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Patent code US10604534

Compile Data Set for Download or QSAR
Found 38 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 (BACE)


(Homo sapiens (Human))
BDBM439198
PNG
(US10604534, Example 1)
Show SMILES C[C@H]1C[C@@H]2[C@](CO1)(NC(=N)N(C)S2(=O)=O)c1cc(Oc2ncccc2F)ccc1F
Show InChI InChI=1S/C19H20F2N4O4S/c1-11-8-16-19(10-28-11,24-18(22)25(2)30(16,26)27)13-9-12(5-6-14(13)20)29-17-15(21)4-3-7-23-17/h3-7,9,11,16H,8,10H2,1-2H3,(H2,22,24)/t11-,16+,19+/m0/s1
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1.60n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10604534 (2020)

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


(Homo sapiens (Human))
BDBM439250
PNG
(US10604534, Example 10)
Show SMILES COC[C@H]1C[C@@H]2[C@](CO1)(NC(=N)N(C)S2(=O)=O)c1cc(Oc2cc(ccn2)C#N)ccc1F
Show InChI InChI=1S/C21H22FN5O5S/c1-27-20(24)26-21(12-31-15(11-30-2)9-18(21)33(27,28)29)16-8-14(3-4-17(16)22)32-19-7-13(10-23)5-6-25-19/h3-8,15,18H,9,11-12H2,1-2H3,(H2,24,26)/t15-,18-,21-/m1/s1
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1.90n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
BACE1: Reagents: Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE1 catalytic domain (>95% pure); A...


US Patent US10604534 (2020)

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


(Homo sapiens (Human))
BDBM439297
PNG
(US10604534, Example 14)
Show SMILES COC[C@H]1C[C@@H]2[C@](CO1)(NC(=N)N(C)S2(=O)=O)c1cc(OCC2CC2)ccc1F
Show InChI InChI=1S/C19H26FN3O5S/c1-23-18(21)22-19(11-28-14(10-26-2)8-17(19)29(23,24)25)15-7-13(5-6-16(15)20)27-9-12-3-4-12/h5-7,12,14,17H,3-4,8-11H2,1-2H3,(H2,21,22)/t14-,17-,19-/m1/s1
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2n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10604534 (2020)

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


(Homo sapiens (Human))
BDBM439296
PNG
(US10604534, Example 13)
Show SMILES COC[C@H]1C[C@@H]2[C@](CO1)(NC(=N)N(C)S2(=O)=O)c1cc(Oc2cc(F)cnc2F)ccc1F
Show InChI InChI=1S/C20H21F3N4O5S/c1-27-19(24)26-20(10-31-13(9-30-2)7-17(20)33(27,28)29)14-6-12(3-4-15(14)22)32-16-5-11(21)8-25-18(16)23/h3-6,8,13,17H,7,9-10H2,1-2H3,(H2,24,26)/t13-,17-,20-/m1/s1
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2.10n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
BACE1: Reagents: Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE1 catalytic domain (>95% pure); A...


US Patent US10604534 (2020)

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


(Homo sapiens (Human))
BDBM439200
PNG
(US10604534, Example 3)
Show SMILES C[C@H]1C[C@@H]2[C@](CO1)(NC(=N)N(C)S2(=O)=O)c1cc(Oc2cc(ccn2)C#N)ccc1F
Show InChI InChI=1S/C20H20FN5O4S/c1-12-7-17-20(11-29-12,25-19(23)26(2)31(17,27)28)15-9-14(3-4-16(15)21)30-18-8-13(10-22)5-6-24-18/h3-6,8-9,12,17H,7,11H2,1-2H3,(H2,23,25)/t12-,17+,20+/m0/s1
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2.30n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10604534 (2020)

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


(Homo sapiens (Human))
BDBM439200
PNG
(US10604534, Example 3)
Show SMILES C[C@H]1C[C@@H]2[C@](CO1)(NC(=N)N(C)S2(=O)=O)c1cc(Oc2cc(ccn2)C#N)ccc1F
Show InChI InChI=1S/C20H20FN5O4S/c1-12-7-17-20(11-29-12,25-19(23)26(2)31(17,27)28)15-9-14(3-4-16(15)21)30-18-8-13(10-22)5-6-24-18/h3-6,8-9,12,17H,7,11H2,1-2H3,(H2,23,25)/t12-,17+,20+/m0/s1
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2.70n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
BACE1: Reagents: Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE1 catalytic domain (>95% pure); A...


