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Patent code US9422277

Compile Data Set for Download or QSAR
Found 170 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))
BDBM242938
PNG
(US9422277, 1)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1ccc([nH]1)-c1ccccc1
Show InChI InChI=1S/C19H19ClN4O2S2/c1-19(11-28(25,26)24(2)18(21)23-19)17-13(20)10-16(27-17)15-9-8-14(22-15)12-6-4-3-5-7-12/h3-10,22H,11H2,1-2H3,(H2,21,23)/t19-/m0/s1
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US Patent
0.690n/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))
BDBM242938
PNG
(US9422277, 1)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1ccc([nH]1)-c1ccccc1
Show InChI InChI=1S/C19H19ClN4O2S2/c1-19(11-28(25,26)24(2)18(21)23-19)17-13(20)10-16(27-17)15-9-8-14(22-15)12-6-4-3-5-7-12/h3-10,22H,11H2,1-2H3,(H2,21,23)/t19-/m0/s1
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2.10n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Varying concentrations of inhibitors at 3× the final desired concentration in a volume of 10 ul are preincubated with purified human BACE1 cata...


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


(Homo sapiens (Human))
BDBM242945
PNG
(US9422277, 8)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1ccc([nH]1)-c1nnco1
Show InChI InChI=1S/C15H15ClN6O3S2/c1-15(6-27(23,24)22(2)14(17)20-15)12-8(16)5-11(26-12)9-3-4-10(19-9)13-21-18-7-25-13/h3-5,7,19H,6H2,1-2H3,(H2,17,20)/t15-/m0/s1
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2.80n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Varying concentrations of inhibitors at 3× the final desired concentration in a volume of 10 ul are preincubated with purified human BACE1 cata...


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


(Homo sapiens (Human))
BDBM242957
PNG
(US9422277, 20)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccccc1
Show InChI InChI=1S/C17H16ClN5O3S2/c1-17(9-28(24,25)23(2)16(19)20-17)13-11(18)8-12(27-13)15-22-21-14(26-15)10-6-4-3-5-7-10/h3-8H,9H2,1-2H3,(H2,19,20)/t17-/m0/s1
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7.76n/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))
BDBM242946
PNG
(US9422277, 9)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1ccc([nH]1)-c1nnc(C)o1
Show InChI InChI=1S/C16H17ClN6O3S2/c1-8-21-22-14(26-8)11-5-4-10(19-11)12-6-9(17)13(27-12)16(2)7-28(24,25)23(3)15(18)20-16/h4-6,19H,7H2,1-3H3,(H2,18,20)/t16-/m0/s1
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8.10n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Varying concentrations of inhibitors at 3× the final desired concentration in a volume of 10 ul are preincubated with purified human BACE1 cata...


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


(Homo sapiens (Human))
BDBM242946
PNG
(US9422277, 9)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1ccc([nH]1)-c1nnc(C)o1
Show InChI InChI=1S/C16H17ClN6O3S2/c1-8-21-22-14(26-8)11-5-4-10(19-11)12-6-9(17)13(27-12)16(2)7-28(24,25)23(3)15(18)20-16/h4-6,19H,7H2,1-3H3,(H2,18,20)/t16-/m0/s1
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8.24n/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))
BDBM242959
PNG
(US9422277, 22 | US9422277, 84)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccc(F)cc1
Show InChI InChI=1S/C17H15ClFN5O3S2/c1-17(8-29(25,26)24(2)16(20)21-17)13-11(18)7-12(28-13)15-23-22-14(27-15)9-3-5-10(19)6-4-9/h3-7H,8H2,1-2H3,(H2,20,21)/t17-/m0/s1
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10.6n/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))
BDBM242945
PNG
(US9422277, 8)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1ccc([nH]1)-c1nnco1
Show InChI InChI=1S/C15H15ClN6O3S2/c1-15(6-27(23,24)22(2)14(17)20-15)12-8(16)5-11(26-12)9-3-4-10(19-9)13-21-18-7-25-13/h3-5,7,19H,6H2,1-2H3,(H2,17,20)/t15-/m0/s1
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10.9n/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))
BDBM242947
PNG
(US9422277, 10)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1ccc([nH]1)-c1nnc(o1)C1CC1
Show InChI InChI=1S/C18H19ClN6O3S2/c1-18(8-30(26,27)25(2)17(20)22-18)14-10(19)7-13(29-14)11-5-6-12(21-11)16-24-23-15(28-16)9-3-4-9/h5-7,9,21H,3-4,8H2,1-2H3,(H2,20,22)/t18-/m0/s1
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11.3n/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))
BDBM242959
PNG
(US9422277, 22 | US9422277, 84)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccc(F)cc1
Show InChI InChI=1S/C17H15ClFN5O3S2/c1-17(8-29(25,26)24(2)16(20)21-17)13-11(18)7-12(28-13)15-23-22-14(27-15)9-3-5-10(19)6-4-9/h3-7H,8H2,1-2H3,(H2,20,21)/t17-/m0/s1
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13.0n/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))
BDBM242956
PNG
(US9422277, 19)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1F)-c1nnc(o1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C17H15ClFN5O3S2/c1-17(8-29(25,26)24(2)16(20)21-17)13-11(19)7-12(28-13)15-23-22-14(27-15)9-3-5-10(18)6-4-9/h3-7H,8H2,1-2H3,(H2,20,21)/t17-/m0/s1
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13.6n/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))
BDBM242953
PNG
(US9422277, 16)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C17H15Cl2N5O3S2/c1-17(8-29(25,26)24(2)16(20)21-17)13-11(19)7-12(28-13)15-23-22-14(27-15)9-3-5-10(18)6-4-9/h3-7H,8H2,1-2H3,(H2,20,21)/t17-/m0/s1
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13.8n/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 2 (BACE2)


(Homo sapiens (Human))
BDBM242939
PNG
(US9422277, 2)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1ncc([nH]1)-c1ccccc1
Show InChI InChI=1S/C18H18ClN5O2S2/c1-18(10-28(25,26)24(2)17(20)23-18)15-12(19)8-14(27-15)16-21-9-13(22-16)11-6-4-3-5-7-11/h3-9H,10H2,1-2H3,(H2,20,23)(H,21,22)/t18-/m0/s1
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14.8n/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 2 (BACE2)


(Homo sapiens (Human))
BDBM242994
PNG
(US9422277, 57)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccc(Cl)cc1F
Show InChI InChI=1S/C17H14Cl2FN5O3S2/c1-17(7-30(26,27)25(2)16(21)22-17)13-10(19)6-12(29-13)15-24-23-14(28-15)9-4-3-8(18)5-11(9)20/h3-6H,7H2,1-2H3,(H2,21,22)/t17-/m0/s1
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16.8n/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 2 (BACE2)


(Homo sapiens (Human))
BDBM243022
PNG
(US9422277, 85)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1cnn(c1)-c1ccccc1
Show InChI InChI=1S/C18H18ClN5O2S2/c1-18(11-28(25,26)23(2)17(20)22-18)16-14(19)8-15(27-16)12-9-21-24(10-12)13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H2,20,22)/t18-/m0/s1
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27.9n/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))
BDBM242953
PNG
(US9422277, 16)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C17H15Cl2N5O3S2/c1-17(8-29(25,26)24(2)16(20)21-17)13-11(19)7-12(28-13)15-23-22-14(27-15)9-3-5-10(18)6-4-9/h3-7H,8H2,1-2H3,(H2,20,21)/t17-/m0/s1
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28.8n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Varying concentrations of inhibitors at 3× the final desired concentration in a volume of 10 ul are preincubated with purified human BACE1 cata...


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


(Homo sapiens (Human))
BDBM242978
PNG
(US9422277, 41)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ncco1
Show InChI InChI=1S/C14H13ClN6O4S2/c1-14(6-27(22,23)21(2)13(16)18-14)9-7(15)5-8(26-9)10-19-20-12(25-10)11-17-3-4-24-11/h3-5H,6H2,1-2H3,(H2,16,18)/t14-/m0/s1
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31.7n/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))
BDBM242956
PNG
(US9422277, 19)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1F)-c1nnc(o1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C17H15ClFN5O3S2/c1-17(8-29(25,26)24(2)16(20)21-17)13-11(19)7-12(28-13)15-23-22-14(27-15)9-3-5-10(18)6-4-9/h3-7H,8H2,1-2H3,(H2,20,21)/t17-/m0/s1
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31.9n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Varying concentrations of inhibitors at 3× the final desired concentration in a volume of 10 ul are preincubated with purified human BACE1 cata...


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


(Homo sapiens (Human))
BDBM242960
PNG
(US9422277, 23)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C18H15ClN6O3S2/c1-18(9-30(26,27)25(2)17(21)22-18)14-12(19)7-13(29-14)16-24-23-15(28-16)11-5-3-10(8-20)4-6-11/h3-7H,9H2,1-2H3,(H2,21,22)/t18-/m0/s1
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34.6n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Varying concentrations of inhibitors at 3× the final desired concentration in a volume of 10 ul are preincubated with purified human BACE1 cata...


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


(Homo sapiens (Human))
BDBM242954
PNG
(US9422277, 17)
Show SMILES COc1ccc(cc1)-c1nnc(o1)-c1cc(Cl)c(s1)[C@]1(C)CS(=O)(=O)N(C)C(=N)N1
Show InChI InChI=1S/C18H18ClN5O4S2/c1-18(9-30(25,26)24(2)17(20)21-18)14-12(19)8-13(29-14)16-23-22-15(28-16)10-4-6-11(27-3)7-5-10/h4-8H,9H2,1-3H3,(H2,20,21)/t18-/m0/s1
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34.6n/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))
BDBM242944
PNG
(US9422277, 7)
Show SMILES CC1CN=C(O1)c1ccc([nH]1)-c1cc(Cl)c(s1)[C@]1(C)CS(=O)(=O)N(C)C(=N)N1
Show InChI InChI=1S/C17H20ClN5O3S2/c1-9-7-20-15(26-9)12-5-4-11(21-12)13-6-10(18)14(27-13)17(2)8-28(24,25)23(3)16(19)22-17/h4-6,9,21H,7-8H2,1-3H3,(H2,19,22)/t9?,17-/m0/s1
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35n/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))
BDBM242954
PNG
(US9422277, 17)
Show SMILES COc1ccc(cc1)-c1nnc(o1)-c1cc(Cl)c(s1)[C@]1(C)CS(=O)(=O)N(C)C(=N)N1
Show InChI InChI=1S/C18H18ClN5O4S2/c1-18(9-30(25,26)24(2)17(20)21-18)14-12(19)8-13(29-14)16-23-22-15(28-16)10-4-6-11(27-3)7-5-10/h4-8H,9H2,1-3H3,(H2,20,21)/t18-/m0/s1
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38.6n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Varying concentrations of inhibitors at 3× the final desired concentration in a volume of 10 ul are preincubated with purified human BACE1 cata...


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


(Homo sapiens (Human))
BDBM242969
PNG
(US9422277, 32)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1nccs1
Show InChI InChI=1S/C14H13ClN6O3S3/c1-14(6-27(22,23)21(2)13(16)18-14)9-7(15)5-8(26-9)10-19-20-11(24-10)12-17-3-4-25-12/h3-5H,6H2,1-2H3,(H2,16,18)/t14-/m0/s1
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44.3n/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....


