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Patent code US9447085

Compile Data Set for Download or QSAR
Found 33 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 2 (BACE2)


(Homo sapiens (Human))
BDBM247276
PNG
(US9447085, 1)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=S)c2ccc(Cl)cn2)ccc1F
Show InChI InChI=1S/C17H17ClFN5O2S2/c1-17(9-28(25,26)24(2)16(20)23-17)12-7-11(4-5-13(12)19)22-15(27)14-6-3-10(18)8-21-14/h3-8H,9H2,1-2H3,(H2,20,23)(H,22,27)/t17-/m0/s1
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US Patent
1n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor compounds, prepared at 3× the desired final concentration in 1×BACE assay buffer (20 mM sodium acetate pH 5.0, 10% glycerol, 0....


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


(Homo sapiens (Human))
BDBM247281
PNG
(US9447085, 4b)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=S)c2ccc(F)cn2)ccc1F
Show InChI InChI=1S/C17H17F2N5O2S2/c1-17(9-28(25,26)24(2)16(20)23-17)12-7-11(4-5-13(12)19)22-15(27)14-6-3-10(18)8-21-14/h3-8H,9H2,1-2H3,(H2,20,23)(H,22,27)/t17-/m0/s1
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2n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor compounds, prepared at 3× the desired final concentration in 1×BACE assay buffer (20 mM sodium acetate pH 5.0, 10% glycerol, 0....


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


(Homo sapiens (Human))
BDBM247278
PNG
(US9447085, 3)
Show SMILES COCC(=S)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)N(C)C(=N)N1
Show InChI InChI=1S/C14H19FN4O3S2/c1-14(8-24(20,21)19(2)13(16)18-14)10-6-9(4-5-11(10)15)17-12(23)7-22-3/h4-6H,7-8H2,1-3H3,(H2,16,18)(H,17,23)/t14-/m0/s1
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2n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor compounds, prepared at 3× the desired final concentration in 1×BACE assay buffer (20 mM sodium acetate pH 5.0, 10% glycerol, 0....


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


(Homo sapiens (Human))
BDBM247292
PNG
(US9447085, 8)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=S)c2ccc(Cl)cn2)cc(F)c1F
Show InChI InChI=1S/C17H16ClF2N5O2S2/c1-17(8-29(26,27)25(2)16(21)24-17)11-5-10(6-12(19)14(11)20)23-15(28)13-4-3-9(18)7-22-13/h3-7H,8H2,1-2H3,(H2,21,24)(H,23,28)/t17-/m0/s1
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2n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor compounds, prepared at 3× the desired final concentration in 1×BACE assay buffer (20 mM sodium acetate pH 5.0, 10% glycerol, 0....


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


(Homo sapiens (Human))
BDBM247282
PNG
(US9447085, 4c)
Show SMILES COc1cnc(cn1)C(=S)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)N(C)C(=N)N1
Show InChI InChI=1S/C17H19FN6O3S2/c1-17(9-29(25,26)24(2)16(19)23-17)11-6-10(4-5-12(11)18)22-15(28)13-7-21-14(27-3)8-20-13/h4-8H,9H2,1-3H3,(H2,19,23)(H,22,28)/t17-/m0/s1
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3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
This assay monitors the increase of 620 nm fluorescence that resulted from BACE1 cleavage of an APPswedish APPswe mutant peptide FRET substrate (QSY7...


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


(Homo sapiens (Human))
BDBM247289
PNG
(US9447085, 12)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=S)c2ccc(F)cn2)cc(F)c1F
Show InChI InChI=1S/C17H16F3N5O2S2/c1-17(8-29(26,27)25(2)16(21)24-17)11-5-10(6-12(19)14(11)20)23-15(28)13-4-3-9(18)7-22-13/h3-7H,8H2,1-2H3,(H2,21,24)(H,23,28)/t17-/m0/s1
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3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor compounds, prepared at 3× the desired final concentration in 1×BACE assay buffer (20 mM sodium acetate pH 5.0, 10% glycerol, 0....


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


(Homo sapiens (Human))
BDBM247282
PNG
(US9447085, 4c)
Show SMILES COc1cnc(cn1)C(=S)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)N(C)C(=N)N1
Show InChI InChI=1S/C17H19FN6O3S2/c1-17(9-29(25,26)24(2)16(19)23-17)11-6-10(4-5-12(11)18)22-15(28)13-7-21-14(27-3)8-20-13/h4-8H,9H2,1-3H3,(H2,19,23)(H,22,28)/t17-/m0/s1
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4n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor compounds, prepared at 3× the desired final concentration in 1×BACE assay buffer (20 mM sodium acetate pH 5.0, 10% glycerol, 0....


