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Patent code US10047098

Compile Data Set for Download or QSAR
Found 188 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
BACE-2


(Homo sapiens (Human))
BDBM228057
PNG
(US10047098, 85)
Show SMILES CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)c1ccc(F)cc1)c1cc(OCC2CC2)ccc1F
Show InChI InChI=1S/C24H25F2N3O3/c1-29-22(30)19-11-21(15-4-6-16(25)7-5-15)32-13-24(19,28-23(29)27)18-10-17(8-9-20(18)26)31-12-14-2-3-14/h4-10,14,19,21H,2-3,11-13H2,1H3,(H2,27,28)/t19-,21+,24+/m0/s1
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0.760n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-1


(Homo sapiens (Human))
BDBM227970
PNG
(US10047098, 3)
Show SMILES COC[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(Oc2ncccc2F)c(F)cc1F
Show InChI InChI=1S/C21H21F3N4O4/c1-28-19(29)13-6-11(9-30-2)31-10-21(13,27-20(28)25)12-7-17(16(24)8-15(12)23)32-18-14(22)4-3-5-26-18/h3-5,7-8,11,13H,6,9-10H2,1-2H3,(H2,25,27)/t11-,13+,21-/m1/s1
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1n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-2


(Homo sapiens (Human))
BDBM227978
PNG
(US10047098, 10)
Show SMILES C[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(Oc2ncccc2F)c(F)cc1F
Show InChI InChI=1S/C20H19F3N4O3/c1-10-6-12-18(28)27(2)19(24)26-20(12,9-29-10)11-7-16(15(23)8-14(11)22)30-17-13(21)4-3-5-25-17/h3-5,7-8,10,12H,6,9H2,1-2H3,(H2,24,26)/t10-,12-,20+/m0/s1
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2n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-1


(Homo sapiens (Human))
BDBM227982
PNG
(US10047098, 14)
Show SMILES CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C1CC1)c1cc(Oc2cc(ccn2)C#N)ccc1F
Show InChI InChI=1S/C23H22FN5O3/c1-29-21(30)17-10-19(14-2-3-14)31-12-23(17,28-22(29)26)16-9-15(4-5-18(16)24)32-20-8-13(11-25)6-7-27-20/h4-9,14,17,19H,2-3,10,12H2,1H3,(H2,26,28)/t17-,19+,23+/m0/s1
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2n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-1


(Homo sapiens (Human))
BDBM227983
PNG
(US10047098, 15)
Show SMILES CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C1CC1)c1cc(Oc2ncccc2F)ccc1F
Show InChI InChI=1S/C22H22F2N4O3/c1-28-20(29)15-10-18(12-4-5-12)30-11-22(15,27-21(28)25)14-9-13(6-7-16(14)23)31-19-17(24)3-2-8-26-19/h2-3,6-9,12,15,18H,4-5,10-11H2,1H3,(H2,25,27)/t15-,18+,22+/m0/s1
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2n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-1


(Homo sapiens (Human))
BDBM227977
PNG
(US10047098, 9)
Show SMILES C[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(Oc2cc(ccn2)C#N)c(F)cc1F
Show InChI InChI=1S/C21H19F2N5O3/c1-11-5-14-19(29)28(2)20(25)27-21(14,10-30-11)13-7-17(16(23)8-15(13)22)31-18-6-12(9-24)3-4-26-18/h3-4,6-8,11,14H,5,10H2,1-2H3,(H2,25,27)/t11-,14-,21+/m0/s1
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2n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-2


(Homo sapiens (Human))
BDBM227991
PNG
(US10047098, 23 | US10047098, 92)
Show SMILES C[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(OCC2CC2)ccc1F
Show InChI InChI=1S/C19H24FN3O3/c1-11-7-15-17(24)23(2)18(21)22-19(15,10-26-11)14-8-13(5-6-16(14)20)25-9-12-3-4-12/h5-6,8,11-12,15H,3-4,7,9-10H2,1-2H3,(H2,21,22)/t11-,15-,19+/m0/s1
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2.19n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-1


(Homo sapiens (Human))
BDBM228006
PNG
(US10047098, 34)
Show SMILES CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C1CC1)c1cc(Oc2cccc(n2)-n2cccn2)ccc1F
Show InChI InChI=1S/C25H25FN6O3/c1-31-23(33)18-13-20(15-6-7-15)34-14-25(18,30-24(31)27)17-12-16(8-9-19(17)26)35-22-5-2-4-21(29-22)32-11-3-10-28-32/h2-5,8-12,15,18,20H,6-7,13-14H2,1H3,(H2,27,30)/t18-,20+,25+/m0/s1
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2.20n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-1


(Homo sapiens (Human))
BDBM228033
PNG
(US10047098, 59)
Show SMILES COC[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(Oc2cc(F)cnc2F)c(F)cc1F
Show InChI InChI=1S/C21H20F4N4O4/c1-29-19(30)13-4-11(8-31-2)32-9-21(13,28-20(29)26)12-5-16(15(24)6-14(12)23)33-17-3-10(22)7-27-18(17)25/h3,5-7,11,13H,4,8-9H2,1-2H3,(H2,26,28)/t11-,13+,21-/m1/s1
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3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-1


(Homo sapiens (Human))
BDBM227969
PNG
(US10047098, 2)
Show SMILES COC[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(Oc2cc(ccn2)C#N)c(F)cc1F
Show InChI InChI=1S/C22H21F2N5O4/c1-29-20(30)15-6-13(10-31-2)32-11-22(15,28-21(29)26)14-7-18(17(24)8-16(14)23)33-19-5-12(9-25)3-4-27-19/h3-5,7-8,13,15H,6,10-11H2,1-2H3,(H2,26,28)/t13-,15+,22-/m1/s1
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3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-1