US Patent US10604534 (2020)

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


(Homo sapiens (Human))
BDBM439250
PNG
(US10604534, Example 10)
Show SMILES COC[C@H]1C[C@@H]2[C@](CO1)(NC(=N)N(C)S2(=O)=O)c1cc(Oc2cc(ccn2)C#N)ccc1F
Show InChI InChI=1S/C21H22FN5O5S/c1-27-20(24)26-21(12-31-15(11-30-2)9-18(21)33(27,28)29)16-8-14(3-4-17(16)22)32-19-7-13(10-23)5-6-25-19/h3-8,15,18H,9,11-12H2,1-2H3,(H2,24,26)/t15-,18-,21-/m1/s1
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3.40n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10604534 (2020)

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


(Homo sapiens (Human))
BDBM439198
PNG
(US10604534, Example 1)
Show SMILES C[C@H]1C[C@@H]2[C@](CO1)(NC(=N)N(C)S2(=O)=O)c1cc(Oc2ncccc2F)ccc1F
Show InChI InChI=1S/C19H20F2N4O4S/c1-11-8-16-19(10-28-11,24-18(22)25(2)30(16,26)27)13-9-12(5-6-14(13)20)29-17-15(21)4-3-7-23-17/h3-7,9,11,16H,8,10H2,1-2H3,(H2,22,24)/t11-,16+,19+/m0/s1
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3.40n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
BACE1: Reagents: Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE1 catalytic domain (>95% pure); A...


US Patent US10604534 (2020)

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


(Homo sapiens (Human))
BDBM439300
PNG
(US10604534, Example 17)
Show SMILES COC[C@H]1C[C@@H]2[C@](CO1)(NC(=N)N(C)S2(=O)=O)c1cc(Oc2cccc(c2)C#N)ccc1F
Show InChI InChI=1S/C22H23FN4O5S/c1-27-21(25)26-22(13-31-17(12-30-2)10-20(22)33(27,28)29)18-9-16(6-7-19(18)23)32-15-5-3-4-14(8-15)11-24/h3-9,17,20H,10,12-13H2,1-2H3,(H2,25,26)/t17-,20-,22-/m1/s1
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4.30n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
BACE1: Reagents: Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE1 catalytic domain (>95% pure); A...


US Patent US10604534 (2020)

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


(Homo sapiens (Human))
BDBM439205
PNG
(US10604534, Example 7)
Show SMILES C[C@H]1C[C@@H]2[C@](CO1)(NC(=N)N(C)S2(=O)=O)c1cc(OCC2CC2)ccc1F
Show InChI InChI=1S/C18H24FN3O4S/c1-11-7-16-18(10-26-11,21-17(20)22(2)27(16,23)24)14-8-13(5-6-15(14)19)25-9-12-3-4-12/h5-6,8,11-12,16H,3-4,7,9-10H2,1-2H3,(H2,20,21)/t11-,16+,18+/m0/s1
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4.30n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10604534 (2020)

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


(Homo sapiens (Human))
BDBM439294
PNG
(US10604534, Example 11)
Show SMILES COC[C@H]1C[C@@H]2[C@](CO1)(NC(=N)N(C)S2(=O)=O)c1cc(Oc2ncncc2F)ccc1F
Show InChI InChI=1S/C19H21F2N5O5S/c1-26-18(22)25-19(9-30-12(8-29-2)6-16(19)32(26,27)28)13-5-11(3-4-14(13)20)31-17-15(21)7-23-10-24-17/h3-5,7,10,12,16H,6,8-9H2,1-2H3,(H2,22,25)/t12-,16-,19-/m1/s1
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4.5n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10604534 (2020)