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


(Homo sapiens (Human))
BDBM247287
PNG
(US9447085, 10)
Show SMILES COCC(=S)Nc1cc(F)c(F)c(c1)[C@]1(C)CS(=O)(=O)N(C)C(=N)N1
Show InChI InChI=1S/C14H18F2N4O3S2/c1-14(7-25(21,22)20(2)13(17)19-14)9-4-8(5-10(15)12(9)16)18-11(24)6-23-3/h4-5H,6-7H2,1-3H3,(H2,17,19)(H,18,24)/t14-/m0/s1
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6n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor compounds, prepared at 3× the desired final concentration in 1×BACE assay buffer (20 mM sodium acetate pH 5.0, 10% glycerol, 0....


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


(Homo sapiens (Human))
BDBM247280
PNG
(US9447085, 4a)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=S)c2ccc(cn2)C(F)(F)F)ccc1F
Show InChI InChI=1S/C18H17F4N5O2S2/c1-17(9-31(28,29)27(2)16(23)26-17)12-7-11(4-5-13(12)19)25-15(30)14-6-3-10(8-24-14)18(20,21)22/h3-8H,9H2,1-2H3,(H2,23,26)(H,25,30)/t17-/m0/s1
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7n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor compounds, prepared at 3× the desired final concentration in 1×BACE assay buffer (20 mM sodium acetate pH 5.0, 10% glycerol, 0....


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


(Homo sapiens (Human))
BDBM247279
PNG
(US9447085, 4)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=S)C(F)F)ccc1F
Show InChI InChI=1S/C13H15F3N4O2S2/c1-13(6-24(21,22)20(2)12(17)19-13)8-5-7(3-4-9(8)14)18-11(23)10(15)16/h3-5,10H,6H2,1-2H3,(H2,17,19)(H,18,23)/t13-/m0/s1
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7n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor compounds, prepared at 3× the desired final concentration in 1×BACE assay buffer (20 mM sodium acetate pH 5.0, 10% glycerol, 0....


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


(Homo sapiens (Human))
BDBM247291
PNG
(US9447085, 14)
Show SMILES COc1cnc(cn1)C(=S)Nc1cc(F)c(F)c(c1)[C@]1(C)CS(=O)(=O)N(C)C(=N)N1
Show InChI InChI=1S/C17H18F2N6O3S2/c1-17(8-30(26,27)25(2)16(20)24-17)10-4-9(5-11(18)14(10)19)23-15(29)12-6-22-13(28-3)7-21-12/h4-7H,8H2,1-3H3,(H2,20,24)(H,23,29)/t17-/m0/s1
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8n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
This assay monitors the increase of 620 nm fluorescence that resulted from BACE1 cleavage of an APPswedish APPswe mutant peptide FRET substrate (QSY7...


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


(Homo sapiens (Human))
BDBM247277
PNG
(US9447085, 2)
Show SMILES COc1ccc(nc1)C(=S)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)N(C)C(=N)N1
Show InChI InChI=1S/C18H20FN5O3S2/c1-18(10-29(25,26)24(2)17(20)23-18)13-8-11(4-6-14(13)19)22-16(28)15-7-5-12(27-3)9-21-15/h4-9H,10H2,1-3H3,(H2,20,23)(H,22,28)/t18-/m0/s1
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8n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor compounds, prepared at 3× the desired final concentration in 1×BACE assay buffer (20 mM sodium acetate pH 5.0, 10% glycerol, 0....


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


(Homo sapiens (Human))
BDBM247292
PNG
(US9447085, 8)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=S)c2ccc(Cl)cn2)cc(F)c1F
Show InChI InChI=1S/C17H16ClF2N5O2S2/c1-17(8-29(26,27)25(2)16(21)24-17)11-5-10(6-12(19)14(11)20)23-15(28)13-4-3-9(18)7-22-13/h3-7H,8H2,1-2H3,(H2,21,24)(H,23,28)/t17-/m0/s1
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9n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
This assay monitors the increase of 620 nm fluorescence that resulted from BACE1 cleavage of an APPswedish APPswe mutant peptide FRET substrate (QSY7...