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


(Homo sapiens (Human))
BDBM242960
PNG
(US9422277, 23)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C18H15ClN6O3S2/c1-18(9-30(26,27)25(2)17(21)22-18)14-12(19)7-13(29-14)16-24-23-15(28-16)11-5-3-10(8-20)4-6-11/h3-7H,9H2,1-2H3,(H2,21,22)/t18-/m0/s1
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44.9n/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))
BDBM242948
PNG
(US9422277, 11)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(ccc1F)-c1ccc([nH]1)-c1nnco1
Show InChI InChI=1S/C17H17FN6O3S/c1-17(8-28(25,26)24(2)16(19)22-17)11-7-10(3-4-12(11)18)13-5-6-14(21-13)15-23-20-9-27-15/h3-7,9,21H,8H2,1-2H3,(H2,19,22)/t17-/m0/s1
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45n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Varying concentrations of inhibitors at 3× the final desired concentration in a volume of 10 ul are preincubated with purified human BACE1 cata...


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


(Homo sapiens (Human))
BDBM242994
PNG
(US9422277, 57)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccc(Cl)cc1F
Show InChI InChI=1S/C17H14Cl2FN5O3S2/c1-17(7-30(26,27)25(2)16(21)22-17)13-10(19)6-12(29-13)15-24-23-14(28-15)9-4-3-8(18)5-11(9)20/h3-6H,7H2,1-2H3,(H2,21,22)/t17-/m0/s1
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50.7n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Varying concentrations of inhibitors at 3× the final desired concentration in a volume of 10 ul are preincubated with purified human BACE1 cata...


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


(Homo sapiens (Human))
BDBM243016
PNG
(US9422277, 79)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccc(OC(F)F)cc1
Show InChI InChI=1S/C18H16ClF2N5O4S2/c1-18(8-32(27,28)26(2)17(22)23-18)13-11(19)7-12(31-13)15-25-24-14(30-15)9-3-5-10(6-4-9)29-16(20)21/h3-7,16H,8H2,1-2H3,(H2,22,23)/t18-/m0/s1
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51.6n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Varying concentrations of inhibitors at 3× the final desired concentration in a volume of 10 ul are preincubated with purified human BACE1 cata...


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


(Homo sapiens (Human))
BDBM242950
PNG
(US9422277, 13 | US9422277, 15)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(ccc1F)-c1cc(on1)-c1ccccc1
Show InChI InChI=1S/C20H19FN4O3S/c1-20(12-29(26,27)25(2)19(22)23-20)15-10-14(8-9-16(15)21)17-11-18(28-24-17)13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H2,22,23)/t20-/m0/s1
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52.6n/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 1


(Homo sapiens (Human))
BDBM243015
PNG
(US9422277, 78)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C18H15ClF3N5O4S2/c1-17(8-33(28,29)27(2)16(23)24-17)13-11(19)7-12(32-13)15-26-25-14(30-15)9-3-5-10(6-4-9)31-18(20,21)22/h3-7H,8H2,1-2H3,(H2,23,24)/t17-/m0/s1
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56.0n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Varying concentrations of inhibitors at 3× the final desired concentration in a volume of 10 ul are preincubated with purified human BACE1 cata...


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


(Homo sapiens (Human))
BDBM242958
PNG
(US9422277, 21)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccccn1
Show InChI InChI=1S/C16H15ClN6O3S2/c1-16(8-28(24,25)23(2)15(18)20-16)12-9(17)7-11(27-12)14-22-21-13(26-14)10-5-3-4-6-19-10/h3-7H,8H2,1-2H3,(H2,18,20)/t16-/m0/s1
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58.4n/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 1


(Homo sapiens (Human))
BDBM242955
PNG
(US9422277, 18)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C18H15ClF3N5O3S2/c1-17(8-32(28,29)27(2)16(23)24-17)13-11(19)7-12(31-13)15-26-25-14(30-15)9-3-5-10(6-4-9)18(20,21)22/h3-7H,8H2,1-2H3,(H2,23,24)/t17-/m0/s1
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58.9n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Varying concentrations of inhibitors at 3× the final desired concentration in a volume of 10 ul are preincubated with purified human BACE1 cata...


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


(Homo sapiens (Human))
BDBM242959
PNG
(US9422277, 22 | US9422277, 84)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccc(F)cc1
Show InChI InChI=1S/C17H15ClFN5O3S2/c1-17(8-29(25,26)24(2)16(20)21-17)13-11(18)7-12(28-13)15-23-22-14(27-15)9-3-5-10(19)6-4-9/h3-7H,8H2,1-2H3,(H2,20,21)/t17-/m0/s1
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65.5n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Varying concentrations of inhibitors at 3× the final desired concentration in a volume of 10 ul are preincubated with purified human BACE1 cata...


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


(Homo sapiens (Human))
BDBM242943
PNG
(US9422277, 6)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1ccc([nH]1)C1=NCCO1
Show InChI InChI=1S/C16H18ClN5O3S2/c1-16(8-27(23,24)22(2)15(18)21-16)13-9(17)7-12(26-13)10-3-4-11(20-10)14-19-5-6-25-14/h3-4,7,20H,5-6,8H2,1-2H3,(H2,18,21)/t16-/m0/s1
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69n/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))
BDBM242974
PNG
(US9422277, 37)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1cscn1
Show InChI InChI=1S/C14H13ClN6O3S3/c1-14(5-27(22,23)21(2)13(16)18-14)10-7(15)3-9(26-10)12-20-19-11(24-12)8-4-25-6-17-8/h3-4,6H,5H2,1-2H3,(H2,16,18)/t14-/m0/s1
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69.1n/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))
BDBM242996
PNG
(US9422277, 59)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccc(F)c(F)c1
Show InChI InChI=1S/C17H14ClF2N5O3S2/c1-17(7-30(26,27)25(2)16(21)22-17)13-9(18)6-12(29-13)15-24-23-14(28-15)8-3-4-10(19)11(20)5-8/h3-6H,7H2,1-2H3,(H2,21,22)/t17-/m0/s1
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81.3n/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 1


(Homo sapiens (Human))
BDBM242999
PNG
(US9422277, 62)
Show SMILES CCCOc1ccc(cc1)-c1nnc(o1)-c1cc(Cl)c(s1)[C@]1(C)CS(=O)(=O)N(C)C(=N)N1
Show InChI InChI=1S/C20H22ClN5O4S2/c1-4-9-29-13-7-5-12(6-8-13)17-24-25-18(30-17)15-10-14(21)16(31-15)20(2)11-32(27,28)26(3)19(22)23-20/h5-8,10H,4,9,11H2,1-3H3,(H2,22,23)/t20-/m0/s1
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84.2n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Varying concentrations of inhibitors at 3× the final desired concentration in a volume of 10 ul are preincubated with purified human BACE1 cata...


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


(Homo sapiens (Human))
BDBM242947
PNG
(US9422277, 10)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1ccc([nH]1)-c1nnc(o1)C1CC1
Show InChI InChI=1S/C18H19ClN6O3S2/c1-18(8-30(26,27)25(2)17(20)22-18)14-10(19)7-13(29-14)11-5-6-12(21-11)16-24-23-15(28-16)9-3-4-9/h5-7,9,21H,3-4,8H2,1-2H3,(H2,20,22)/t18-/m0/s1
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87n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Varying concentrations of inhibitors at 3× the final desired concentration in a volume of 10 ul are preincubated with purified human BACE1 cata...


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


(Homo sapiens (Human))
BDBM242944
PNG
(US9422277, 7)
Show SMILES CC1CN=C(O1)c1ccc([nH]1)-c1cc(Cl)c(s1)[C@]1(C)CS(=O)(=O)N(C)C(=N)N1
Show InChI InChI=1S/C17H20ClN5O3S2/c1-9-7-20-15(26-9)12-5-4-11(21-12)13-6-10(18)14(27-13)17(2)8-28(24,25)23(3)16(19)22-17/h4-6,9,21H,7-8H2,1-3H3,(H2,19,22)/t9?,17-/m0/s1
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87n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Varying concentrations of inhibitors at 3× the final desired concentration in a volume of 10 ul are preincubated with purified human BACE1 cata...


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


(Homo sapiens (Human))
BDBM242940
PNG
(US9422277, 3)
Show SMILES CN1\C(N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1ncc([nH]1)-c1ccccn1)=N/C(=O)OC(C)(C)C
Show InChI InChI=1S/C22H25ClN6O4S2/c1-21(2,3)33-20(30)27-19-28-22(4,12-35(31,32)29(19)5)17-13(23)10-16(34-17)18-25-11-15(26-18)14-8-6-7-9-24-14/h6-11H,12H2,1-5H3,(H,25,26)(H,27,28,30)/t22-/m0/s1
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87.9n/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))
BDBM242967
PNG
(US9422277, 30)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1cc2ccccn2n1
Show InChI InChI=1S/C18H16ClN7O3S2/c1-18(9-31(27,28)25(2)17(20)21-18)14-11(19)8-13(30-14)16-23-22-15(29-16)12-7-10-5-3-4-6-26(10)24-12/h3-8H,9H2,1-2H3,(H2,20,21)/t18-/m0/s1
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96.8n/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....


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


(Homo sapiens (Human))
BDBM242998
PNG
(US9422277, 61)
Show SMILES CCCCOc1ccc(cc1)-c1nnc(o1)-c1cc(Cl)c(s1)[C@]1(C)CS(=O)(=O)N(C)C(=N)N1
Show InChI InChI=1S/C21H24ClN5O4S2/c1-4-5-10-30-14-8-6-13(7-9-14)18-25-26-19(31-18)16-11-15(22)17(32-16)21(2)12-33(28,29)27(3)20(23)24-21/h6-9,11H,4-5,10,12H2,1-3H3,(H2,23,24)/t21-/m0/s1
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100n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Varying concentrations of inhibitors at 3× the final desired concentration in a volume of 10 ul are preincubated with purified human BACE1 cata...


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


(Homo sapiens (Human))
BDBM242959
PNG
(US9422277, 22 | US9422277, 84)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccc(F)cc1
Show InChI InChI=1S/C17H15ClFN5O3S2/c1-17(8-29(25,26)24(2)16(20)21-17)13-11(18)7-12(28-13)15-23-22-14(27-15)9-3-5-10(19)6-4-9/h3-7H,8H2,1-2H3,(H2,20,21)/t17-/m0/s1
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102n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Varying concentrations of inhibitors at 3× the final desired concentration in a volume of 10 ul are preincubated with purified human BACE1 cata...


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


(Homo sapiens (Human))
BDBM242973
PNG
(US9422277, 36)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ncccn1
Show InChI InChI=1S/C15H14ClN7O3S2/c1-15(7-28(24,25)23(2)14(17)20-15)10-8(16)6-9(27-10)12-21-22-13(26-12)11-18-4-3-5-19-11/h3-6H,7H2,1-2H3,(H2,17,20)/t15-/m0/s1
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105n/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....