(Homo sapiens (Human))
BDBM228000
PNG
(US10047098, 30)
Show SMILES COC[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(Oc2cc(ccn2)C#N)ccc1F
Show InChI InChI=1S/C22H22FN5O4/c1-28-20(29)17-9-15(11-30-2)31-12-22(17,27-21(28)25)16-8-14(3-4-18(16)23)32-19-7-13(10-24)5-6-26-19/h3-8,15,17H,9,11-12H2,1-2H3,(H2,25,27)/t15-,17+,22-/m1/s1
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3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-2


(Homo sapiens (Human))
BDBM227970
PNG
(US10047098, 3)
Show SMILES COC[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(Oc2ncccc2F)c(F)cc1F
Show InChI InChI=1S/C21H21F3N4O4/c1-28-19(29)13-6-11(9-30-2)31-10-21(13,27-20(28)25)12-7-17(16(24)8-15(12)23)32-18-14(22)4-3-5-26-18/h3-5,7-8,11,13H,6,9-10H2,1-2H3,(H2,25,27)/t11-,13+,21-/m1/s1
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3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-1


(Homo sapiens (Human))
BDBM228057
PNG
(US10047098, 85)
Show SMILES CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)c1ccc(F)cc1)c1cc(OCC2CC2)ccc1F
Show InChI InChI=1S/C24H25F2N3O3/c1-29-22(30)19-11-21(15-4-6-16(25)7-5-15)32-13-24(19,28-23(29)27)18-10-17(8-9-20(18)26)31-12-14-2-3-14/h4-10,14,19,21H,2-3,11-13H2,1H3,(H2,27,28)/t19-,21+,24+/m0/s1
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3.20n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-1


(Homo sapiens (Human))
BDBM227978
PNG
(US10047098, 10)
Show SMILES C[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(Oc2ncccc2F)c(F)cc1F
Show InChI InChI=1S/C20H19F3N4O3/c1-10-6-12-18(28)27(2)19(24)26-20(12,9-29-10)11-7-16(15(23)8-14(11)22)30-17-13(21)4-3-5-25-17/h3-5,7-8,10,12H,6,9H2,1-2H3,(H2,24,26)/t10-,12-,20+/m0/s1
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4n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-2


(Homo sapiens (Human))
BDBM227977
PNG
(US10047098, 9)
Show SMILES C[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(Oc2cc(ccn2)C#N)c(F)cc1F
Show InChI InChI=1S/C21H19F2N5O3/c1-11-5-14-19(29)28(2)20(25)27-21(14,10-30-11)13-7-17(16(23)8-15(13)22)31-18-6-12(9-24)3-4-26-18/h3-4,6-8,11,14H,5,10H2,1-2H3,(H2,25,27)/t11-,14-,21+/m0/s1
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4n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-2


(Homo sapiens (Human))
BDBM228028
PNG
(US10047098, 54)
Show SMILES CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C1CC1)c1cc(OCC23CC(C2)C3)ccc1F
Show InChI InChI=1S/C23H28FN3O3/c1-27-20(28)17-7-19(14-2-3-14)30-12-23(17,26-21(27)25)16-6-15(4-5-18(16)24)29-11-22-8-13(9-22)10-22/h4-6,13-14,17,19H,2-3,7-12H2,1H3,(H2,25,26)/t13?,17-,19+,22?,23+/m0/s1
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4n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-1


(Homo sapiens (Human))
BDBM228001
PNG
(US10047098, 31)
Show SMILES COC[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(Oc2ncccc2F)ccc1F
Show InChI InChI=1S/C21H22F2N4O4/c1-27-19(28)15-9-13(10-29-2)30-11-21(15,26-20(27)24)14-8-12(5-6-16(14)22)31-18-17(23)4-3-7-25-18/h3-8,13,15H,9-11H2,1-2H3,(H2,24,26)/t13-,15+,21-/m1/s1
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4n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-2


(Homo sapiens (Human))
BDBM228065
PNG
(US10047098, 93)
Show SMILES C[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(OCCC=C)ncc1F
Show InChI InChI=1S/C18H23FN4O3/c1-4-5-6-25-15-8-12(14(19)9-21-15)18-10-26-11(2)7-13(18)16(24)23(3)17(20)22-18/h4,8-9,11,13H,1,5-7,10H2,2-3H3,(H2,20,22)/t11-,13-,18+/m0/s1
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4.46n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-2


(Homo sapiens (Human))
BDBM227987
PNG
(US10047098, 19)
Show SMILES C[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(Oc2ncccc2F)ccc1F
Show InChI InChI=1S/C20H20F2N4O3/c1-11-8-14-18(27)26(2)19(23)25-20(14,10-28-11)13-9-12(5-6-15(13)21)29-17-16(22)4-3-7-24-17/h3-7,9,11,14H,8,10H2,1-2H3,(H2,23,25)/t11-,14-,20+/m0/s1
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5n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-2


(Homo sapiens (Human))
BDBM228060
PNG
(US10047098, 88)
Show SMILES CN1C(=N)N[C@]2(COCC[C@H]2C1=O)c1cc(OCC2CC2)ccc1F
Show InChI InChI=1S/C18H22FN3O3/c1-22-16(23)13-6-7-24-10-18(13,21-17(22)20)14-8-12(4-5-15(14)19)25-9-11-2-3-11/h4-5,8,11,13H,2-3,6-7,9-10H2,1H3,(H2,20,21)/t13-,18-/m0/s1
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5.96n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-1


(Homo sapiens (Human))
BDBM227989
PNG
(US10047098, 21)
Show SMILES C[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(Oc2cc(ccn2)C#N)ccc1F
Show InChI InChI=1S/C21H20FN5O3/c1-12-7-16-19(28)27(2)20(24)26-21(16,11-29-12)15-9-14(3-4-17(15)22)30-18-8-13(10-23)5-6-25-18/h3-6,8-9,12,16H,7,11H2,1-2H3,(H2,24,26)/t12-,16-,21+/m0/s1
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6n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-2