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


(Homo sapiens (Human))
BDBM439249
PNG
(US10604534, Example 9)
Show SMILES COC[C@H]1C[C@@H]2[C@](CO1)(NC(=N)N(C)S2(=O)=O)c1cc(Oc2cncc(OC)n2)ccc1F
Show InChI InChI=1S/C20H24FN5O6S/c1-26-19(22)25-20(11-31-13(10-29-2)7-16(20)33(26,27)28)14-6-12(4-5-15(14)21)32-18-9-23-8-17(24-18)30-3/h4-6,8-9,13,16H,7,10-11H2,1-3H3,(H2,22,25)/t13-,16-,20-/m1/s1
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4.60n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
BACE1: Reagents: Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE1 catalytic domain (>95% pure); A...


US Patent US10604534 (2020)

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


(Homo sapiens (Human))
BDBM439201
PNG
(US10604534, Example 4)
Show SMILES C[C@H]1C[C@@H]2[C@](CO1)(NC(=N)N(C)S2(=O)=O)c1cc(Oc2ncncc2F)ccc1F
Show InChI InChI=1S/C18H19F2N5O4S/c1-10-5-15-18(8-28-10,24-17(21)25(2)30(15,26)27)12-6-11(3-4-13(12)19)29-16-14(20)7-22-9-23-16/h3-4,6-7,9-10,15H,5,8H2,1-2H3,(H2,21,24)/t10-,15+,18+/m0/s1
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5.90n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10604534 (2020)

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


(Homo sapiens (Human))
BDBM439294
PNG
(US10604534, Example 11)
Show SMILES COC[C@H]1C[C@@H]2[C@](CO1)(NC(=N)N(C)S2(=O)=O)c1cc(Oc2ncncc2F)ccc1F
Show InChI InChI=1S/C19H21F2N5O5S/c1-26-18(22)25-19(9-30-12(8-29-2)6-16(19)32(26,27)28)13-5-11(3-4-14(13)20)31-17-15(21)7-23-10-24-17/h3-5,7,10,12,16H,6,8-9H2,1-2H3,(H2,22,25)/t12-,16-,19-/m1/s1
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5.90n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
BACE1: Reagents: Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE1 catalytic domain (>95% pure); A...


US Patent US10604534 (2020)

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


(Homo sapiens (Human))
BDBM439300
PNG
(US10604534, Example 17)
Show SMILES COC[C@H]1C[C@@H]2[C@](CO1)(NC(=N)N(C)S2(=O)=O)c1cc(Oc2cccc(c2)C#N)ccc1F
Show InChI InChI=1S/C22H23FN4O5S/c1-27-21(25)26-22(13-31-17(12-30-2)10-20(22)33(27,28)29)18-9-16(6-7-19(18)23)32-15-5-3-4-14(8-15)11-24/h3-9,17,20H,10,12-13H2,1-2H3,(H2,25,26)/t17-,20-,22-/m1/s1
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6.90n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10604534 (2020)

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


(Homo sapiens (Human))
BDBM439203
PNG
(US10604534, Example 6)
Show SMILES C[C@H]1C[C@@H]2[C@](CO1)(NC(=N)N(C)S2(=O)=O)c1cc(Oc2cc(F)cnc2F)ccc1F
Show InChI InChI=1S/C19H19F3N4O4S/c1-10-5-16-19(9-29-10,25-18(23)26(2)31(16,27)28)13-7-12(3-4-14(13)21)30-15-6-11(20)8-24-17(15)22/h3-4,6-8,10,16H,5,9H2,1-2H3,(H2,23,25)/t10-,16+,19+/m0/s1
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7.10n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
BACE1: Reagents: Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE1 catalytic domain (>95% pure); A...