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


(Homo sapiens (Human))
BDBM242957
PNG
(US9422277, 20)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccccc1
Show InChI InChI=1S/C17H16ClN5O3S2/c1-17(9-28(24,25)23(2)16(19)20-17)13-11(18)8-12(27-13)15-22-21-14(26-15)10-6-4-3-5-7-10/h3-8H,9H2,1-2H3,(H2,19,20)/t17-/m0/s1
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106n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Varying concentrations of inhibitors at 3× the final desired concentration in a volume of 10 ul are preincubated with purified human BACE1 cata...


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


(Homo sapiens (Human))
BDBM243013
PNG
(US9422277, 76)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccc(cc1)-c1ccon1
Show InChI InChI=1S/C20H17ClN6O4S2/c1-20(10-33(28,29)27(2)19(22)23-20)16-13(21)9-15(32-16)18-25-24-17(31-18)12-5-3-11(4-6-12)14-7-8-30-26-14/h3-9H,10H2,1-2H3,(H2,22,23)/t20-/m0/s1
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109n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Varying concentrations of inhibitors at 3× the final desired concentration in a volume of 10 ul are preincubated with purified human BACE1 cata...


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


(Homo sapiens (Human))
BDBM242939
PNG
(US9422277, 2)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1ncc([nH]1)-c1ccccc1
Show InChI InChI=1S/C18H18ClN5O2S2/c1-18(10-28(25,26)24(2)17(20)23-18)15-12(19)8-14(27-15)16-21-9-13(22-16)11-6-4-3-5-7-11/h3-9H,10H2,1-2H3,(H2,20,23)(H,21,22)/t18-/m0/s1
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112n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Varying concentrations of inhibitors at 3× the final desired concentration in a volume of 10 ul are preincubated with purified human BACE1 cata...


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


(Homo sapiens (Human))
BDBM242985
PNG
(US9422277, 48)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)C1CC1
Show InChI InChI=1S/C14H16ClN5O3S2/c1-14(6-25(21,22)20(2)13(16)17-14)10-8(15)5-9(24-10)12-19-18-11(23-12)7-3-4-7/h5,7H,3-4,6H2,1-2H3,(H2,16,17)/t14-/m0/s1
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116n/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))
BDBM242996
PNG
(US9422277, 59)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccc(F)c(F)c1
Show InChI InChI=1S/C17H14ClF2N5O3S2/c1-17(7-30(26,27)25(2)16(21)22-17)13-9(18)6-12(29-13)15-24-23-14(28-15)8-3-4-10(19)11(20)5-8/h3-6H,7H2,1-2H3,(H2,21,22)/t17-/m0/s1
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118n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Varying concentrations of inhibitors at 3× the final desired concentration in a volume of 10 ul are preincubated with purified human BACE1 cata...


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


(Homo sapiens (Human))
BDBM242975
PNG
(US9422277, 38)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)C1Cc2ccccc2C1
Show InChI InChI=1S/C20H20ClN5O3S2/c1-20(10-31(27,28)26(2)19(22)23-20)16-14(21)9-15(30-16)18-25-24-17(29-18)13-7-11-5-3-4-6-12(11)8-13/h3-6,9,13H,7-8,10H2,1-2H3,(H2,22,23)/t20-/m0/s1
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124n/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))
BDBM242983
PNG
(US9422277, 46)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccn(C)n1
Show InChI InChI=1S/C15H16ClN7O3S2/c1-15(7-28(24,25)23(3)14(17)18-15)11-8(16)6-10(27-11)13-20-19-12(26-13)9-4-5-22(2)21-9/h4-6H,7H2,1-3H3,(H2,17,18)/t15-/m0/s1
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130n/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))
BDBM243016
PNG
(US9422277, 79)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccc(OC(F)F)cc1
Show InChI InChI=1S/C18H16ClF2N5O4S2/c1-18(8-32(27,28)26(2)17(22)23-18)13-11(19)7-12(31-13)15-25-24-14(30-15)9-3-5-10(6-4-9)29-16(20)21/h3-7,16H,8H2,1-2H3,(H2,22,23)/t18-/m0/s1
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132n/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))
BDBM243017
PNG
(US9422277, 80)
Show SMILES COC(=O)Cc1ccc(cc1)-c1nnc(o1)-c1cc(Cl)c(s1)[C@]1(C)CS(=O)(=O)N(C)C(=N)N1
Show InChI InChI=1S/C20H20ClN5O5S2/c1-20(10-33(28,29)26(2)19(22)23-20)16-13(21)9-14(32-16)18-25-24-17(31-18)12-6-4-11(5-7-12)8-15(27)30-3/h4-7,9H,8,10H2,1-3H3,(H2,22,23)/t20-/m0/s1
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138n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Varying concentrations of inhibitors at 3× the final desired concentration in a volume of 10 ul are preincubated with purified human BACE1 cata...


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


(Homo sapiens (Human))
BDBM242977
PNG
(US9422277, 40)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1cnco1
Show InChI InChI=1S/C14H13ClN6O4S2/c1-14(5-27(22,23)21(2)13(16)18-14)10-7(15)3-9(26-10)12-20-19-11(25-12)8-4-17-6-24-8/h3-4,6H,5H2,1-2H3,(H2,16,18)/t14-/m0/s1
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142n/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))
BDBM242979
PNG
(US9422277, 42)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1cocn1
Show InChI InChI=1S/C14H13ClN6O4S2/c1-14(5-27(22,23)21(2)13(16)18-14)10-7(15)3-9(26-10)12-20-19-11(25-12)8-4-24-6-17-8/h3-4,6H,5H2,1-2H3,(H2,16,18)/t14-/m0/s1
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143n/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))
BDBM243015
PNG
(US9422277, 78)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C18H15ClF3N5O4S2/c1-17(8-33(28,29)27(2)16(23)24-17)13-11(19)7-12(32-13)15-26-25-14(30-15)9-3-5-10(6-4-9)31-18(20,21)22/h3-7H,8H2,1-2H3,(H2,23,24)/t17-/m0/s1
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143n/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))
BDBM242951
PNG
(US9422277, 14)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1cc(no1)-c1ccccc1
Show InChI InChI=1S/C18H17ClN4O3S2/c1-18(10-28(24,25)23(2)17(20)21-18)16-12(19)8-15(27-16)14-9-13(22-26-14)11-6-4-3-5-7-11/h3-9H,10H2,1-2H3,(H2,20,21)/t18-/m0/s1
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144n/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))
BDBM242955
PNG
(US9422277, 18)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C18H15ClF3N5O3S2/c1-17(8-32(28,29)27(2)16(23)24-17)13-11(19)7-12(31-13)15-26-25-14(30-15)9-3-5-10(6-4-9)18(20,21)22/h3-7H,8H2,1-2H3,(H2,23,24)/t17-/m0/s1
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155n/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))
BDBM243008
PNG
(US9422277, 71)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccc(cc1)-n1cccn1
Show InChI InChI=1S/C20H18ClN7O3S2/c1-20(11-33(29,30)27(2)19(22)24-20)16-14(21)10-15(32-16)18-26-25-17(31-18)12-4-6-13(7-5-12)28-9-3-8-23-28/h3-10H,11H2,1-2H3,(H2,22,24)/t20-/m0/s1
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155n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Varying concentrations of inhibitors at 3× the final desired concentration in a volume of 10 ul are preincubated with purified human BACE1 cata...


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


(Homo sapiens (Human))
BDBM243002
PNG
(US9422277, 65)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccc(c(F)c1)C(F)(F)F
Show InChI InChI=1S/C18H14ClF4N5O3S2/c1-17(7-33(29,30)28(2)16(24)25-17)13-10(19)6-12(32-13)15-27-26-14(31-15)8-3-4-9(11(20)5-8)18(21,22)23/h3-6H,7H2,1-2H3,(H2,24,25)/t17-/m0/s1
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156n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Varying concentrations of inhibitors at 3× the final desired concentration in a volume of 10 ul are preincubated with purified human BACE1 cata...


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


(Homo sapiens (Human))
BDBM242981
PNG
(US9422277, 44)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccon1
Show InChI InChI=1S/C14H13ClN6O4S2/c1-14(6-27(22,23)21(2)13(16)17-14)10-7(15)5-9(26-10)12-19-18-11(25-12)8-3-4-24-20-8/h3-5H,6H2,1-2H3,(H2,16,17)/t14-/m0/s1
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157n/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))
BDBM243001
PNG
(US9422277, 64)
Show SMILES CCCCCOc1ccc(cc1)-c1nnc(o1)-c1cc(Cl)c(s1)[C@]1(C)CS(=O)(=O)N(C)C(=N)N1
Show InChI InChI=1S/C22H26ClN5O4S2/c1-4-5-6-11-31-15-9-7-14(8-10-15)19-26-27-20(32-19)17-12-16(23)18(33-17)22(2)13-34(29,30)28(3)21(24)25-22/h7-10,12H,4-6,11,13H2,1-3H3,(H2,24,25)/t22-/m0/s1
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160n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Varying concentrations of inhibitors at 3× the final desired concentration in a volume of 10 ul are preincubated with purified human BACE1 cata...


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


(Homo sapiens (Human))
BDBM243012
PNG
(US9422277, 75)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccc(cn1)C(F)(F)F
Show InChI InChI=1S/C17H14ClF3N6O3S2/c1-16(7-32(28,29)27(2)15(22)24-16)12-9(18)5-11(31-12)14-26-25-13(30-14)10-4-3-8(6-23-10)17(19,20)21/h3-6H,7H2,1-2H3,(H2,22,24)/t16-/m0/s1
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165n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Varying concentrations of inhibitors at 3× the final desired concentration in a volume of 10 ul are preincubated with purified human BACE1 cata...


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


(Homo sapiens (Human))
BDBM243010
PNG
(US9422277, 73)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccc2scnc2c1
Show InChI InChI=1S/C18H15ClN6O3S3/c1-18(7-31(26,27)25(2)17(20)22-18)14-10(19)6-13(30-14)16-24-23-15(28-16)9-3-4-12-11(5-9)21-8-29-12/h3-6,8H,7H2,1-2H3,(H2,20,22)/t18-/m0/s1
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171n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Varying concentrations of inhibitors at 3× the final desired concentration in a volume of 10 ul are preincubated with purified human BACE1 cata...


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


(Homo sapiens (Human))
BDBM242948
PNG
(US9422277, 11)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(ccc1F)-c1ccc([nH]1)-c1nnco1
Show InChI InChI=1S/C17H17FN6O3S/c1-17(8-28(25,26)24(2)16(19)22-17)11-7-10(3-4-12(11)18)13-5-6-14(21-13)15-23-20-9-27-15/h3-7,9,21H,8H2,1-2H3,(H2,19,22)/t17-/m0/s1
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172n/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))
BDBM243007
PNG
(US9422277, 70)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccc(cc1)-n1cnnn1
Show InChI InChI=1S/C18H16ClN9O3S2/c1-18(8-33(29,30)27(2)17(20)22-18)14-12(19)7-13(32-14)16-24-23-15(31-16)10-3-5-11(6-4-10)28-9-21-25-26-28/h3-7,9H,8H2,1-2H3,(H2,20,22)/t18-/m0/s1
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180n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Varying concentrations of inhibitors at 3× the final desired concentration in a volume of 10 ul are preincubated with purified human BACE1 cata...