(Homo sapiens (Human))
BDBM227989
PNG
(US10047098, 21)
Show SMILES C[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(Oc2cc(ccn2)C#N)ccc1F
Show InChI InChI=1S/C21H20FN5O3/c1-12-7-16-19(28)27(2)20(24)26-21(16,11-29-12)15-9-14(3-4-17(15)22)30-18-8-13(10-23)5-6-25-18/h3-6,8-9,12,16H,7,11H2,1-2H3,(H2,24,26)/t12-,16-,21+/m0/s1
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6n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-1


(Homo sapiens (Human))
BDBM228037
PNG
(US10047098, 65)
Show SMILES COc1cncc(Oc2ccc(F)c(c2)[C@]23CO[C@@H](C)C[C@H]2C(=O)N(C)C(=N)N3)n1
Show InChI InChI=1S/C20H22FN5O4/c1-11-6-14-18(27)26(2)19(22)25-20(14,10-29-11)13-7-12(4-5-15(13)21)30-17-9-23-8-16(24-17)28-3/h4-5,7-9,11,14H,6,10H2,1-3H3,(H2,22,25)/t11-,14-,20+/m0/s1
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6.60n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-2


(Homo sapiens (Human))
BDBM228041
PNG
(US10047098, 69)
Show SMILES C[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(Oc2ncncc2F)ccc1F
Show InChI InChI=1S/C19H19F2N5O3/c1-10-5-13-17(27)26(2)18(22)25-19(13,8-28-10)12-6-11(3-4-14(12)20)29-16-15(21)7-23-9-24-16/h3-4,6-7,9-10,13H,5,8H2,1-2H3,(H2,22,25)/t10-,13-,19+/m0/s1
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6.78n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-1


(Homo sapiens (Human))
BDBM227987
PNG
(US10047098, 19)
Show SMILES C[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(Oc2ncccc2F)ccc1F
Show InChI InChI=1S/C20H20F2N4O3/c1-11-8-14-18(27)26(2)19(23)25-20(14,10-28-11)13-9-12(5-6-15(13)21)29-17-16(22)4-3-7-24-17/h3-7,9,11,14H,8,10H2,1-2H3,(H2,23,25)/t11-,14-,20+/m0/s1
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7n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-1


(Homo sapiens (Human))
BDBM228014
PNG
(US10047098, 42)
Show SMILES COc1cncc(Oc2ccc(F)c(c2)[C@]23CO[C@H](C[C@H]2C(=O)N(C)C(=N)N3)C2CC2)n1
Show InChI InChI=1S/C22H24FN5O4/c1-28-20(29)15-8-17(12-3-4-12)31-11-22(15,27-21(28)24)14-7-13(5-6-16(14)23)32-19-10-25-9-18(26-19)30-2/h5-7,9-10,12,15,17H,3-4,8,11H2,1-2H3,(H2,24,27)/t15-,17+,22+/m0/s1
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7n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-1


(Homo sapiens (Human))
BDBM227995
PNG
(US10047098, 26)
Show SMILES C[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(OCC23CC(C2)(C3)C#N)ccc1F
Show InChI InChI=1S/C22H25FN4O3/c1-13-5-16-18(28)27(2)19(25)26-22(16,12-29-13)15-6-14(3-4-17(15)23)30-11-21-7-20(8-21,9-21)10-24/h3-4,6,13,16H,5,7-9,11-12H2,1-2H3,(H2,25,26)/t13-,16-,20?,21?,22+/m0/s1
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8n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-2


(Homo sapiens (Human))
BDBM227983
PNG
(US10047098, 15)
Show SMILES CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C1CC1)c1cc(Oc2ncccc2F)ccc1F
Show InChI InChI=1S/C22H22F2N4O3/c1-28-20(29)15-10-18(12-4-5-12)30-11-22(15,27-21(28)25)14-9-13(6-7-16(14)23)31-19-17(24)3-2-8-26-19/h2-3,6-9,12,15,18H,4-5,10-11H2,1H3,(H2,25,27)/t15-,18+,22+/m0/s1
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8n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-2


(Homo sapiens (Human))
BDBM227991
PNG
(US10047098, 23 | US10047098, 92)
Show SMILES C[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(OCC2CC2)ccc1F
Show InChI InChI=1S/C19H24FN3O3/c1-11-7-15-17(24)23(2)18(21)22-19(15,10-26-11)14-8-13(5-6-16(14)20)25-9-12-3-4-12/h5-6,8,11-12,15H,3-4,7,9-10H2,1-2H3,(H2,21,22)/t11-,15-,19+/m0/s1
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8n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-2


(Homo sapiens (Human))
BDBM228001
PNG
(US10047098, 31)
Show SMILES COC[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(Oc2ncccc2F)ccc1F
Show InChI InChI=1S/C21H22F2N4O4/c1-27-19(28)15-9-13(10-29-2)30-11-21(15,26-20(27)24)14-8-12(5-6-16(14)22)31-18-17(23)4-3-7-25-18/h3-8,13,15H,9-11H2,1-2H3,(H2,24,26)/t13-,15+,21-/m1/s1
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8n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-1


(Homo sapiens (Human))
BDBM228052
PNG
(US10047098, 80)
Show SMILES C[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(Oc2cc(F)cnc2F)ccc1F
Show InChI InChI=1S/C20H19F3N4O3/c1-10-5-14-18(28)27(2)19(24)26-20(14,9-29-10)13-7-12(3-4-15(13)22)30-16-6-11(21)8-25-17(16)23/h3-4,6-8,10,14H,5,9H2,1-2H3,(H2,24,26)/t10-,14-,20+/m0/s1
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8.5n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-2


(Homo sapiens (Human))
BDBM228002
PNG
(US10047098, 32 | US10047098, 90)
Show SMILES COC[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(OCC2CC2)ccc1F
Show InChI InChI=1S/C20H26FN3O4/c1-24-18(25)16-8-14(10-26-2)28-11-20(16,23-19(24)22)15-7-13(5-6-17(15)21)27-9-12-3-4-12/h5-7,12,14,16H,3-4,8-11H2,1-2H3,(H2,22,23)/t14-,16+,20-/m1/s1
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8.84n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-1