US Patent US10604534 (2020)

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


(Homo sapiens (Human))
BDBM439199
PNG
(US10604534, Example 2)
Show SMILES COc1ccnc(Oc2ccc(F)c(c2)[C@]23CO[C@@H](C)C[C@H]2S(=O)(=O)N(C)C(=N)N3)n1
Show InChI InChI=1S/C19H22FN5O5S/c1-11-8-15-19(10-29-11,24-17(21)25(2)31(15,26)27)13-9-12(4-5-14(13)20)30-18-22-7-6-16(23-18)28-3/h4-7,9,11,15H,8,10H2,1-3H3,(H2,21,24)/t11-,15+,19+/m0/s1
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7.5n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
BACE1: Reagents: Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE1 catalytic domain (>95% pure); A...


US Patent US10604534 (2020)

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


(Homo sapiens (Human))
BDBM439297
PNG
(US10604534, Example 14)
Show SMILES COC[C@H]1C[C@@H]2[C@](CO1)(NC(=N)N(C)S2(=O)=O)c1cc(OCC2CC2)ccc1F
Show InChI InChI=1S/C19H26FN3O5S/c1-23-18(21)22-19(11-28-14(10-26-2)8-17(19)29(23,24)25)15-7-13(5-6-16(15)20)27-9-12-3-4-12/h5-7,12,14,17H,3-4,8-11H2,1-2H3,(H2,21,22)/t14-,17-,19-/m1/s1
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7.90n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
BACE1: Reagents: Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE1 catalytic domain (>95% pure); A...


US Patent US10604534 (2020)

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


(Homo sapiens (Human))
BDBM439242
PNG
(US10604534, Example 8)
Show SMILES C[C@H]1C[C@@H]2[C@](CO1)(NC(=N)N(C)S2(=O)=O)c1cc(OCC23CC(C2)(C3)C#N)ccc1F
Show InChI InChI=1S/C21H25FN4O4S/c1-13-5-17-21(12-29-13,25-18(24)26(2)31(17,27)28)15-6-14(3-4-16(15)22)30-11-20-7-19(8-20,9-20)10-23/h3-4,6,13,17H,5,7-9,11-12H2,1-2H3,(H2,24,25)/t13-,17+,19?,20?,21+/m0/s1
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9.10n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
BACE1: Reagents: Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE1 catalytic domain (>95% pure); A...


US Patent US10604534 (2020)

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


(Homo sapiens (Human))
BDBM439298
PNG
(US10604534, Example 15)
Show SMILES COC[C@H]1C[C@@H]2[C@](CO1)(NC(=N)N(C)S2(=O)=O)c1cc(OCC23CC(C2)(C3)C#N)ccc1F
Show InChI InChI=1S/C22H27FN4O5S/c1-27-19(25)26-22(13-32-15(7-30-2)6-18(22)33(27,28)29)16-5-14(3-4-17(16)23)31-12-21-8-20(9-21,10-21)11-24/h3-5,15,18H,6-10,12-13H2,1-2H3,(H2,25,26)/t15-,18-,20?,21?,22-/m1/s1
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9.10n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
BACE1: Reagents: Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE1 catalytic domain (>95% pure); A...


US Patent US10604534 (2020)

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


(Homo sapiens (Human))
BDBM439249
PNG
(US10604534, Example 9)
Show SMILES COC[C@H]1C[C@@H]2[C@](CO1)(NC(=N)N(C)S2(=O)=O)c1cc(Oc2cncc(OC)n2)ccc1F
Show InChI InChI=1S/C20H24FN5O6S/c1-26-19(22)25-20(11-31-13(10-29-2)7-16(20)33(26,27)28)14-6-12(4-5-15(14)21)32-18-9-23-8-17(24-18)30-3/h4-6,8-9,13,16H,7,10-11H2,1-3H3,(H2,22,25)/t13-,16-,20-/m1/s1
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9.40n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10604534 (2020)