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


(Homo sapiens (Human))
BDBM243008
PNG
(US9422277, 71)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccc(cc1)-n1cccn1
Show InChI InChI=1S/C20H18ClN7O3S2/c1-20(11-33(29,30)27(2)19(22)24-20)16-14(21)10-15(32-16)18-26-25-17(31-18)12-4-6-13(7-5-12)28-9-3-8-23-28/h3-10H,11H2,1-2H3,(H2,22,24)/t20-/m0/s1
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181n/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....


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


(Homo sapiens (Human))
BDBM242990
PNG
(US9422277, 53)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(ccc1F)-c1nnc(o1)-c1ncco1
Show InChI InChI=1S/C16H15FN6O4S/c1-16(8-28(24,25)23(2)15(18)20-16)10-7-9(3-4-11(10)17)12-21-22-14(27-12)13-19-5-6-26-13/h3-7H,8H2,1-2H3,(H2,18,20)/t16-/m0/s1
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186n/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))
BDBM242997
PNG
(US9422277, 60)
Show SMILES CC(C)Oc1ccc(cc1)-c1nnc(o1)-c1cc(Cl)c(s1)[C@]1(C)CS(=O)(=O)N(C)C(=N)N1
Show InChI InChI=1S/C20H22ClN5O4S2/c1-11(2)29-13-7-5-12(6-8-13)17-24-25-18(30-17)15-9-14(21)16(31-15)20(3)10-32(27,28)26(4)19(22)23-20/h5-9,11H,10H2,1-4H3,(H2,22,23)/t20-/m0/s1
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205n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Varying concentrations of inhibitors at 3× the final desired concentration in a volume of 10 ul are preincubated with purified human BACE1 cata...


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


(Homo sapiens (Human))
BDBM242950
PNG
(US9422277, 13 | US9422277, 15)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(ccc1F)-c1cc(on1)-c1ccccc1
Show InChI InChI=1S/C20H19FN4O3S/c1-20(12-29(26,27)25(2)19(22)23-20)15-10-14(8-9-16(15)21)17-11-18(28-24-17)13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H2,22,23)/t20-/m0/s1
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207n/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))
BDBM242971
PNG
(US9422277, 34)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1cccc2ccnn12
Show InChI InChI=1S/C18H16ClN7O3S2/c1-18(9-31(27,28)25(2)17(20)22-18)14-11(19)8-13(30-14)16-24-23-15(29-16)12-5-3-4-10-6-7-21-26(10)12/h3-8H,9H2,1-2H3,(H2,20,22)/t18-/m0/s1
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217n/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))
BDBM242982
PNG
(US9422277, 45)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1cnn(C)c1
Show InChI InChI=1S/C15H16ClN7O3S2/c1-15(7-28(24,25)23(3)14(17)19-15)11-9(16)4-10(27-11)13-21-20-12(26-13)8-5-18-22(2)6-8/h4-6H,7H2,1-3H3,(H2,17,19)/t15-/m0/s1
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226n/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))
BDBM243000
PNG
(US9422277, 63)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C24H22ClN5O4S2/c1-24(14-36(31,32)30(2)23(26)27-24)20-18(25)12-19(35-20)22-29-28-21(34-22)16-8-10-17(11-9-16)33-13-15-6-4-3-5-7-15/h3-12H,13-14H2,1-2H3,(H2,26,27)/t24-/m0/s1
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227n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Varying concentrations of inhibitors at 3× the final desired concentration in a volume of 10 ul are preincubated with purified human BACE1 cata...


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


(Homo sapiens (Human))
BDBM243013
PNG
(US9422277, 76)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccc(cc1)-c1ccon1
Show InChI InChI=1S/C20H17ClN6O4S2/c1-20(10-33(28,29)27(2)19(22)23-20)16-13(21)9-15(32-16)18-25-24-17(31-18)12-5-3-11(4-6-12)14-7-8-30-26-14/h3-9H,10H2,1-2H3,(H2,22,23)/t20-/m0/s1
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243n/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))
BDBM242977
PNG
(US9422277, 40)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1cnco1
Show InChI InChI=1S/C14H13ClN6O4S2/c1-14(5-27(22,23)21(2)13(16)18-14)10-7(15)3-9(26-10)12-20-19-11(25-12)8-4-17-6-24-8/h3-4,6H,5H2,1-2H3,(H2,16,18)/t14-/m0/s1
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250n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Varying concentrations of inhibitors at 3× the final desired concentration in a volume of 10 ul are preincubated with purified human BACE1 cata...


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


(Homo sapiens (Human))
BDBM242975
PNG
(US9422277, 38)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)C1Cc2ccccc2C1
Show InChI InChI=1S/C20H20ClN5O3S2/c1-20(10-31(27,28)26(2)19(22)23-20)16-14(21)9-15(30-16)18-25-24-17(29-18)13-7-11-5-3-4-6-12(11)8-13/h3-6,9,13H,7-8,10H2,1-2H3,(H2,22,23)/t20-/m0/s1
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255n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Varying concentrations of inhibitors at 3× the final desired concentration in a volume of 10 ul are preincubated with purified human BACE1 cata...


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


(Homo sapiens (Human))
BDBM242998
PNG
(US9422277, 61)
Show SMILES CCCCOc1ccc(cc1)-c1nnc(o1)-c1cc(Cl)c(s1)[C@]1(C)CS(=O)(=O)N(C)C(=N)N1
Show InChI InChI=1S/C21H24ClN5O4S2/c1-4-5-10-30-14-8-6-13(7-9-14)18-25-26-19(31-18)16-11-15(22)17(32-16)21(2)12-33(28,29)27(3)20(23)24-21/h6-9,11H,4-5,10,12H2,1-3H3,(H2,23,24)/t21-/m0/s1
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258n/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))
BDBM243014
PNG
(US9422277, 77)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccc(cc1)-c1noc(n1)C(F)(F)F
Show InChI InChI=1S/C20H15ClF3N7O4S2/c1-19(8-37(32,33)31(2)18(25)27-19)13-11(21)7-12(36-13)16-29-28-15(34-16)10-5-3-9(4-6-10)14-26-17(35-30-14)20(22,23)24/h3-7H,8H2,1-2H3,(H2,25,27)/t19-/m0/s1
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258n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Varying concentrations of inhibitors at 3× the final desired concentration in a volume of 10 ul are preincubated with purified human BACE1 cata...


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


(Homo sapiens (Human))
BDBM242967
PNG
(US9422277, 30)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1cc2ccccn2n1
Show InChI InChI=1S/C18H16ClN7O3S2/c1-18(9-31(27,28)25(2)17(20)21-18)14-11(19)8-13(30-14)16-23-22-15(29-16)12-7-10-5-3-4-6-26(10)24-12/h3-8H,9H2,1-2H3,(H2,20,21)/t18-/m0/s1
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260n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Varying concentrations of inhibitors at 3× the final desired concentration in a volume of 10 ul are preincubated with purified human BACE1 cata...


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


(Homo sapiens (Human))
BDBM243022
PNG
(US9422277, 85)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1cnn(c1)-c1ccccc1
Show InChI InChI=1S/C18H18ClN5O2S2/c1-18(11-28(25,26)23(2)17(20)22-18)16-14(19)8-15(27-16)12-9-21-24(10-12)13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H2,20,22)/t18-/m0/s1
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265n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Varying concentrations of inhibitors at 3× the final desired concentration in a volume of 10 ul are preincubated with purified human BACE1 cata...


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


(Homo sapiens (Human))
BDBM242943
PNG
(US9422277, 6)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1ccc([nH]1)C1=NCCO1
Show InChI InChI=1S/C16H18ClN5O3S2/c1-16(8-27(23,24)22(2)15(18)21-16)13-9(17)7-12(26-13)10-3-4-11(20-10)14-19-5-6-25-14/h3-4,7,20H,5-6,8H2,1-2H3,(H2,18,21)/t16-/m0/s1
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270n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Varying concentrations of inhibitors at 3× the final desired concentration in a volume of 10 ul are preincubated with purified human BACE1 cata...


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


(Homo sapiens (Human))
BDBM242942
PNG
(US9422277, 5)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1cn(nn1)-c1ccccc1
Show InChI InChI=1S/C17H17ClN6O2S2/c1-17(10-28(25,26)23(2)16(19)20-17)15-12(18)8-14(27-15)13-9-24(22-21-13)11-6-4-3-5-7-11/h3-9H,10H2,1-2H3,(H2,19,20)/t17-/m0/s1
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281n/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))
BDBM242964
PNG
(US9422277, 27)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1cnccn1
Show InChI InChI=1S/C15H14ClN7O3S2/c1-15(7-28(24,25)23(2)14(17)20-15)11-8(16)5-10(27-11)13-22-21-12(26-13)9-6-18-3-4-19-9/h3-6H,7H2,1-2H3,(H2,17,20)/t15-/m0/s1
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284n/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))
BDBM243012
PNG
(US9422277, 75)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccc(cn1)C(F)(F)F
Show InChI InChI=1S/C17H14ClF3N6O3S2/c1-16(7-32(28,29)27(2)15(22)24-16)12-9(18)5-11(31-12)14-26-25-13(30-14)10-4-3-8(6-23-10)17(19,20)21/h3-6H,7H2,1-2H3,(H2,22,24)/t16-/m0/s1
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303n/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))
BDBM242980
PNG
(US9422277, 43)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccncn1
Show InChI InChI=1S/C15H14ClN7O3S2/c1-15(6-28(24,25)23(2)14(17)20-15)11-8(16)5-10(27-11)13-22-21-12(26-13)9-3-4-18-7-19-9/h3-5,7H,6H2,1-2H3,(H2,17,20)/t15-/m0/s1
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305n/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....


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


(Homo sapiens (Human))
BDBM242999
PNG
(US9422277, 62)
Show SMILES CCCOc1ccc(cc1)-c1nnc(o1)-c1cc(Cl)c(s1)[C@]1(C)CS(=O)(=O)N(C)C(=N)N1
Show InChI InChI=1S/C20H22ClN5O4S2/c1-4-9-29-13-7-5-12(6-8-13)17-24-25-18(30-17)15-10-14(21)16(31-15)20(2)11-32(27,28)26(3)19(22)23-20/h5-8,10H,4,9,11H2,1-3H3,(H2,22,23)/t20-/m0/s1
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313n/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....


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


(Homo sapiens (Human))
BDBM242950
PNG
(US9422277, 13 | US9422277, 15)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(ccc1F)-c1cc(on1)-c1ccccc1
Show InChI InChI=1S/C20H19FN4O3S/c1-20(12-29(26,27)25(2)19(22)23-20)15-10-14(8-9-16(15)21)17-11-18(28-24-17)13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H2,22,23)/t20-/m0/s1
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326n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Varying concentrations of inhibitors at 3× the final desired concentration in a volume of 10 ul are preincubated with purified human BACE1 cata...


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


(Homo sapiens (Human))
BDBM242965
PNG
(US9422277, 28)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccncc1
Show InChI InChI=1S/C16H15ClN6O3S2/c1-16(8-28(24,25)23(2)15(18)20-16)12-10(17)7-11(27-12)14-22-21-13(26-14)9-3-5-19-6-4-9/h3-7H,8H2,1-2H3,(H2,18,20)/t16-/m0/s1
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332n/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....