(Homo sapiens (Human))
BDBM228008
PNG
(US10047098, 36 | US10047098, 79)
Show SMILES C[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(Oc2ncc(F)cc2F)ccc1F
Show InChI InChI=1S/C20H19F3N4O3/c1-10-5-14-18(28)27(2)19(24)26-20(14,9-29-10)13-7-12(3-4-15(13)22)30-17-16(23)6-11(21)8-25-17/h3-4,6-8,10,14H,5,9H2,1-2H3,(H2,24,26)/t10-,14-,20+/m0/s1
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8.90n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-1


(Homo sapiens (Human))
BDBM228030
PNG
(US10047098, 56)
Show SMILES CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C1CC1)c1cc(Oc2cc(ccn2)-n2cccn2)ccc1F
Show InChI InChI=1S/C25H25FN6O3/c1-31-23(33)19-13-21(15-3-4-15)34-14-25(19,30-24(31)27)18-12-17(5-6-20(18)26)35-22-11-16(7-9-28-22)32-10-2-8-29-32/h2,5-12,15,19,21H,3-4,13-14H2,1H3,(H2,27,30)/t19-,21+,25+/m0/s1
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9n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-2


(Homo sapiens (Human))
BDBM228002
PNG
(US10047098, 32 | US10047098, 90)
Show SMILES COC[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(OCC2CC2)ccc1F
Show InChI InChI=1S/C20H26FN3O4/c1-24-18(25)16-8-14(10-26-2)28-11-20(16,23-19(24)22)15-7-13(5-6-17(15)21)27-9-12-3-4-12/h5-7,12,14,16H,3-4,8-11H2,1-2H3,(H2,22,23)/t14-,16+,20-/m1/s1
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9n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-1


(Homo sapiens (Human))
BDBM228009
PNG
(US10047098, 37)
Show SMILES CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C1CC1)c1cc(OCC23CC(C2)(C3)C#N)ccc1F
Show InChI InChI=1S/C24H27FN4O3/c1-29-20(30)17-7-19(14-2-3-14)32-13-24(17,28-21(29)27)16-6-15(4-5-18(16)25)31-12-23-8-22(9-23,10-23)11-26/h4-6,14,17,19H,2-3,7-10,12-13H2,1H3,(H2,27,28)/t17-,19+,22?,23?,24+/m0/s1
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9n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-2


(Homo sapiens (Human))
BDBM228044
PNG
(US10047098, 72)
Show SMILES C[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(Oc2ncccc2Cl)ccc1F
Show InChI InChI=1S/C20H20ClFN4O3/c1-11-8-14-18(27)26(2)19(23)25-20(14,10-28-11)13-9-12(5-6-16(13)22)29-17-15(21)4-3-7-24-17/h3-7,9,11,14H,8,10H2,1-2H3,(H2,23,25)/t11-,14-,20+/m0/s1
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9.67n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-1


(Homo sapiens (Human))
BDBM227996
PNG
(US10047098, 27)
Show SMILES CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C1CC1)c1cc(Oc2cncc(c2)C#N)ccc1F
Show InChI InChI=1S/C23H22FN5O3/c1-29-21(30)18-8-20(14-2-3-14)31-12-23(18,28-22(29)26)17-7-15(4-5-19(17)24)32-16-6-13(9-25)10-27-11-16/h4-7,10-11,14,18,20H,2-3,8,12H2,1H3,(H2,26,28)/t18-,20+,23+/m0/s1
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10n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-2


(Homo sapiens (Human))
BDBM227993
PNG
(US10047098, 24)
Show SMILES CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C1CC1)c1cc(OCC2CC2)ccc1F
Show InChI InChI=1S/C21H26FN3O3/c1-25-19(26)16-9-18(13-4-5-13)28-11-21(16,24-20(25)23)15-8-14(6-7-17(15)22)27-10-12-2-3-12/h6-8,12-13,16,18H,2-5,9-11H2,1H3,(H2,23,24)/t16-,18+,21+/m0/s1
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10n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-1


(Homo sapiens (Human))
BDBM228041
PNG
(US10047098, 69)
Show SMILES C[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(Oc2ncncc2F)ccc1F
Show InChI InChI=1S/C19H19F2N5O3/c1-10-5-13-17(27)26(2)18(22)25-19(13,8-28-10)12-6-11(3-4-14(12)20)29-16-15(21)7-23-9-24-16/h3-4,6-7,9-10,13H,5,8H2,1-2H3,(H2,22,25)/t10-,13-,19+/m0/s1
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11n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-2


(Homo sapiens (Human))
BDBM227969
PNG
(US10047098, 2)
Show SMILES COC[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(Oc2cc(ccn2)C#N)c(F)cc1F
Show InChI InChI=1S/C22H21F2N5O4/c1-29-20(30)15-6-13(10-31-2)32-11-22(15,28-21(29)26)14-7-18(17(24)8-16(14)23)33-19-5-12(9-25)3-4-27-19/h3-5,7-8,13,15H,6,10-11H2,1-2H3,(H2,26,28)/t13-,15+,22-/m1/s1
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11n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-1


(Homo sapiens (Human))
BDBM227993
PNG
(US10047098, 24)
Show SMILES CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C1CC1)c1cc(OCC2CC2)ccc1F
Show InChI InChI=1S/C21H26FN3O3/c1-25-19(26)16-9-18(13-4-5-13)28-11-21(16,24-20(25)23)15-8-14(6-7-17(15)22)27-10-12-2-3-12/h6-8,12-13,16,18H,2-5,9-11H2,1H3,(H2,23,24)/t16-,18+,21+/m0/s1
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11n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-2


