)/t11-,14-,17-/m1/s1
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2.86E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10689401 (2020)

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


(Homo sapiens (Human))
BDBM448204
PNG
(US10689401, EX 8)
Show SMILES C[C@@H]1C[C@@H]2[C@](CO1)(NC(=N)C(C)(C)S2(=O)=O)c1cc(OCC2CC2)ccc1F
Show InChI InChI=1S/C20H27FN2O4S/c1-12-8-17-20(11-27-12,23-18(22)19(2,3)28(17,24)25)15-9-14(6-7-16(15)21)26-10-13-4-5-13/h6-7,9,12-13,17H,4-5,8,10-11H2,1-3H3,(H2,22,23)/t12-,17-,20-/m1/s1
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4.48E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10689401 (2020)

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


(Homo sapiens (Human))
BDBM448195
PNG
(US10689401, EX 2)
Show SMILES C[C@@H]1C[C@@H]2[C@](CO1)(NC(=N)C(C)(C)S2(=O)=O)c1ccccc1F
Show InChI InChI=1S/C16H21FN2O3S/c1-10-8-13-16(9-22-10,11-6-4-5-7-12(11)17)19-14(18)15(2,3)23(13,20)21/h4-7,10,13H,8-9H2,1-3H3,(H2,18,19)/t10-,13-,16-/m1/s1
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6.26E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10689401 (2020)

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


(Homo sapiens (Human))
BDBM448207
PNG
(US10689401, EX 11)
Show SMILES COc1ccc(F)c(c1)[C@]12CO[C@H](C)C[C@H]1S(=O)(=O)C(C)(C)C(=N)N2
Show InChI InChI=1S/C17H23FN2O4S/c1-10-7-14-17(9-24-10,12-8-11(23-4)5-6-13(12)18)20-15(19)16(2,3)25(14,21)22/h5-6,8,10,14H,7,9H2,1-4H3,(H2,19,20)/t10-,14-,17-/m1/s1
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8.40E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10689401 (2020)

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


(Homo sapiens (Human))
BDBM448195
PNG
(US10689401, EX 2)
Show SMILES C[C@@H]1C[C@@H]2[C@](CO1)(NC(=N)C(C)(C)S2(=O)=O)c1ccccc1F
Show InChI InChI=1S/C16H21FN2O3S/c1-10-8-13-16(9-22-10,11-6-4-5-7-12(11)17)19-14(18)15(2,3)23(13,20)21/h4-7,10,13H,8-9H2,1-3H3,(H2,18,19)/t10-,13-,16-/m1/s1
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1.00E+4n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10689401 (2020)

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


(Homo sapiens (Human))
BDBM448207
PNG
(US10689401, EX 11)
Show SMILES COc1ccc(F)c(c1)[C@]12CO[C@H](C)C[C@H]1S(=O)(=O)C(C)(C)C(=N)N2
Show InChI InChI=1S/C17H23FN2O4S/c1-10-7-14-17(9-24-10,12-8-11(23-4)5-6-13(12)18)20-15(19)16(2,3)25(14,21)22/h5-6,8,10,14H,7,9H2,1-4H3,(H2,19,20)/t10-,14-,17-/m1/s1
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1.00E+4n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10689401 (2020)

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