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


(Homo sapiens (Human))
BDBM243010
PNG
(US9422277, 73)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccc2scnc2c1
Show InChI InChI=1S/C18H15ClN6O3S3/c1-18(7-31(26,27)25(2)17(20)22-18)14-10(19)6-13(30-14)16-24-23-15(28-16)9-3-4-12-11(5-9)21-8-29-12/h3-6,8H,7H2,1-2H3,(H2,20,22)/t18-/m0/s1
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336n/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....


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


(Homo sapiens (Human))
BDBM243018
PNG
(US9422277, 81)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc2c(cccc2c1F)-c1cnn(c1)-c1ccccc1
Show InChI InChI=1S/C22H20FN5O2S2/c1-22(13-32(29,30)27(2)21(24)26-22)20-18(23)17-10-6-9-16(19(17)31-20)14-11-25-28(12-14)15-7-4-3-5-8-15/h3-12H,13H2,1-2H3,(H2,24,26)/t22-/m0/s1
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337n/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))
BDBM242970
PNG
(US9422277, 33)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1cncs1
Show InChI InChI=1S/C14H13ClN6O3S3/c1-14(5-27(22,23)21(2)13(16)18-14)10-7(15)3-8(26-10)11-19-20-12(24-11)9-4-17-6-25-9/h3-4,6H,5H2,1-2H3,(H2,16,18)/t14-/m0/s1
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347n/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))
BDBM243001
PNG
(US9422277, 64)
Show SMILES CCCCCOc1ccc(cc1)-c1nnc(o1)-c1cc(Cl)c(s1)[C@]1(C)CS(=O)(=O)N(C)C(=N)N1
Show InChI InChI=1S/C22H26ClN5O4S2/c1-4-5-6-11-31-15-9-7-14(8-10-15)19-26-27-20(32-19)17-12-16(23)18(33-17)22(2)13-34(29,30)28(3)21(24)25-22/h7-10,12H,4-6,11,13H2,1-3H3,(H2,24,25)/t22-/m0/s1
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356n/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))
BDBM242993
PNG
(US9422277, 56)
Show SMILES CC(C)c1ccc(cc1)-c1nnc(o1)-c1cc(Cl)c(s1)[C@]1(C)CS(=O)(=O)N(C)C(=N)N1
Show InChI InChI=1S/C20H22ClN5O3S2/c1-11(2)12-5-7-13(8-6-12)17-24-25-18(29-17)15-9-14(21)16(30-15)20(3)10-31(27,28)26(4)19(22)23-20/h5-9,11H,10H2,1-4H3,(H2,22,23)/t20-/m0/s1
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359n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Varying concentrations of inhibitors at 3× the final desired concentration in a volume of 10 ul are preincubated with purified human BACE1 cata...


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


(Homo sapiens (Human))
BDBM242949
PNG
(US9422277, 12)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1cc(on1)-c1ccccc1
Show InChI InChI=1S/C18H17ClN4O3S2/c1-18(10-28(24,25)23(2)17(20)21-18)16-12(19)8-15(27-16)13-9-14(26-22-13)11-6-4-3-5-7-11/h3-9H,10H2,1-2H3,(H2,20,21)/t18-/m0/s1
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365n/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))
BDBM243002
PNG
(US9422277, 65)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccc(c(F)c1)C(F)(F)F
Show InChI InChI=1S/C18H14ClF4N5O3S2/c1-17(7-33(29,30)28(2)16(24)25-17)13-10(19)6-12(32-13)15-27-26-14(31-15)8-3-4-9(11(20)5-8)18(21,22)23/h3-6H,7H2,1-2H3,(H2,24,25)/t17-/m0/s1
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366n/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))
BDBM242969
PNG
(US9422277, 32)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1nccs1
Show InChI InChI=1S/C14H13ClN6O3S3/c1-14(6-27(22,23)21(2)13(16)18-14)9-7(15)5-8(26-9)10-19-20-11(24-10)12-17-3-4-25-12/h3-5H,6H2,1-2H3,(H2,16,18)/t14-/m0/s1
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402n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Varying concentrations of inhibitors at 3× the final desired concentration in a volume of 10 ul are preincubated with purified human BACE1 cata...


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


(Homo sapiens (Human))
BDBM242982
PNG
(US9422277, 45)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1cnn(C)c1
Show InChI InChI=1S/C15H16ClN7O3S2/c1-15(7-28(24,25)23(3)14(17)19-15)11-9(16)4-10(27-11)13-21-20-12(26-13)8-5-18-22(2)6-8/h4-6H,7H2,1-3H3,(H2,17,19)/t15-/m0/s1
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407n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Varying concentrations of inhibitors at 3× the final desired concentration in a volume of 10 ul are preincubated with purified human BACE1 cata...


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


(Homo sapiens (Human))
BDBM243009
PNG
(US9422277, 72)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccc2sc(C)nc2c1
Show InChI InChI=1S/C19H17ClN6O3S3/c1-9-22-12-6-10(4-5-13(12)30-9)16-24-25-17(29-16)14-7-11(20)15(31-14)19(2)8-32(27,28)26(3)18(21)23-19/h4-7H,8H2,1-3H3,(H2,21,23)/t19-/m0/s1
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422n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Varying concentrations of inhibitors at 3× the final desired concentration in a volume of 10 ul are preincubated with purified human BACE1 cata...


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


(Homo sapiens (Human))
BDBM242978
PNG
(US9422277, 41)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ncco1
Show InChI InChI=1S/C14H13ClN6O4S2/c1-14(6-27(22,23)21(2)13(16)18-14)9-7(15)5-8(26-9)10-19-20-12(25-10)11-17-3-4-24-11/h3-5H,6H2,1-2H3,(H2,16,18)/t14-/m0/s1
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441n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Varying concentrations of inhibitors at 3× the final desired concentration in a volume of 10 ul are preincubated with purified human BACE1 cata...


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


(Homo sapiens (Human))
BDBM242972
PNG
(US9422277, 35)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1cnn2ccccc12
Show InChI InChI=1S/C18H16ClN7O3S2/c1-18(9-31(27,28)25(2)17(20)22-18)14-11(19)7-13(30-14)16-24-23-15(29-16)10-8-21-26-6-4-3-5-12(10)26/h3-8H,9H2,1-2H3,(H2,20,22)/t18-/m0/s1
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450n/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))
BDBM242940
PNG
(US9422277, 3)
Show SMILES CN1\C(N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1ncc([nH]1)-c1ccccn1)=N/C(=O)OC(C)(C)C
Show InChI InChI=1S/C22H25ClN6O4S2/c1-21(2,3)33-20(30)27-19-28-22(4,12-35(31,32)29(19)5)17-13(23)10-16(34-17)18-25-11-15(26-18)14-8-6-7-9-24-14/h6-11H,12H2,1-5H3,(H,25,26)(H,27,28,30)/t22-/m0/s1
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470n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Varying concentrations of inhibitors at 3× the final desired concentration in a volume of 10 ul are preincubated with purified human BACE1 cata...


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


(Homo sapiens (Human))
BDBM242986
PNG
(US9422277, 49)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(ccc1F)-c1nnc(o1)-c1nccs1
Show InChI InChI=1S/C16H15FN6O3S2/c1-16(8-28(24,25)23(2)15(18)20-16)10-7-9(3-4-11(10)17)12-21-22-13(26-12)14-19-5-6-27-14/h3-7H,8H2,1-2H3,(H2,18,20)/t16-/m0/s1
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490n/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))
BDBM243000
PNG
(US9422277, 63)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C24H22ClN5O4S2/c1-24(14-36(31,32)30(2)23(26)27-24)20-18(25)12-19(35-20)22-29-28-21(34-22)16-8-10-17(11-9-16)33-13-15-6-4-3-5-7-15/h3-12H,13-14H2,1-2H3,(H2,26,27)/t24-/m0/s1
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527n/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))
BDBM242997
PNG
(US9422277, 60)
Show SMILES CC(C)Oc1ccc(cc1)-c1nnc(o1)-c1cc(Cl)c(s1)[C@]1(C)CS(=O)(=O)N(C)C(=N)N1
Show InChI InChI=1S/C20H22ClN5O4S2/c1-11(2)29-13-7-5-12(6-8-13)17-24-25-18(30-17)15-9-14(21)16(31-15)20(3)10-32(27,28)26(4)19(22)23-20/h5-9,11H,10H2,1-4H3,(H2,22,23)/t20-/m0/s1
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533n/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))
BDBM242958
PNG
(US9422277, 21)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccccn1
Show InChI InChI=1S/C16H15ClN6O3S2/c1-16(8-28(24,25)23(2)15(18)20-16)12-9(17)7-11(27-12)14-22-21-13(26-14)10-5-3-4-6-19-10/h3-7H,8H2,1-2H3,(H2,18,20)/t16-/m0/s1
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555n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Varying concentrations of inhibitors at 3× the final desired concentration in a volume of 10 ul are preincubated with purified human BACE1 cata...


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


(Homo sapiens (Human))
BDBM242965
PNG
(US9422277, 28)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccncc1
Show InChI InChI=1S/C16H15ClN6O3S2/c1-16(8-28(24,25)23(2)15(18)20-16)12-10(17)7-11(27-12)14-22-21-13(26-14)9-3-5-19-6-4-9/h3-7H,8H2,1-2H3,(H2,18,20)/t16-/m0/s1
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558n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Varying concentrations of inhibitors at 3× the final desired concentration in a volume of 10 ul are preincubated with purified human BACE1 cata...


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


(Homo sapiens (Human))
BDBM242971
PNG
(US9422277, 34)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1cccc2ccnn12
Show InChI InChI=1S/C18H16ClN7O3S2/c1-18(9-31(27,28)25(2)17(20)22-18)14-11(19)8-13(30-14)16-24-23-15(29-16)12-5-3-4-10-6-7-21-26(10)12/h3-8H,9H2,1-2H3,(H2,20,22)/t18-/m0/s1
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561n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Varying concentrations of inhibitors at 3× the final desired concentration in a volume of 10 ul are preincubated with purified human BACE1 cata...


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


(Homo sapiens (Human))
BDBM242962
PNG
(US9422277, 25)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(ccc1F)-c1nnc(o1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C19H17ClFN5O3S/c1-19(10-30(27,28)26(2)18(22)23-19)14-9-12(5-8-15(14)21)17-25-24-16(29-17)11-3-6-13(20)7-4-11/h3-9H,10H2,1-2H3,(H2,22,23)/t19-/m0/s1
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595n/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))
BDBM242974
PNG
(US9422277, 37)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1cscn1
Show InChI InChI=1S/C14H13ClN6O3S3/c1-14(5-27(22,23)21(2)13(16)18-14)10-7(15)3-9(26-10)12-20-19-11(24-12)8-4-25-6-17-8/h3-4,6H,5H2,1-2H3,(H2,16,18)/t14-/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Varying concentrations of inhibitors at 3× the final desired concentration in a volume of 10 ul are preincubated with purified human BACE1 cata...