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


(Homo sapiens (Human))
BDBM439199
PNG
(US10604534, Example 2)
Show SMILES COc1ccnc(Oc2ccc(F)c(c2)[C@]23CO[C@@H](C)C[C@H]2S(=O)(=O)N(C)C(=N)N3)n1
Show InChI InChI=1S/C19H22FN5O5S/c1-11-8-15-19(10-29-11,24-17(21)25(2)31(15,26)27)13-9-12(4-5-14(13)20)30-18-22-7-6-16(23-18)28-3/h4-7,9,11,15H,8,10H2,1-3H3,(H2,21,24)/t11-,15+,19+/m0/s1
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9.60n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10604534 (2020)

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


(Homo sapiens (Human))
BDBM439296
PNG
(US10604534, Example 13)
Show SMILES COC[C@H]1C[C@@H]2[C@](CO1)(NC(=N)N(C)S2(=O)=O)c1cc(Oc2cc(F)cnc2F)ccc1F
Show InChI InChI=1S/C20H21F3N4O5S/c1-27-19(24)26-20(10-31-13(9-30-2)7-17(20)33(27,28)29)14-6-12(3-4-15(14)22)32-16-5-11(21)8-25-18(16)23/h3-6,8,13,17H,7,9-10H2,1-2H3,(H2,24,26)/t13-,17-,20-/m1/s1
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10n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10604534 (2020)

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


(Homo sapiens (Human))
BDBM439201
PNG
(US10604534, Example 4)
Show SMILES C[C@H]1C[C@@H]2[C@](CO1)(NC(=N)N(C)S2(=O)=O)c1cc(Oc2ncncc2F)ccc1F
Show InChI InChI=1S/C18H19F2N5O4S/c1-10-5-15-18(8-28-10,24-17(21)25(2)30(15,26)27)12-6-11(3-4-13(12)19)29-16-14(20)7-22-9-23-16/h3-4,6-7,9-10,15H,5,8H2,1-2H3,(H2,21,24)/t10-,15+,18+/m0/s1
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12n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
BACE1: Reagents: Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE1 catalytic domain (>95% pure); A...


US Patent US10604534 (2020)

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


(Homo sapiens (Human))
BDBM439202
PNG
(US10604534, Example 5)
Show SMILES C[C@H]1C[C@@H]2[C@](CO1)(NC(=N)N(C)S2(=O)=O)c1cc(Oc2ncc(F)cc2F)ccc1F
Show InChI InChI=1S/C19H19F3N4O4S/c1-10-5-16-19(9-29-10,25-18(23)26(2)31(16,27)28)13-7-12(3-4-14(13)21)30-17-15(22)6-11(20)8-24-17/h3-4,6-8,10,16H,5,9H2,1-2H3,(H2,23,25)/t10-,16+,19+/m0/s1
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13n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10604534 (2020)

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


(Homo sapiens (Human))
BDBM439203
PNG
(US10604534, Example 6)
Show SMILES C[C@H]1C[C@@H]2[C@](CO1)(NC(=N)N(C)S2(=O)=O)c1cc(Oc2cc(F)cnc2F)ccc1F
Show InChI InChI=1S/C19H19F3N4O4S/c1-10-5-16-19(9-29-10,25-18(23)26(2)31(16,27)28)13-7-12(3-4-14(13)21)30-15-6-11(20)8-24-17(15)22/h3-4,6-8,10,16H,5,9H2,1-2H3,(H2,23,25)/t10-,16+,19+/m0/s1
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15n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10604534 (2020)

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


(Homo sapiens (Human))
BDBM439295
PNG
(US10604534, Example 12)
Show SMILES COC[C@H]1C[C@@H]2[C@](CO1)(NC(=N)N(C)S2(=O)=O)c1cc(Oc2ncc(F)cc2F)ccc1F
Show InChI InChI=1S/C20H21F3N4O5S/c1-27-19(24)26-20(10-31-13(9-30-2)7-17(20)33(27,28)29)14-6-12(3-4-15(14)22)32-18-16(23)5-11(21)8-25-18/h3-6,8,13,17H,7,9-10H2,1-2H3,(H2,24,26)/t13-,17-,20-/m1/s1
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18n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10604534 (2020)