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


(Homo sapiens (Human))
BDBM247276
PNG
(US9447085, 1)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=S)c2ccc(Cl)cn2)ccc1F
Show InChI InChI=1S/C17H17ClFN5O2S2/c1-17(9-28(25,26)24(2)16(20)23-17)12-7-11(4-5-13(12)19)22-15(27)14-6-3-10(18)8-21-14/h3-8H,9H2,1-2H3,(H2,20,23)(H,22,27)/t17-/m0/s1
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9.10n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
This assay monitors the increase of 620 nm fluorescence that resulted from BACE1 cleavage of an APPswedish APPswe mutant peptide FRET substrate (QSY7...


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


(Homo sapiens (Human))
BDBM247286
PNG
(US9447085, 9)
Show SMILES COc1ccc(nc1)C(=S)Nc1cc(F)c(F)c(c1)[C@]1(C)CS(=O)(=O)N(C)C(=N)N1
Show InChI InChI=1S/C18H19F2N5O3S2/c1-18(9-30(26,27)25(2)17(21)24-18)12-6-10(7-13(19)15(12)20)23-16(29)14-5-4-11(28-3)8-22-14/h4-8H,9H2,1-3H3,(H2,21,24)(H,23,29)/t18-/m0/s1
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15n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor compounds, prepared at 3× the desired final concentration in 1×BACE assay buffer (20 mM sodium acetate pH 5.0, 10% glycerol, 0....


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


(Homo sapiens (Human))
BDBM247289
PNG
(US9447085, 12)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=S)c2ccc(F)cn2)cc(F)c1F
Show InChI InChI=1S/C17H16F3N5O2S2/c1-17(8-29(26,27)25(2)16(21)24-17)11-5-10(6-12(19)14(11)20)23-15(28)13-4-3-9(18)7-22-13/h3-7H,8H2,1-2H3,(H2,21,24)(H,23,28)/t17-/m0/s1
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17n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
This assay monitors the increase of 620 nm fluorescence that resulted from BACE1 cleavage of an APPswedish APPswe mutant peptide FRET substrate (QSY7...


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


(Homo sapiens (Human))
BDBM247280
PNG
(US9447085, 4a)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=S)c2ccc(cn2)C(F)(F)F)ccc1F
Show InChI InChI=1S/C18H17F4N5O2S2/c1-17(9-31(28,29)27(2)16(23)26-17)12-7-11(4-5-13(12)19)25-15(30)14-6-3-10(8-24-14)18(20,21)22/h3-8H,9H2,1-2H3,(H2,23,26)(H,25,30)/t17-/m0/s1
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18n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
This assay monitors the increase of 620 nm fluorescence that resulted from BACE1 cleavage of an APPswedish APPswe mutant peptide FRET substrate (QSY7...


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


(Homo sapiens (Human))
BDBM247291
PNG
(US9447085, 14)
Show SMILES COc1cnc(cn1)C(=S)Nc1cc(F)c(F)c(c1)[C@]1(C)CS(=O)(=O)N(C)C(=N)N1
Show InChI InChI=1S/C17H18F2N6O3S2/c1-17(8-30(26,27)25(2)16(20)24-17)10-4-9(5-11(18)14(10)19)23-15(29)12-6-22-13(28-3)7-21-12/h4-7H,8H2,1-3H3,(H2,20,24)(H,23,29)/t17-/m0/s1
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18n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor compounds, prepared at 3× the desired final concentration in 1×BACE assay buffer (20 mM sodium acetate pH 5.0, 10% glycerol, 0....


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


(Homo sapiens (Human))
BDBM247290
PNG
(US9447085, 13)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=S)c2ccc(cn2)C(F)(F)F)cc(F)c1F
Show InChI InChI=1S/C18H16F5N5O2S2/c1-17(8-32(29,30)28(2)16(24)27-17)11-5-10(6-12(19)14(11)20)26-15(31)13-4-3-9(7-25-13)18(21,22)23/h3-7H,8H2,1-2H3,(H2,24,27)(H,26,31)/t17-/m0/s1
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21n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor compounds, prepared at 3× the desired final concentration in 1×BACE assay buffer (20 mM sodium acetate pH 5.0, 10% glycerol, 0....


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


(Homo sapiens (Human))
BDBM247281
PNG
(US9447085, 4b)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=S)c2ccc(F)cn2)ccc1F
Show InChI InChI=1S/C17H17F2N5O2S2/c1-17(9-28(25,26)24(2)16(20)23-17)12-7-11(4-5-13(12)19)22-15(27)14-6-3-10(18)8-21-14/h3-8H,9H2,1-2H3,(H2,20,23)(H,22,27)/t17-/m0/s1
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25n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
This assay monitors the increase of 620 nm fluorescence that resulted from BACE1 cleavage of an APPswedish APPswe mutant peptide FRET substrate (QSY7...