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


(Homo sapiens (Human))
BDBM243017
PNG
(US9422277, 80)
Show SMILES COC(=O)Cc1ccc(cc1)-c1nnc(o1)-c1cc(Cl)c(s1)[C@]1(C)CS(=O)(=O)N(C)C(=N)N1
Show InChI InChI=1S/C20H20ClN5O5S2/c1-20(10-33(28,29)26(2)19(22)23-20)16-13(21)9-14(32-16)18-25-24-17(31-18)12-6-4-11(5-7-12)8-15(27)30-3/h4-7,9H,8,10H2,1-3H3,(H2,22,23)/t20-/m0/s1
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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....


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


(Homo sapiens (Human))
BDBM242964
PNG
(US9422277, 27)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1cnccn1
Show InChI InChI=1S/C15H14ClN7O3S2/c1-15(7-28(24,25)23(2)14(17)20-15)11-8(16)5-10(27-11)13-22-21-12(26-13)9-6-18-3-4-19-9/h3-6H,7H2,1-2H3,(H2,17,20)/t15-/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Varying concentrations of inhibitors at 3× the final desired concentration in a volume of 10 ul are preincubated with purified human BACE1 cata...


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


(Homo sapiens (Human))
BDBM242966
PNG
(US9422277, 29)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1cccnc1
Show InChI InChI=1S/C16H15ClN6O3S2/c1-16(8-28(24,25)23(2)15(18)20-16)12-10(17)6-11(27-12)14-22-21-13(26-14)9-4-3-5-19-7-9/h3-7H,8H2,1-2H3,(H2,18,20)/t16-/m0/s1
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698n/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....


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


(Homo sapiens (Human))
BDBM242984
PNG
(US9422277, 47)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccnn1C
Show InChI InChI=1S/C15H16ClN7O3S2/c1-15(7-28(24,25)23(3)14(17)19-15)11-8(16)6-10(27-11)13-21-20-12(26-13)9-4-5-18-22(9)2/h4-6H,7H2,1-3H3,(H2,17,19)/t15-/m0/s1
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712n/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....


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


(Homo sapiens (Human))
BDBM242992
PNG
(US9422277, 55)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(ccc1F)-c1nnc(o1)-c1ccon1
Show InChI InChI=1S/C16H15FN6O4S/c1-16(8-28(24,25)23(2)15(18)19-16)10-7-9(3-4-11(10)17)13-20-21-14(27-13)12-5-6-26-22-12/h3-7H,8H2,1-2H3,(H2,18,19)/t16-/m0/s1
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737n/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....


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


(Homo sapiens (Human))
BDBM242973
PNG
(US9422277, 36)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ncccn1
Show InChI InChI=1S/C15H14ClN7O3S2/c1-15(7-28(24,25)23(2)14(17)20-15)10-8(16)6-9(27-10)12-21-22-13(26-12)11-18-4-3-5-19-11/h3-6H,7H2,1-2H3,(H2,17,20)/t15-/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Varying concentrations of inhibitors at 3× the final desired concentration in a volume of 10 ul are preincubated with purified human BACE1 cata...


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


(Homo sapiens (Human))
BDBM242963
PNG
(US9422277, 26)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(ccc1F)-c1nnc(o1)-c1cnco1
Show InChI InChI=1S/C16H15FN6O4S/c1-16(7-28(24,25)23(2)15(18)20-16)10-5-9(3-4-11(10)17)13-21-22-14(27-13)12-6-19-8-26-12/h3-6,8H,7H2,1-2H3,(H2,18,20)/t16-/m0/s1
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802n/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))
BDBM242980
PNG
(US9422277, 43)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccncn1
Show InChI InChI=1S/C15H14ClN7O3S2/c1-15(6-28(24,25)23(2)14(17)20-15)11-8(16)5-10(27-11)13-22-21-12(26-13)9-3-4-18-7-19-9/h3-5,7H,6H2,1-2H3,(H2,17,20)/t15-/m0/s1
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823n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Varying concentrations of inhibitors at 3× the final desired concentration in a volume of 10 ul are preincubated with purified human BACE1 cata...


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


(Homo sapiens (Human))
BDBM242970
PNG
(US9422277, 33)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1cncs1
Show InChI InChI=1S/C14H13ClN6O3S3/c1-14(5-27(22,23)21(2)13(16)18-14)10-7(15)3-8(26-10)11-19-20-12(24-11)9-4-17-6-25-9/h3-4,6H,5H2,1-2H3,(H2,16,18)/t14-/m0/s1
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863n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Varying concentrations of inhibitors at 3× the final desired concentration in a volume of 10 ul are preincubated with purified human BACE1 cata...


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


(Homo sapiens (Human))
BDBM242985
PNG
(US9422277, 48)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)C1CC1
Show InChI InChI=1S/C14H16ClN5O3S2/c1-14(6-25(21,22)20(2)13(16)17-14)10-8(15)5-9(24-10)12-19-18-11(23-12)7-3-4-7/h5,7H,3-4,6H2,1-2H3,(H2,16,17)/t14-/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Varying concentrations of inhibitors at 3× the final desired concentration in a volume of 10 ul are preincubated with purified human BACE1 cata...


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


(Homo sapiens (Human))
BDBM243011
PNG
(US9422277, 74)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccc2CCC(=O)c2c1
Show InChI InChI=1S/C20H18ClN5O4S2/c1-20(9-32(28,29)26(2)19(22)23-20)16-13(21)8-15(31-16)18-25-24-17(30-18)11-4-3-10-5-6-14(27)12(10)7-11/h3-4,7-8H,5-6,9H2,1-2H3,(H2,22,23)/t20-/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Varying concentrations of inhibitors at 3× the final desired concentration in a volume of 10 ul are preincubated with purified human BACE1 cata...


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


(Homo sapiens (Human))
BDBM242993
PNG
(US9422277, 56)
Show SMILES CC(C)c1ccc(cc1)-c1nnc(o1)-c1cc(Cl)c(s1)[C@]1(C)CS(=O)(=O)N(C)C(=N)N1
Show InChI InChI=1S/C20H22ClN5O3S2/c1-11(2)12-5-7-13(8-6-12)17-24-25-18(29-17)15-9-14(21)16(30-15)20(3)10-31(27,28)26(4)19(22)23-20/h5-9,11H,10H2,1-4H3,(H2,22,23)/t20-/m0/s1
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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))
BDBM242950
PNG
(US9422277, 13 | US9422277, 15)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(ccc1F)-c1cc(on1)-c1ccccc1
Show InChI InChI=1S/C20H19FN4O3S/c1-20(12-29(26,27)25(2)19(22)23-20)15-10-14(8-9-16(15)21)17-11-18(28-24-17)13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H2,22,23)/t20-/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Varying concentrations of inhibitors at 3× the final desired concentration in a volume of 10 ul are preincubated with purified human BACE1 cata...


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


(Homo sapiens (Human))
BDBM242979
PNG
(US9422277, 42)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1cocn1
Show InChI InChI=1S/C14H13ClN6O4S2/c1-14(5-27(22,23)21(2)13(16)18-14)10-7(15)3-9(26-10)12-20-19-11(25-12)8-4-24-6-17-8/h3-4,6H,5H2,1-2H3,(H2,16,18)/t14-/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Varying concentrations of inhibitors at 3× the final desired concentration in a volume of 10 ul are preincubated with purified human BACE1 cata...


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


(Homo sapiens (Human))
BDBM242951
PNG
(US9422277, 14)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1cc(no1)-c1ccccc1
Show InChI InChI=1S/C18H17ClN4O3S2/c1-18(10-28(24,25)23(2)17(20)21-18)16-12(19)8-15(27-16)14-9-13(22-26-14)11-6-4-3-5-7-11/h3-9H,10H2,1-2H3,(H2,20,21)/t18-/m0/s1
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943n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Varying concentrations of inhibitors at 3× the final desired concentration in a volume of 10 ul are preincubated with purified human BACE1 cata...


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


(Homo sapiens (Human))
BDBM242995
PNG
(US9422277, 58)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccc2[nH]cnc2c1
Show InChI InChI=1S/C18H16ClN7O3S2/c1-18(7-31(27,28)26(2)17(20)23-18)14-10(19)6-13(30-14)16-25-24-15(29-16)9-3-4-11-12(5-9)22-8-21-11/h3-6,8H,7H2,1-2H3,(H2,20,23)(H,21,22)/t18-/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Varying concentrations of inhibitors at 3× the final desired concentration in a volume of 10 ul are preincubated with purified human BACE1 cata...


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


(Homo sapiens (Human))
BDBM243006
PNG
(US9422277, 69)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccc(cc1)N1CCCC1=O
Show InChI InChI=1S/C21H21ClN6O4S2/c1-21(11-34(30,31)27(2)20(23)24-21)17-14(22)10-15(33-17)19-26-25-18(32-19)12-5-7-13(8-6-12)28-9-3-4-16(28)29/h5-8,10H,3-4,9,11H2,1-2H3,(H2,23,24)/t21-/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Varying concentrations of inhibitors at 3× the final desired concentration in a volume of 10 ul are preincubated with purified human BACE1 cata...


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


(Homo sapiens (Human))
BDBM242966
PNG
(US9422277, 29)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1cccnc1
Show InChI InChI=1S/C16H15ClN6O3S2/c1-16(8-28(24,25)23(2)15(18)20-16)12-10(17)6-11(27-12)14-22-21-13(26-14)9-4-3-5-19-7-9/h3-7H,8H2,1-2H3,(H2,18,20)/t16-/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Varying concentrations of inhibitors at 3× the final desired concentration in a volume of 10 ul are preincubated with purified human BACE1 cata...


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


(Homo sapiens (Human))
BDBM243003
PNG
(US9422277, 66)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccc(cc1)C1(COC1)C#N
Show InChI InChI=1S/C21H19ClN6O4S2/c1-20(11-34(29,30)28(2)19(24)25-20)16-14(22)7-15(33-16)18-27-26-17(32-18)12-3-5-13(6-4-12)21(8-23)9-31-10-21/h3-7H,9-11H2,1-2H3,(H2,24,25)/t20-/m0/s1
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1.07E+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))
BDBM243006
PNG
(US9422277, 69)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccc(cc1)N1CCCC1=O
Show InChI InChI=1S/C21H21ClN6O4S2/c1-21(11-34(30,31)27(2)20(23)24-21)17-14(22)10-15(33-17)19-26-25-18(32-19)12-5-7-13(8-6-12)28-9-3-4-16(28)29/h5-8,10H,3-4,9,11H2,1-2H3,(H2,23,24)/t21-/m0/s1
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1.07E+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 1


(Homo sapiens (Human))
BDBM243004
PNG
(US9422277, 67)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccc(cc1)C1CCC(F)(F)C1
Show InChI InChI=1S/C22H22ClF2N5O3S2/c1-21(11-35(31,32)30(2)20(26)27-21)17-15(23)9-16(34-17)19-29-28-18(33-19)13-5-3-12(4-6-13)14-7-8-22(24,25)10-14/h3-6,9,14H,7-8,10-11H2,1-2H3,(H2,26,27)/t14?,21-/m0/s1
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1.11E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Varying concentrations of inhibitors at 3× the final desired concentration in a volume of 10 ul are preincubated with purified human BACE1 cata...