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


(Homo sapiens (Human))
BDBM439295
PNG
(US10604534, Example 12)
Show SMILES COC[C@H]1C[C@@H]2[C@](CO1)(NC(=N)N(C)S2(=O)=O)c1cc(Oc2ncc(F)cc2F)ccc1F
Show InChI InChI=1S/C20H21F3N4O5S/c1-27-19(24)26-20(10-31-13(9-30-2)7-17(20)33(27,28)29)14-6-12(3-4-15(14)22)32-18-16(23)5-11(21)8-25-18/h3-6,8,13,17H,7,9-10H2,1-2H3,(H2,24,26)/t13-,17-,20-/m1/s1
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20n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
BACE1: Reagents: Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE1 catalytic domain (>95% pure); A...


US Patent US10604534 (2020)

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


(Homo sapiens (Human))
BDBM439202
PNG
(US10604534, Example 5)
Show SMILES C[C@H]1C[C@@H]2[C@](CO1)(NC(=N)N(C)S2(=O)=O)c1cc(Oc2ncc(F)cc2F)ccc1F
Show InChI InChI=1S/C19H19F3N4O4S/c1-10-5-16-19(9-29-10,25-18(23)26(2)31(16,27)28)13-7-12(3-4-14(13)21)30-17-15(22)6-11(20)8-24-17/h3-4,6-8,10,16H,5,9H2,1-2H3,(H2,23,25)/t10-,16+,19+/m0/s1
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25n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
BACE1: Reagents: Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE1 catalytic domain (>95% pure); A...


US Patent US10604534 (2020)

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


(Homo sapiens (Human))
BDBM439301
PNG
(US10604534, Example 18)
Show SMILES COC[C@H]1C[C@@H]2[C@](CO1)(NC(=N)N(C)S2(=O)=O)c1cc(Oc2cccnc2F)ccc1F
Show InChI InChI=1S/C20H22F2N4O5S/c1-26-19(23)25-20(11-30-13(10-29-2)9-17(20)32(26,27)28)14-8-12(5-6-15(14)21)31-16-4-3-7-24-18(16)22/h3-8,13,17H,9-11H2,1-2H3,(H2,23,25)/t13-,17-,20-/m1/s1
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28n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
BACE1: Reagents: Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE1 catalytic domain (>95% pure); A...


US Patent US10604534 (2020)

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


(Homo sapiens (Human))
BDBM439298
PNG
(US10604534, Example 15)
Show SMILES COC[C@H]1C[C@@H]2[C@](CO1)(NC(=N)N(C)S2(=O)=O)c1cc(OCC23CC(C2)(C3)C#N)ccc1F
Show InChI InChI=1S/C22H27FN4O5S/c1-27-19(25)26-22(13-32-15(7-30-2)6-18(22)33(27,28)29)16-5-14(3-4-17(16)23)31-12-21-8-20(9-21,10-21)11-24/h3-5,15,18H,6-10,12-13H2,1-2H3,(H2,25,26)/t15-,18-,20?,21?,22-/m1/s1
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28n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10604534 (2020)

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


(Homo sapiens (Human))
BDBM439242
PNG
(US10604534, Example 8)
Show SMILES C[C@H]1C[C@@H]2[C@](CO1)(NC(=N)N(C)S2(=O)=O)c1cc(OCC23CC(C2)(C3)C#N)ccc1F
Show InChI InChI=1S/C21H25FN4O4S/c1-13-5-17-21(12-29-13,25-18(24)26(2)31(17,27)28)15-6-14(3-4-16(15)22)30-11-20-7-19(8-20,9-20)10-23/h3-4,6,13,17H,5,7-9,11-12H2,1-2H3,(H2,24,25)/t13-,17+,19?,20?,21+/m0/s1
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28n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10604534 (2020)

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


(Homo sapiens (Human))
BDBM439205
PNG
(US10604534, Example 7)
Show SMILES C[C@H]1C[C@@H]2[C@](CO1)(NC(=N)N(C)S2(=O)=O)c1cc(OCC2CC2)ccc1F
Show InChI InChI=1S/C18H24FN3O4S/c1-11-7-16-18(10-26-11,21-17(20)22(2)27(16,23)24)14-8-13(5-6-15(14)19)25-9-12-3-4-12/h5-6,8,11-12,16H,3-4,7,9-10H2,1-2H3,(H2,20,21)/t11-,16+,18+/m0/s1
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28n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
BACE1: Reagents: Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE1 catalytic domain (>95% pure); A...