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


(Homo sapiens (Human))
BDBM247288
PNG
(US9447085, 11)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=S)C(F)F)cc(F)c1F
Show InChI InChI=1S/C13H14F4N4O2S2/c1-13(5-25(22,23)21(2)12(18)20-13)7-3-6(4-8(14)9(7)15)19-11(24)10(16)17/h3-4,10H,5H2,1-2H3,(H2,18,20)(H,19,24)/t13-/m0/s1
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28n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor compounds, prepared at 3× the desired final concentration in 1×BACE assay buffer (20 mM sodium acetate pH 5.0, 10% glycerol, 0....


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


(Homo sapiens (Human))
BDBM247290
PNG
(US9447085, 13)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=S)c2ccc(cn2)C(F)(F)F)cc(F)c1F
Show InChI InChI=1S/C18H16F5N5O2S2/c1-17(8-32(29,30)28(2)16(24)27-17)11-5-10(6-12(19)14(11)20)26-15(31)13-4-3-9(7-25-13)18(21,22)23/h3-7H,8H2,1-2H3,(H2,24,27)(H,26,31)/t17-/m0/s1
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30n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
This assay monitors the increase of 620 nm fluorescence that resulted from BACE1 cleavage of an APPswedish APPswe mutant peptide FRET substrate (QSY7...


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


(Homo sapiens (Human))
BDBM247286
PNG
(US9447085, 9)
Show SMILES COc1ccc(nc1)C(=S)Nc1cc(F)c(F)c(c1)[C@]1(C)CS(=O)(=O)N(C)C(=N)N1
Show InChI InChI=1S/C18H19F2N5O3S2/c1-18(9-30(26,27)25(2)17(21)24-18)12-6-10(7-13(19)15(12)20)23-16(29)14-5-4-11(28-3)8-22-14/h4-8H,9H2,1-3H3,(H2,21,24)(H,23,29)/t18-/m0/s1
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57n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
This assay monitors the increase of 620 nm fluorescence that resulted from BACE1 cleavage of an APPswedish APPswe mutant peptide FRET substrate (QSY7...


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


(Homo sapiens (Human))
BDBM247277
PNG
(US9447085, 2)
Show SMILES COc1ccc(nc1)C(=S)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)N(C)C(=N)N1
Show InChI InChI=1S/C18H20FN5O3S2/c1-18(10-29(25,26)24(2)17(20)23-18)13-8-11(4-6-14(13)19)22-16(28)15-7-5-12(27-3)9-21-15/h4-9H,10H2,1-3H3,(H2,20,23)(H,22,28)/t18-/m0/s1
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57n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
This assay monitors the increase of 620 nm fluorescence that resulted from BACE1 cleavage of an APPswedish APPswe mutant peptide FRET substrate (QSY7...


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


(Homo sapiens (Human))
BDBM247284
PNG
(US9447085, 6)
Show SMILES CO\N=C(\Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)N(C)C(=N)N1)c1ccc(Cl)cn1
Show InChI InChI=1S/C18H20ClFN6O3S/c1-18(10-30(27,28)26(2)17(21)24-18)13-8-12(5-6-14(13)20)23-16(25-29-3)15-7-4-11(19)9-22-15/h4-9H,10H2,1-3H3,(H2,21,24)(H,23,25)/t18-/m0/s1
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58n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor compounds, prepared at 3× the desired final concentration in 1×BACE assay buffer (20 mM sodium acetate pH 5.0, 10% glycerol, 0....


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


(Homo sapiens (Human))
BDBM247279
PNG
(US9447085, 4)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=S)C(F)F)ccc1F
Show InChI InChI=1S/C13H15F3N4O2S2/c1-13(6-24(21,22)20(2)12(17)19-13)8-5-7(3-4-9(8)14)18-11(23)10(15)16/h3-5,10H,6H2,1-2H3,(H2,17,19)(H,18,23)/t13-/m0/s1
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83n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
This assay monitors the increase of 620 nm fluorescence that resulted from BACE1 cleavage of an APPswedish APPswe mutant peptide FRET substrate (QSY7...