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


(Homo sapiens (Human))
BDBM242983
PNG
(US9422277, 46)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccn(C)n1
Show InChI InChI=1S/C15H16ClN7O3S2/c1-15(7-28(24,25)23(3)14(17)18-15)11-8(16)6-10(27-11)13-20-19-12(26-13)9-4-5-22(2)21-9/h4-6H,7H2,1-3H3,(H2,17,18)/t15-/m0/s1
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1.14E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Varying concentrations of inhibitors at 3× the final desired concentration in a volume of 10 ul are preincubated with purified human BACE1 cata...


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


(Homo sapiens (Human))
BDBM243009
PNG
(US9422277, 72)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccc2sc(C)nc2c1
Show InChI InChI=1S/C19H17ClN6O3S3/c1-9-22-12-6-10(4-5-13(12)30-9)16-24-25-17(29-16)14-7-11(20)15(31-14)19(2)8-32(27,28)26(3)18(21)23-19/h4-7H,8H2,1-3H3,(H2,21,23)/t19-/m0/s1
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1.15E+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....


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


(Homo sapiens (Human))
BDBM242949
PNG
(US9422277, 12)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1cc(on1)-c1ccccc1
Show InChI InChI=1S/C18H17ClN4O3S2/c1-18(10-28(24,25)23(2)17(20)21-18)16-12(19)8-15(27-16)13-9-14(26-22-13)11-6-4-3-5-7-11/h3-9H,10H2,1-2H3,(H2,20,21)/t18-/m0/s1
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1.17E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Varying concentrations of inhibitors at 3× the final desired concentration in a volume of 10 ul are preincubated with purified human BACE1 cata...


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


(Homo sapiens (Human))
BDBM242968
PNG
(US9422277, 31)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1cccc(c1)C#N
Show InChI InChI=1S/C18H15ClN6O3S2/c1-18(9-30(26,27)25(2)17(21)22-18)14-12(19)7-13(29-14)16-24-23-15(28-16)11-5-3-4-10(6-11)8-20/h3-7H,9H2,1-2H3,(H2,21,22)/t18-/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
Varying concentrations of inhibitors at 3× the final desired concentration in a volume of 10 ul are preincubated with purified human BACE1 cata...


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


(Homo sapiens (Human))
BDBM242968
PNG
(US9422277, 31)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1cccc(c1)C#N
Show InChI InChI=1S/C18H15ClN6O3S2/c1-18(9-30(26,27)25(2)17(21)22-18)14-12(19)7-13(29-14)16-24-23-15(28-16)11-5-3-4-10(6-11)8-20/h3-7H,9H2,1-2H3,(H2,21,22)/t18-/m0/s1
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1.24E+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 1


(Homo sapiens (Human))
BDBM242963
PNG
(US9422277, 26)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(ccc1F)-c1nnc(o1)-c1cnco1
Show InChI InChI=1S/C16H15FN6O4S/c1-16(7-28(24,25)23(2)15(18)20-16)10-5-9(3-4-11(10)17)13-21-22-14(27-13)12-6-19-8-26-12/h3-6,8H,7H2,1-2H3,(H2,18,20)/t16-/m0/s1
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1.25E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Varying concentrations of inhibitors at 3× the final desired concentration in a volume of 10 ul are preincubated with purified human BACE1 cata...


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


(Homo sapiens (Human))
BDBM243014
PNG
(US9422277, 77)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccc(cc1)-c1noc(n1)C(F)(F)F
Show InChI InChI=1S/C20H15ClF3N7O4S2/c1-19(8-37(32,33)31(2)18(25)27-19)13-11(21)7-12(36-13)16-29-28-15(34-16)10-5-3-9(4-6-10)14-26-17(35-30-14)20(22,23)24/h3-7H,8H2,1-2H3,(H2,25,27)/t19-/m0/s1
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1.28E+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))
BDBM242995
PNG
(US9422277, 58)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccc2[nH]cnc2c1
Show InChI InChI=1S/C18H16ClN7O3S2/c1-18(7-31(27,28)26(2)17(20)23-18)14-10(19)6-13(30-14)16-25-24-15(29-16)9-3-4-11-12(5-9)22-8-21-11/h3-6,8H,7H2,1-2H3,(H2,20,23)(H,21,22)/t18-/m0/s1
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1.30E+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 1


(Homo sapiens (Human))
BDBM242981
PNG
(US9422277, 44)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccon1
Show InChI InChI=1S/C14H13ClN6O4S2/c1-14(6-27(22,23)21(2)13(16)17-14)10-7(15)5-9(26-10)12-19-18-11(25-12)8-3-4-24-20-8/h3-5H,6H2,1-2H3,(H2,16,17)/t14-/m0/s1
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1.34E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Varying concentrations of inhibitors at 3× the final desired concentration in a volume of 10 ul are preincubated with purified human BACE1 cata...


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


(Homo sapiens (Human))
BDBM243007
PNG
(US9422277, 70)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccc(cc1)-n1cnnn1
Show InChI InChI=1S/C18H16ClN9O3S2/c1-18(8-33(29,30)27(2)17(20)22-18)14-12(19)7-13(32-14)16-24-23-15(31-16)10-3-5-11(6-4-10)28-9-21-25-26-28/h3-7,9H,8H2,1-2H3,(H2,20,22)/t18-/m0/s1
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1.35E+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 1


(Homo sapiens (Human))
BDBM243003
PNG
(US9422277, 66)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccc(cc1)C1(COC1)C#N
Show InChI InChI=1S/C21H19ClN6O4S2/c1-20(11-34(29,30)28(2)19(24)25-20)16-14(22)7-15(33-16)18-27-26-17(32-18)12-3-5-13(6-4-12)21(8-23)9-31-10-21/h3-7H,9-11H2,1-2H3,(H2,24,25)/t20-/m0/s1
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1.36E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Varying concentrations of inhibitors at 3× the final desired concentration in a volume of 10 ul are preincubated with purified human BACE1 cata...


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


(Homo sapiens (Human))
BDBM243018
PNG
(US9422277, 81)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc2c(cccc2c1F)-c1cnn(c1)-c1ccccc1
Show InChI InChI=1S/C22H20FN5O2S2/c1-22(13-32(29,30)27(2)21(24)26-22)20-18(23)17-10-6-9-16(19(17)31-20)14-11-25-28(12-14)15-7-4-3-5-8-15/h3-12H,13H2,1-2H3,(H2,24,26)/t22-/m0/s1
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1.46E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Varying concentrations of inhibitors at 3× the final desired concentration in a volume of 10 ul are preincubated with purified human BACE1 cata...


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


(Homo sapiens (Human))
BDBM242961
PNG
(US9422277, 24)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(ccc1F)-c1nnc(o1)-c1ccccc1
Show InChI InChI=1S/C19H18FN5O3S/c1-19(11-29(26,27)25(2)18(21)22-19)14-10-13(8-9-15(14)20)17-24-23-16(28-17)12-6-4-3-5-7-12/h3-10H,11H2,1-2H3,(H2,21,22)/t19-/m0/s1
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US Patent
1.49E+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 1


(Homo sapiens (Human))
BDBM242984
PNG
(US9422277, 47)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccnn1C
Show InChI InChI=1S/C15H16ClN7O3S2/c1-15(7-28(24,25)23(3)14(17)19-15)11-8(16)6-10(27-11)13-21-20-12(26-13)9-4-5-18-22(9)2/h4-6H,7H2,1-3H3,(H2,17,19)/t15-/m0/s1
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1.53E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Varying concentrations of inhibitors at 3× the final desired concentration in a volume of 10 ul are preincubated with purified human BACE1 cata...


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


(Homo sapiens (Human))
BDBM242988
PNG
(US9422277, 51)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(ccc1F)-c1nnc(o1)-c1cscn1
Show InChI InChI=1S/C16H15FN6O3S2/c1-16(7-28(24,25)23(2)15(18)20-16)10-5-9(3-4-11(10)17)13-21-22-14(26-13)12-6-27-8-19-12/h3-6,8H,7H2,1-2H3,(H2,18,20)/t16-/m0/s1
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1.54E+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))
BDBM242976
PNG
(US9422277, 39)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1cncnc1
Show InChI InChI=1S/C15H14ClN7O3S2/c1-15(6-28(24,25)23(2)14(17)20-15)11-9(16)3-10(27-11)13-22-21-12(26-13)8-4-18-7-19-5-8/h3-5,7H,6H2,1-2H3,(H2,17,20)/t15-/m0/s1
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1.66E+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))
BDBM242991
PNG
(US9422277, 54)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(ccc1F)-c1nnc(o1)-c1cocn1
Show InChI InChI=1S/C16H15FN6O4S/c1-16(7-28(24,25)23(2)15(18)20-16)10-5-9(3-4-11(10)17)13-21-22-14(27-13)12-6-26-8-19-12/h3-6,8H,7H2,1-2H3,(H2,18,20)/t16-/m0/s1
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US Patent
1.69E+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))
BDBM243004
PNG
(US9422277, 67)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccc(cc1)C1CCC(F)(F)C1
Show InChI InChI=1S/C22H22ClF2N5O3S2/c1-21(11-35(31,32)30(2)20(26)27-21)17-15(23)9-16(34-17)19-29-28-18(33-19)13-5-3-12(4-6-13)14-7-8-22(24,25)10-14/h3-6,9,14H,7-8,10-11H2,1-2H3,(H2,26,27)/t14?,21-/m0/s1
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1.87E+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 1


(Homo sapiens (Human))
BDBM242942
PNG
(US9422277, 5)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1cn(nn1)-c1ccccc1
Show InChI InChI=1S/C17H17ClN6O2S2/c1-17(10-28(25,26)23(2)16(19)20-17)15-12(18)8-14(27-15)13-9-24(22-21-13)11-6-4-3-5-7-11/h3-9H,10H2,1-2H3,(H2,19,20)/t17-/m0/s1
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1.99E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Varying concentrations of inhibitors at 3× the final desired concentration in a volume of 10 ul are preincubated with purified human BACE1 cata...


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


(Homo sapiens (Human))
BDBM243011
PNG
(US9422277, 74)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccc2CCC(=O)c2c1
Show InChI InChI=1S/C20H18ClN5O4S2/c1-20(9-32(28,29)26(2)19(22)23-20)16-13(21)8-15(31-16)18-25-24-17(30-18)11-4-3-10-5-6-14(27)12(10)7-11/h3-4,7-8H,5-6,9H2,1-2H3,(H2,22,23)/t20-/m0/s1
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1.99E+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 1


(Homo sapiens (Human))
BDBM242972
PNG
(US9422277, 35)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1cnn2ccccc12
Show InChI InChI=1S/C18H16ClN7O3S2/c1-18(9-31(27,28)25(2)17(20)22-18)14-11(19)7-13(30-14)16-24-23-15(29-16)10-8-21-26-6-4-3-5-12(10)26/h3-8H,9H2,1-2H3,(H2,20,22)/t18-/m0/s1
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2.37E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Varying concentrations of inhibitors at 3× the final desired concentration in a volume of 10 ul are preincubated with purified human BACE1 cata...