(Homo sapiens (Human))
BDBM228012
PNG
(US10047098, 40)
Show SMILES CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C1CC1)c1cc(Oc2ccncc2)ccc1F
Show InChI InChI=1S/C22H23FN4O3/c1-27-20(28)17-11-19(13-2-3-13)29-12-22(17,26-21(27)24)16-10-15(4-5-18(16)23)30-14-6-8-25-9-7-14/h4-10,13,17,19H,2-3,11-12H2,1H3,(H2,24,26)/t17-,19+,22+/m0/s1
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11n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-1


(Homo sapiens (Human))
BDBM227986
PNG
(US10047098, 18)
Show SMILES CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C1CC1)c1cc(Oc2ncc(F)cc2F)ccc1F
Show InChI InChI=1S/C22H21F3N4O3/c1-29-20(30)15-8-18(11-2-3-11)31-10-22(15,28-21(29)26)14-7-13(4-5-16(14)24)32-19-17(25)6-12(23)9-27-19/h4-7,9,11,15,18H,2-3,8,10H2,1H3,(H2,26,28)/t15-,18+,22+/m0/s1
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11n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-1


(Homo sapiens (Human))
BDBM227991
PNG
(US10047098, 23 | US10047098, 92)
Show SMILES C[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(OCC2CC2)ccc1F
Show InChI InChI=1S/C19H24FN3O3/c1-11-7-15-17(24)23(2)18(21)22-19(15,10-26-11)14-8-13(5-6-16(14)20)25-9-12-3-4-12/h5-6,8,11-12,15H,3-4,7,9-10H2,1-2H3,(H2,21,22)/t11-,15-,19+/m0/s1
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11.1n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-1


(Homo sapiens (Human))
BDBM228038
PNG
(US10047098, 66)
Show SMILES C[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(Oc2cnccn2)ccc1F
Show InChI InChI=1S/C19H20FN5O3/c1-11-7-14-17(26)25(2)18(21)24-19(14,10-27-11)13-8-12(3-4-15(13)20)28-16-9-22-5-6-23-16/h3-6,8-9,11,14H,7,10H2,1-2H3,(H2,21,24)/t11-,14-,19+/m0/s1
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11.8n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-1


(Homo sapiens (Human))
BDBM227985
PNG
(US10047098, 17)
Show SMILES CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C1CC1)c1cc(Oc2cncc(C)n2)ccc1F
Show InChI InChI=1S/C22H24FN5O3/c1-12-9-25-10-19(26-12)31-14-5-6-17(23)15(7-14)22-11-30-18(13-3-4-13)8-16(22)20(29)28(2)21(24)27-22/h5-7,9-10,13,16,18H,3-4,8,11H2,1-2H3,(H2,24,27)/t16-,18+,22+/m0/s1
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12n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-1


(Homo sapiens (Human))
BDBM227991
PNG
(US10047098, 23 | US10047098, 92)
Show SMILES C[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(OCC2CC2)ccc1F
Show InChI InChI=1S/C19H24FN3O3/c1-11-7-15-17(24)23(2)18(21)22-19(15,10-26-11)14-8-13(5-6-16(14)20)25-9-12-3-4-12/h5-6,8,11-12,15H,3-4,7,9-10H2,1-2H3,(H2,21,22)/t11-,15-,19+/m0/s1
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13n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-1


(Homo sapiens (Human))
BDBM228011
PNG
(US10047098, 39)
Show SMILES CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C1CC1)c1cc(Oc2cnccn2)ccc1F
Show InChI InChI=1S/C21H22FN5O3/c1-27-19(28)15-9-17(12-2-3-12)29-11-21(15,26-20(27)23)14-8-13(4-5-16(14)22)30-18-10-24-6-7-25-18/h4-8,10,12,15,17H,2-3,9,11H2,1H3,(H2,23,26)/t15-,17+,21+/m0/s1
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13n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-1


(Homo sapiens (Human))
BDBM228032
PNG
(US10047098, 58)
Show SMILES CN1C(=N)N[C@]2(CO[C@H](CC2C1=O)C1CC1)c1cc(Oc2ncncc2F)ccc1F
Show InChI InChI=1S/C21H21F2N5O3/c1-28-19(29)14-7-17(11-2-3-11)30-9-21(14,27-20(28)24)13-6-12(4-5-15(13)22)31-18-16(23)8-25-10-26-18/h4-6,8,10-11,14,17H,2-3,7,9H2,1H3,(H2,24,27)/t14?,17-,21-/m1/s1
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13n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-2


(Homo sapiens (Human))
BDBM227982
PNG
(US10047098, 14)
Show SMILES CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C1CC1)c1cc(Oc2cc(ccn2)C#N)ccc1F
Show InChI InChI=1S/C23H22FN5O3/c1-29-21(30)17-10-19(14-2-3-14)31-12-23(17,28-22(29)26)16-9-15(4-5-18(16)24)32-20-8-13(11-25)6-7-27-20/h4-9,14,17,19H,2-3,10,12H2,1H3,(H2,26,28)/t17-,19+,23+/m0/s1
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13n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-1


(Homo sapiens (Human))
BDBM228007
PNG
(US10047098, 35)
Show SMILES CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C1CC1)c1cc(Oc2cccc(c2)-c2cocn2)ccc1F
Show InChI InChI=1S/C26H25FN4O4/c1-31-24(32)20-11-23(15-5-6-15)34-13-26(20,30-25(31)28)19-10-18(7-8-21(19)27)35-17-4-2-3-16(9-17)22-12-33-14-29-22/h2-4,7-10,12,14-15,20,23H,5-6,11,13H2,1H3,(H2,28,30)/t20-,23+,26+/m0/s1
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13n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-1


(Homo sapiens (Human))
BDBM228039
PNG
(US10047098, 67)
Show SMILES C[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(Oc2cncc(C)n2)ccc1F
Show InChI InChI=1S/C20H22FN5O3/c1-11-8-23-9-17(24-11)29-13-4-5-16(21)14(7-13)20-10-28-12(2)6-15(20)18(27)26(3)19(22)25-20/h4-5,7-9,12,15H,6,10H2,1-3H3,(H2,22,25)/t12-,15-,20+/m0/s1
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13.3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-2