US Patent US10604534 (2020)

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


(Homo sapiens (Human))
BDBM439301
PNG
(US10604534, Example 18)
Show SMILES COC[C@H]1C[C@@H]2[C@](CO1)(NC(=N)N(C)S2(=O)=O)c1cc(Oc2cccnc2F)ccc1F
Show InChI InChI=1S/C20H22F2N4O5S/c1-26-19(23)25-20(11-30-13(10-29-2)9-17(20)32(26,27)28)14-8-12(5-6-15(14)21)31-16-4-3-7-24-18(16)22/h3-8,13,17H,9-11H2,1-2H3,(H2,23,25)/t13-,17-,20-/m1/s1
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36n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10604534 (2020)

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


(Homo sapiens (Human))
BDBM439299
PNG
(US10604534, Example 16)
Show SMILES COC[C@H]1C[C@@H]2[C@](CO1)(NC(=N)N(C)S2(=O)=O)c1cc(Oc2cccnc2)ccc1F
Show InChI InChI=1S/C20H23FN4O5S/c1-25-19(22)24-20(12-29-15(11-28-2)9-18(20)31(25,26)27)16-8-13(5-6-17(16)21)30-14-4-3-7-23-10-14/h3-8,10,15,18H,9,11-12H2,1-2H3,(H2,22,24)/t15-,18-,20-/m1/s1
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39n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
BACE1: Reagents: Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE1 catalytic domain (>95% pure); A...


US Patent US10604534 (2020)

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


(Homo sapiens (Human))
BDBM439299
PNG
(US10604534, Example 16)
Show SMILES COC[C@H]1C[C@@H]2[C@](CO1)(NC(=N)N(C)S2(=O)=O)c1cc(Oc2cccnc2)ccc1F
Show InChI InChI=1S/C20H23FN4O5S/c1-25-19(22)24-20(12-29-15(11-28-2)9-18(20)31(25,26)27)16-8-13(5-6-17(16)21)30-14-4-3-7-23-10-14/h3-8,10,15,18H,9,11-12H2,1-2H3,(H2,22,24)/t15-,18-,20-/m1/s1
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52n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10604534 (2020)

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


(Homo sapiens (Human))
BDBM439302
PNG
(US10604534, Example 19)
Show SMILES COC[C@H]1C[C@@H]2[C@](CO1)(NC(=N)N(C)S2(=O)=O)c1cc(Oc2cnccc2Cl)ccc1F
Show InChI InChI=1S/C20H22ClFN4O5S/c1-26-19(23)25-20(11-30-13(10-29-2)8-18(20)32(26,27)28)14-7-12(3-4-16(14)22)31-17-9-24-6-5-15(17)21/h3-7,9,13,18H,8,10-11H2,1-2H3,(H2,23,25)/t13-,18-,20-/m1/s1
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89n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10604534 (2020)

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


(Homo sapiens (Human))
BDBM439302
PNG
(US10604534, Example 19)
Show SMILES COC[C@H]1C[C@@H]2[C@](CO1)(NC(=N)N(C)S2(=O)=O)c1cc(Oc2cnccc2Cl)ccc1F
Show InChI InChI=1S/C20H22ClFN4O5S/c1-26-19(23)25-20(11-30-13(10-29-2)8-18(20)32(26,27)28)14-7-12(3-4-16(14)22)31-17-9-24-6-5-15(17)21/h3-7,9,13,18H,8,10-11H2,1-2H3,(H2,23,25)/t13-,18-,20-/m1/s1
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203n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
BACE1: Reagents: Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE1 catalytic domain (>95% pure); A...


US Patent US10604534 (2020)

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