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


(Homo sapiens (Human))
BDBM242962
PNG
(US9422277, 25)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(ccc1F)-c1nnc(o1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C19H17ClFN5O3S/c1-19(10-30(27,28)26(2)18(22)23-19)14-9-12(5-8-15(14)21)17-25-24-16(29-17)11-3-6-13(20)7-4-11/h3-9H,10H2,1-2H3,(H2,22,23)/t19-/m0/s1
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2.59E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Varying concentrations of inhibitors at 3× the final desired concentration in a volume of 10 ul are preincubated with purified human BACE1 cata...


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


(Homo sapiens (Human))
BDBM242989
PNG
(US9422277, 52)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(ccc1F)-c1nnc(o1)C1Cc2ccccc2C1
Show InChI InChI=1S/C22H22FN5O3S/c1-22(12-32(29,30)28(2)21(24)25-22)17-11-15(7-8-18(17)23)19-26-27-20(31-19)16-9-13-5-3-4-6-14(13)10-16/h3-8,11,16H,9-10,12H2,1-2H3,(H2,24,25)/t22-/m0/s1
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2.68E+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....


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


(Homo sapiens (Human))
BDBM243019
PNG
(US9422277, 82)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc2c(cccc2c1F)-c1coc(n1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H18F2N4O3S2/c1-22(11-33(29,30)28(2)21(25)27-22)19-17(24)15-5-3-4-14(18(15)32-19)16-10-31-20(26-16)12-6-8-13(23)9-7-12/h3-10H,11H2,1-2H3,(H2,25,27)/t22-/m0/s1
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2.94E+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....


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


(Homo sapiens (Human))
BDBM243005
PNG
(US9422277, 68)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccc(cc1)N1CCCCC1
Show InChI InChI=1S/C22H25ClN6O3S2/c1-22(13-34(30,31)28(2)21(24)25-22)18-16(23)12-17(33-18)20-27-26-19(32-20)14-6-8-15(9-7-14)29-10-4-3-5-11-29/h6-9,12H,3-5,10-11,13H2,1-2H3,(H2,24,25)/t22-/m0/s1
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2.99E+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....


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


(Homo sapiens (Human))
BDBM242941
PNG
(US9422277, 4)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1[nH]cnc1-c1ccccc1
Show InChI InChI=1S/C18H18ClN5O2S2/c1-18(9-28(25,26)24(2)17(20)23-18)16-12(19)8-13(27-16)15-14(21-10-22-15)11-6-4-3-5-7-11/h3-8,10H,9H2,1-2H3,(H2,20,23)(H,21,22)/t18-/m0/s1
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3.12E+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 1


(Homo sapiens (Human))
BDBM243020
PNG
(US9422277, 83)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc2c(cccc2c1F)-c1cnc(o1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H18F2N4O3S2/c1-22(11-33(29,30)28(2)21(25)27-22)19-17(24)15-5-3-4-14(18(15)32-19)16-10-26-20(31-16)12-6-8-13(23)9-7-12/h3-10H,11H2,1-2H3,(H2,25,27)/t22-/m0/s1
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3.18E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Varying concentrations of inhibitors at 3× the final desired concentration in a volume of 10 ul are preincubated with purified human BACE1 cata...


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


(Homo sapiens (Human))
BDBM243020
PNG
(US9422277, 83)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc2c(cccc2c1F)-c1cnc(o1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H18F2N4O3S2/c1-22(11-33(29,30)28(2)21(25)27-22)19-17(24)15-5-3-4-14(18(15)32-19)16-10-26-20(31-16)12-6-8-13(23)9-7-12/h3-10H,11H2,1-2H3,(H2,25,27)/t22-/m0/s1
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3.32E+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 1


(Homo sapiens (Human))
BDBM242990
PNG
(US9422277, 53)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(ccc1F)-c1nnc(o1)-c1ncco1
Show InChI InChI=1S/C16H15FN6O4S/c1-16(8-28(24,25)23(2)15(18)20-16)10-7-9(3-4-11(10)17)12-21-22-14(27-12)13-19-5-6-26-13/h3-7H,8H2,1-2H3,(H2,18,20)/t16-/m0/s1
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3.42E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Varying concentrations of inhibitors at 3× the final desired concentration in a volume of 10 ul are preincubated with purified human BACE1 cata...


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


(Homo sapiens (Human))
BDBM242986
PNG
(US9422277, 49)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(ccc1F)-c1nnc(o1)-c1nccs1
Show InChI InChI=1S/C16H15FN6O3S2/c1-16(8-28(24,25)23(2)15(18)20-16)10-7-9(3-4-11(10)17)12-21-22-13(26-12)14-19-5-6-27-14/h3-7H,8H2,1-2H3,(H2,18,20)/t16-/m0/s1
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4.00E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Varying concentrations of inhibitors at 3× the final desired concentration in a volume of 10 ul are preincubated with purified human BACE1 cata...


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


(Homo sapiens (Human))
BDBM242987
PNG
(US9422277, 50)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(ccc1F)-c1nnc(o1)-c1cncs1
Show InChI InChI=1S/C16H15FN6O3S2/c1-16(7-28(24,25)23(2)15(18)20-16)10-5-9(3-4-11(10)17)13-21-22-14(26-13)12-6-19-8-27-12/h3-6,8H,7H2,1-2H3,(H2,18,20)/t16-/m0/s1
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4.22E+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 1


(Homo sapiens (Human))
BDBM243019
PNG
(US9422277, 82)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc2c(cccc2c1F)-c1coc(n1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H18F2N4O3S2/c1-22(11-33(29,30)28(2)21(25)27-22)19-17(24)15-5-3-4-14(18(15)32-19)16-10-31-20(26-16)12-6-8-13(23)9-7-12/h3-10H,11H2,1-2H3,(H2,25,27)/t22-/m0/s1
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4.89E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Varying concentrations of inhibitors at 3× the final desired concentration in a volume of 10 ul are preincubated with purified human BACE1 cata...


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


(Homo sapiens (Human))
BDBM242992
PNG
(US9422277, 55)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(ccc1F)-c1nnc(o1)-c1ccon1
Show InChI InChI=1S/C16H15FN6O4S/c1-16(8-28(24,25)23(2)15(18)19-16)10-7-9(3-4-11(10)17)13-20-21-14(27-13)12-5-6-26-22-12/h3-7H,8H2,1-2H3,(H2,18,19)/t16-/m0/s1
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4.94E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Varying concentrations of inhibitors at 3× the final desired concentration in a volume of 10 ul are preincubated with purified human BACE1 cata...


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


(Homo sapiens (Human))
BDBM243005
PNG
(US9422277, 68)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccc(cc1)N1CCCCC1
Show InChI InChI=1S/C22H25ClN6O3S2/c1-22(13-34(30,31)28(2)21(24)25-22)18-16(23)12-17(33-18)20-27-26-19(32-20)14-6-8-15(9-7-14)29-10-4-3-5-11-29/h6-9,12H,3-5,10-11,13H2,1-2H3,(H2,24,25)/t22-/m0/s1
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5.36E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Varying concentrations of inhibitors at 3× the final desired concentration in a volume of 10 ul are preincubated with purified human BACE1 cata...


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


(Homo sapiens (Human))
BDBM242976
PNG
(US9422277, 39)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1cncnc1
Show InChI InChI=1S/C15H14ClN7O3S2/c1-15(6-28(24,25)23(2)14(17)20-15)11-9(16)3-10(27-11)13-22-21-12(26-13)8-4-18-7-19-5-8/h3-5,7H,6H2,1-2H3,(H2,17,20)/t15-/m0/s1
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5.40E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Varying concentrations of inhibitors at 3× the final desired concentration in a volume of 10 ul are preincubated with purified human BACE1 cata...


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


(Homo sapiens (Human))
BDBM242991
PNG
(US9422277, 54)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(ccc1F)-c1nnc(o1)-c1cocn1
Show InChI InChI=1S/C16H15FN6O4S/c1-16(7-28(24,25)23(2)15(18)20-16)10-5-9(3-4-11(10)17)13-21-22-14(27-13)12-6-26-8-19-12/h3-6,8H,7H2,1-2H3,(H2,18,20)/t16-/m0/s1
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7.55E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Varying concentrations of inhibitors at 3× the final desired concentration in a volume of 10 ul are preincubated with purified human BACE1 cata...


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


(Homo sapiens (Human))
BDBM242989
PNG
(US9422277, 52)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(ccc1F)-c1nnc(o1)C1Cc2ccccc2C1
Show InChI InChI=1S/C22H22FN5O3S/c1-22(12-32(29,30)28(2)21(24)25-22)17-11-15(7-8-18(17)23)19-26-27-20(31-19)16-9-13-5-3-4-6-14(13)10-16/h3-8,11,16H,9-10,12H2,1-2H3,(H2,24,25)/t22-/m0/s1
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7.69E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Varying concentrations of inhibitors at 3× the final desired concentration in a volume of 10 ul are preincubated with purified human BACE1 cata...


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


(Homo sapiens (Human))
BDBM242988
PNG
(US9422277, 51)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(ccc1F)-c1nnc(o1)-c1cscn1
Show InChI InChI=1S/C16H15FN6O3S2/c1-16(7-28(24,25)23(2)15(18)20-16)10-5-9(3-4-11(10)17)13-21-22-14(26-13)12-6-27-8-19-12/h3-6,8H,7H2,1-2H3,(H2,18,20)/t16-/m0/s1
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8.60E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Varying concentrations of inhibitors at 3× the final desired concentration in a volume of 10 ul are preincubated with purified human BACE1 cata...


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


(Homo sapiens (Human))
BDBM242941
PNG
(US9422277, 4)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1[nH]cnc1-c1ccccc1
Show InChI InChI=1S/C18H18ClN5O2S2/c1-18(9-28(25,26)24(2)17(20)23-18)16-12(19)8-13(27-16)15-14(21-10-22-15)11-6-4-3-5-7-11/h3-8,10H,9H2,1-2H3,(H2,20,23)(H,21,22)/t18-/m0/s1
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9.03E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Varying concentrations of inhibitors at 3× the final desired concentration in a volume of 10 ul are preincubated with purified human BACE1 cata...


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


(Homo sapiens (Human))
BDBM242961
PNG
(US9422277, 24)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(ccc1F)-c1nnc(o1)-c1ccccc1
Show InChI InChI=1S/C19H18FN5O3S/c1-19(11-29(26,27)25(2)18(21)22-19)14-10-13(8-9-15(14)20)17-24-23-16(28-17)12-6-4-3-5-7-12/h3-10H,11H2,1-2H3,(H2,21,22)/t19-/m0/s1
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9.87E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Varying concentrations of inhibitors at 3× the final desired concentration in a volume of 10 ul are preincubated with purified human BACE1 cata...


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


(Homo sapiens (Human))
BDBM242987
PNG
(US9422277, 50)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(ccc1F)-c1nnc(o1)-c1cncs1
Show InChI InChI=1S/C16H15FN6O3S2/c1-16(7-28(24,25)23(2)15(18)20-16)10-5-9(3-4-11(10)17)13-21-22-14(26-13)12-6-19-8-27-12/h3-6,8H,7H2,1-2H3,(H2,18,20)/t16-/m0/s1
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9.92E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Varying concentrations of inhibitors at 3× the final desired concentration in a volume of 10 ul are preincubated with purified human BACE1 cata...


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