(Homo sapiens (Human))
BDBM228048
PNG
(US10047098, 76)
Show SMILES C[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(Oc2ccccn2)ccc1F
Show InChI InChI=1S/C20H21FN4O3/c1-12-9-15-18(26)25(2)19(22)24-20(15,11-27-12)14-10-13(6-7-16(14)21)28-17-5-3-4-8-23-17/h3-8,10,12,15H,9,11H2,1-2H3,(H2,22,24)/t12-,15-,20+/m0/s1
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13.4n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-2


(Homo sapiens (Human))
BDBM228006
PNG
(US10047098, 34)
Show SMILES CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C1CC1)c1cc(Oc2cccc(n2)-n2cccn2)ccc1F
Show InChI InChI=1S/C25H25FN6O3/c1-31-23(33)18-13-20(15-6-7-15)34-14-25(18,30-24(31)27)17-12-16(8-9-19(17)26)35-22-5-2-4-21(29-22)32-11-3-10-28-32/h2-5,8-12,15,18,20H,6-7,13-14H2,1H3,(H2,27,30)/t18-,20+,25+/m0/s1
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13.5n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-2


(Homo sapiens (Human))
BDBM228059
PNG
(US10047098, 87)
Show SMILES CN1C(=N)N[C@]2(COCC[C@H]2C1=O)c1cc(Oc2ncccc2F)ccc1F
Show InChI InChI=1S/C19H18F2N4O3/c1-25-17(26)12-6-8-27-10-19(12,24-18(25)22)13-9-11(4-5-14(13)20)28-16-15(21)3-2-7-23-16/h2-5,7,9,12H,6,8,10H2,1H3,(H2,22,24)/t12-,19-/m0/s1
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13.5n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-2


(Homo sapiens (Human))
BDBM228043
PNG
(US10047098, 71)
Show SMILES COc1ccnc(Oc2ccc(F)c(c2)[C@]23CO[C@@H](C)C[C@H]2C(=O)N(C)C(=N)N3)c1
Show InChI InChI=1S/C21H23FN4O4/c1-12-8-16-19(27)26(2)20(23)25-21(16,11-29-12)15-9-14(4-5-17(15)22)30-18-10-13(28-3)6-7-24-18/h4-7,9-10,12,16H,8,11H2,1-3H3,(H2,23,25)/t12-,16-,21+/m0/s1
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15n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-2


(Homo sapiens (Human))
BDBM228037
PNG
(US10047098, 65)
Show SMILES COc1cncc(Oc2ccc(F)c(c2)[C@]23CO[C@@H](C)C[C@H]2C(=O)N(C)C(=N)N3)n1
Show InChI InChI=1S/C20H22FN5O4/c1-11-6-14-18(27)26(2)19(22)25-20(14,10-29-11)13-7-12(4-5-15(13)21)30-17-9-23-8-16(24-17)28-3/h4-5,7-9,11,14H,6,10H2,1-3H3,(H2,22,25)/t11-,14-,20+/m0/s1
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15.8n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-1


(Homo sapiens (Human))
BDBM227999
PNG
(US10047098, 29)
Show SMILES CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C1CC1)c1cc(Oc2cncc(n2)C(F)F)ccc1F
Show InChI InChI=1S/C22H22F3N5O3/c1-30-20(31)14-7-17(11-2-3-11)32-10-22(14,29-21(30)26)13-6-12(4-5-15(13)23)33-18-9-27-8-16(28-18)19(24)25/h4-6,8-9,11,14,17,19H,2-3,7,10H2,1H3,(H2,26,29)/t14-,17+,22+/m0/s1
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16n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-1


(Homo sapiens (Human))
BDBM228065
PNG
(US10047098, 93)
Show SMILES C[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(OCCC=C)ncc1F
Show InChI InChI=1S/C18H23FN4O3/c1-4-5-6-25-15-8-12(14(19)9-21-15)18-10-26-11(2)7-13(18)16(24)23(3)17(20)22-18/h4,8-9,11,13H,1,5-7,10H2,2-3H3,(H2,20,22)/t11-,13-,18+/m0/s1
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16.1n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-2


(Homo sapiens (Human))
BDBM228056
PNG
(US10047098, 84)
Show SMILES CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)c1ccc(F)cc1)c1cc(O)ccc1F
Show InChI InChI=1S/C20H19F2N3O3/c1-25-18(27)15-9-17(11-2-4-12(21)5-3-11)28-10-20(15,24-19(25)23)14-8-13(26)6-7-16(14)22/h2-8,15,17,26H,9-10H2,1H3,(H2,23,24)/t15-,17+,20+/m0/s1
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17.2n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-2


(Homo sapiens (Human))
BDBM228026
PNG
(US10047098, 52)
Show SMILES CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C1CC1)c1cc(OCC2CC2(F)F)ccc1F
Show InChI InChI=1S/C21H24F3N3O3/c1-27-18(28)15-7-17(11-2-3-11)30-10-20(15,26-19(27)25)14-6-13(4-5-16(14)22)29-9-12-8-21(12,23)24/h4-6,11-12,15,17H,2-3,7-10H2,1H3,(H2,25,26)/t12?,15-,17+,20+/m0/s1
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18n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-1


(Homo sapiens (Human))
BDBM228050
PNG
(US10047098, 78)
Show SMILES C[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(Oc2cncc(F)c2)ccc1F
Show InChI InChI=1S/C20H20F2N4O3/c1-11-5-16-18(27)26(2)19(23)25-20(16,10-28-11)15-7-13(3-4-17(15)22)29-14-6-12(21)8-24-9-14/h3-4,6-9,11,16H,5,10H2,1-2H3,(H2,23,25)/t11-,16-,20+/m0/s1
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20n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-2