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


(Homo sapiens (Human))
BDBM247288
PNG
(US9447085, 11)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=S)C(F)F)cc(F)c1F
Show InChI InChI=1S/C13H14F4N4O2S2/c1-13(5-25(22,23)21(2)12(18)20-13)7-3-6(4-8(14)9(7)15)19-11(24)10(16)17/h3-4,10H,5H2,1-2H3,(H2,18,20)(H,19,24)/t13-/m0/s1
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95n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
This assay monitors the increase of 620 nm fluorescence that resulted from BACE1 cleavage of an APPswedish APPswe mutant peptide FRET substrate (QSY7...


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


(Homo sapiens (Human))
BDBM247285
PNG
(US9447085, 7)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=N)c2ccc(Br)cn2)ccc1F
Show InChI InChI=1S/C17H18BrFN6O2S/c1-17(9-28(26,27)25(2)16(21)24-17)12-7-11(4-5-13(12)19)23-15(20)14-6-3-10(18)8-22-14/h3-8H,9H2,1-2H3,(H2,20,23)(H2,21,24)/t17-/m0/s1
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148n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor compounds, prepared at 3× the desired final concentration in 1×BACE assay buffer (20 mM sodium acetate pH 5.0, 10% glycerol, 0....


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


(Homo sapiens (Human))
BDBM247278
PNG
(US9447085, 3)
Show SMILES COCC(=S)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)N(C)C(=N)N1
Show InChI InChI=1S/C14H19FN4O3S2/c1-14(8-24(20,21)19(2)13(16)18-14)10-6-9(4-5-11(10)15)17-12(23)7-22-3/h4-6H,7-8H2,1-3H3,(H2,16,18)(H,17,23)/t14-/m0/s1
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152n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
This assay monitors the increase of 620 nm fluorescence that resulted from BACE1 cleavage of an APPswedish APPswe mutant peptide FRET substrate (QSY7...


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


(Homo sapiens (Human))
BDBM247287
PNG
(US9447085, 10)
Show SMILES COCC(=S)Nc1cc(F)c(F)c(c1)[C@]1(C)CS(=O)(=O)N(C)C(=N)N1
Show InChI InChI=1S/C14H18F2N4O3S2/c1-14(7-25(21,22)20(2)13(17)19-14)9-4-8(5-10(15)12(9)16)18-11(24)6-23-3/h4-5H,6-7H2,1-3H3,(H2,17,19)(H,18,24)/t14-/m0/s1
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188n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
This assay monitors the increase of 620 nm fluorescence that resulted from BACE1 cleavage of an APPswedish APPswe mutant peptide FRET substrate (QSY7...


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


(Homo sapiens (Human))
BDBM247284
PNG
(US9447085, 6)
Show SMILES CO\N=C(\Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)N(C)C(=N)N1)c1ccc(Cl)cn1
Show InChI InChI=1S/C18H20ClFN6O3S/c1-18(10-30(27,28)26(2)17(21)24-18)13-8-12(5-6-14(13)20)23-16(25-29-3)15-7-4-11(19)9-22-15/h4-9H,10H2,1-3H3,(H2,21,24)(H,23,25)/t18-/m0/s1
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340n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
This assay monitors the increase of 620 nm fluorescence that resulted from BACE1 cleavage of an APPswedish APPswe mutant peptide FRET substrate (QSY7...


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


(Homo sapiens (Human))
BDBM247285
PNG
(US9447085, 7)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=N)c2ccc(Br)cn2)ccc1F
Show InChI InChI=1S/C17H18BrFN6O2S/c1-17(9-28(26,27)25(2)16(21)24-17)12-7-11(4-5-13(12)19)23-15(20)14-6-3-10(18)8-22-14/h3-8H,9H2,1-2H3,(H2,20,23)(H2,21,24)/t17-/m0/s1
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371n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
This assay monitors the increase of 620 nm fluorescence that resulted from BACE1 cleavage of an APPswedish APPswe mutant peptide FRET substrate (QSY7...


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


(Homo sapiens (Human))
BDBM247283
PNG
(US9447085, 5)
Show SMILES CO\N=C(\Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)N(C)C(=N)N1)c1ccc(OC)cn1
Show InChI InChI=1S/C19H23FN6O4S/c1-19(11-31(27,28)26(2)18(21)24-19)14-9-12(5-7-15(14)20)23-17(25-30-4)16-8-6-13(29-3)10-22-16/h5-10H,11H2,1-4H3,(H2,21,24)(H,23,25)/t19-/m0/s1
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US Patent
1.45E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor compounds, prepared at 3× the desired final concentration in 1×BACE assay buffer (20 mM sodium acetate pH 5.0, 10% glycerol, 0....


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