(Homo sapiens (Human))
BDBM228033
PNG
(US10047098, 59)
Show SMILES COC[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(Oc2cc(F)cnc2F)c(F)cc1F
Show InChI InChI=1S/C21H20F4N4O4/c1-29-19(30)13-4-11(8-31-2)32-9-21(13,28-20(29)26)12-5-16(15(24)6-14(12)23)33-17-3-10(22)7-27-18(17)25/h3,5-7,11,13H,4,8-9H2,1-2H3,(H2,26,28)/t11-,13+,21-/m1/s1
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20n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-2


(Homo sapiens (Human))
BDBM228017
PNG
(US10047098, 44)
Show SMILES CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C1CC1)c1cc(OCC2CCC2)ccc1F
Show InChI InChI=1S/C22H28FN3O3/c1-26-20(27)17-10-19(14-5-6-14)29-12-22(17,25-21(26)24)16-9-15(7-8-18(16)23)28-11-13-3-2-4-13/h7-9,13-14,17,19H,2-6,10-12H2,1H3,(H2,24,25)/t17-,19+,22+/m0/s1
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20n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-1


(Homo sapiens (Human))
BDBM227971
PNG
(US10047098, 4)
Show SMILES COC[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(Oc2cc(OC)ccn2)c(F)cc1F
Show InChI InChI=1S/C22H24F2N4O5/c1-28-20(29)15-6-13(10-30-2)32-11-22(15,27-21(28)25)14-8-18(17(24)9-16(14)23)33-19-7-12(31-3)4-5-26-19/h4-5,7-9,13,15H,6,10-11H2,1-3H3,(H2,25,27)/t13-,15+,22-/m1/s1
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20n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-2


(Homo sapiens (Human))
BDBM228053
PNG
(US10047098, 81)
Show SMILES C[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(Oc2cccnc2)ccc1F
Show InChI InChI=1S/C20H21FN4O3/c1-12-8-16-18(26)25(2)19(22)24-20(16,11-27-12)15-9-13(5-6-17(15)21)28-14-4-3-7-23-10-14/h3-7,9-10,12,16H,8,11H2,1-2H3,(H2,22,24)/t12-,16-,20+/m0/s1
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20.7n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-1


(Homo sapiens (Human))
BDBM228028
PNG
(US10047098, 54)
Show SMILES CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C1CC1)c1cc(OCC23CC(C2)C3)ccc1F
Show InChI InChI=1S/C23H28FN3O3/c1-27-20(28)17-7-19(14-2-3-14)30-12-23(17,26-21(27)25)16-6-15(4-5-18(16)24)29-11-22-8-13(9-22)10-22/h4-6,13-14,17,19H,2-3,7-12H2,1H3,(H2,25,26)/t13?,17-,19+,22?,23+/m0/s1
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21n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-1


(Homo sapiens (Human))
BDBM228002
PNG
(US10047098, 32 | US10047098, 90)
Show SMILES COC[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(OCC2CC2)ccc1F
Show InChI InChI=1S/C20H26FN3O4/c1-24-18(25)16-8-14(10-26-2)28-11-20(16,23-19(24)22)15-7-13(5-6-17(15)21)27-9-12-3-4-12/h5-7,12,14,16H,3-4,8-11H2,1-2H3,(H2,22,23)/t14-,16+,20-/m1/s1
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21n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-1


(Homo sapiens (Human))
BDBM228002
PNG
(US10047098, 32 | US10047098, 90)
Show SMILES COC[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(OCC2CC2)ccc1F
Show InChI InChI=1S/C20H26FN3O4/c1-24-18(25)16-8-14(10-26-2)28-11-20(16,23-19(24)22)15-7-13(5-6-17(15)21)27-9-12-3-4-12/h5-7,12,14,16H,3-4,8-11H2,1-2H3,(H2,22,23)/t14-,16+,20-/m1/s1
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21n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-2


(Homo sapiens (Human))
BDBM228052
PNG
(US10047098, 80)
Show SMILES C[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(Oc2cc(F)cnc2F)ccc1F
Show InChI InChI=1S/C20H19F3N4O3/c1-10-5-14-18(28)27(2)19(24)26-20(14,9-29-10)13-7-12(3-4-15(13)22)30-16-6-11(21)8-25-17(16)23/h3-4,6-8,10,14H,5,9H2,1-2H3,(H2,24,26)/t10-,14-,20+/m0/s1
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22.3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-2


(Homo sapiens (Human))
BDBM227981
PNG
(US10047098, 13)
Show SMILES CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C1CC1)c1cc(Oc2cc(ncn2)-n2cccn2)ccc1F
Show InChI InChI=1S/C24H24FN7O3/c1-31-22(33)17-10-19(14-3-4-14)34-12-24(17,30-23(31)26)16-9-15(5-6-18(16)25)35-21-11-20(27-13-28-21)32-8-2-7-29-32/h2,5-9,11,13-14,17,19H,3-4,10,12H2,1H3,(H2,26,30)/t17-,19+,24+/m0/s1
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23n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-2


(Homo sapiens (Human))
BDBM228047
PNG
(US10047098, 75)
Show SMILES C[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(Oc2cnccc2Cl)ccc1F
Show InChI InChI=1S/C20H20ClFN4O3/c1-11-7-14-18(27)26(2)19(23)25-20(14,10-28-11)13-8-12(3-4-16(13)22)29-17-9-24-6-5-15(17)21/h3-6,8-9,11,14H,7,10H2,1-2H3,(H2,23,25)/t11-,14-,20+/m0/s1
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23.3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-2


(Homo sapiens (Human))
BDBM228054
PNG
(US10047098, 82)
Show SMILES C[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(Oc2cc(F)ccc2F)ccc1F
Show InChI InChI=1S/C21H20F3N3O3/c1-11-7-15-19(28)27(2)20(25)26-21(15,10-29-11)14-9-13(4-6-16(14)23)30-18-8-12(22)3-5-17(18)24/h3-6,8-9,11,15H,7,10H2,1-2H3,(H2,25,26)/t11-,15-,21+/m0/s1
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23.5n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-2


(Homo sapiens (Human))
BDBM228008
PNG
(US10047098, 36 | US10047098, 79)
Show SMILES C[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(Oc2ncc(F)cc2F)ccc1F
Show InChI InChI=1S/C20H19F3N4O3/c1-10-5-14-18(28)27(2)19(24)26-20(14,9-29-10)13-7-12(3-4-15(13)22)30-17-16(23)6-11(21)8-25-17/h3-4,6-8,10,14H,5,9H2,1-2H3,(H2,24,26)/t10-,14-,20+/m0/s1
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24n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-2


(Homo sapiens (Human))
BDBM228055
PNG
(US10047098, 83)
Show SMILES CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)c1ccc(F)cc1)c1cc(Br)ccc1F
Show InChI InChI=1S/C20H18BrF2N3O2/c1-26-18(27)15-9-17(11-2-5-13(22)6-3-11)28-10-20(15,25-19(26)24)14-8-12(21)4-7-16(14)23/h2-8,15,17H,9-10H2,1H3,(H2,24,25)/t15-,17+,20+/m0/s1
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24.2n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-2


(Homo sapiens (Human))
BDBM228000
PNG
(US10047098, 30)
Show SMILES COC[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(Oc2cc(ccn2)C#N)ccc1F
Show InChI InChI=1S/C22H22FN5O4/c1-28-20(29)17-9-15(11-30-2)31-12-22(17,27-21(28)25)16-8-14(3-4-18(16)23)32-19-7-13(10-24)5-6-26-19/h3-8,15,17H,9,11-12H2,1-2H3,(H2,25,27)/t15-,17+,22-/m1/s1
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25n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-2


(Homo sapiens (Human))
BDBM228019
PNG
(US10047098, 45)
Show SMILES CC(C)COc1ccc(F)c(c1)[C@]12CO[C@H](C[C@H]1C(=O)N(C)C(=N)N2)C1CC1
Show InChI InChI=1S/C21H28FN3O3/c1-12(2)10-27-14-6-7-17(22)15(8-14)21-11-28-18(13-4-5-13)9-16(21)19(26)25(3)20(23)24-21/h6-8,12-13,16,18H,4-5,9-11H2,1-3H3,(H2,23,24)/t16-,18+,21+/m0/s1
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25n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-2


(Homo sapiens (Human))
BDBM228039
PNG
(US10047098, 67)
Show SMILES C[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(Oc2cncc(C)n2)ccc1F
Show InChI InChI=1S/C20H22FN5O3/c1-11-8-23-9-17(24-11)29-13-4-5-16(21)14(7-13)20-10-28-12(2)6-15(20)18(27)26(3)19(22)25-20/h4-5,7-9,12,15H,6,10H2,1-3H3,(H2,22,25)/t12-,15-,20+/m0/s1
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25.2n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-1


(Homo sapiens (Human))
BDBM228053
PNG
(US10047098, 81)
Show SMILES C[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(Oc2cccnc2)ccc1F
Show InChI InChI=1S/C20H21FN4O3/c1-12-8-16-18(26)25(2)19(22)24-20(16,11-27-12)15-9-13(5-6-17(15)21)28-14-4-3-7-23-10-14/h3-7,9-10,12,16H,8,11H2,1-2H3,(H2,22,24)/t12-,16-,20+/m0/s1
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26.8n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-1


(Homo sapiens (Human))
BDBM228059
PNG
(US10047098, 87)
Show SMILES CN1C(=N)N[C@]2(COCC[C@H]2C1=O)c1cc(Oc2ncccc2F)ccc1F
Show InChI InChI=1S/C19H18F2N4O3/c1-25-17(26)12-6-8-27-10-19(12,24-18(25)22)13-9-11(4-5-14(13)20)28-16-15(21)3-2-7-23-16/h2-5,7,9,12H,6,8,10H2,1H3,(H2,22,24)/t12-,19-/m0/s1
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27n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-1


(Homo sapiens (Human))
BDBM227994
PNG
(US10047098, 25)
Show SMILES CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C1CC1)c1cc(Oc2cccc(c2)C#N)ccc1F
Show InChI InChI=1S/C24H23FN4O3/c1-29-22(30)19-11-21(15-5-6-15)31-13-24(19,28-23(29)27)18-10-17(7-8-20(18)25)32-16-4-2-3-14(9-16)12-26/h2-4,7-10,15,19,21H,5-6,11,13H2,1H3,(H2,27,28)/t19-,21+,24+/m0/s1
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27n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-1


(Homo sapiens (Human))
BDBM228017
PNG
(US10047098, 44)
Show SMILES CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C1CC1)c1cc(OCC2CCC2)ccc1F
Show InChI InChI=1S/C22H28FN3O3/c1-26-20(27)17-10-19(14-5-6-14)29-12-22(17,25-21(26)24)16-9-15(7-8-18(16)23)28-11-13-3-2-4-13/h7-9,13-14,17,19H,2-6,10-12H2,1H3,(H2,24,25)/t17-,19+,22+/m0/s1
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30n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-2


(Homo sapiens (Human))
BDBM228038
PNG
(US10047098, 66)
Show SMILES C[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(Oc2cnccn2)ccc1F
Show InChI InChI=1S/C19H20FN5O3/c1-11-7-14-17(26)25(2)18(21)24-19(14,10-27-11)13-8-12(3-4-15(13)20)28-16-9-22-5-6-23-16/h3-6,8-9,11,14H,7,10H2,1-2H3,(H2,21,24)/t11-,14-,19+/m0/s1
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30.3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-1


(Homo sapiens (Human))
BDBM228026
PNG
(US10047098, 52)
Show SMILES CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C1CC1)c1cc(OCC2CC2(F)F)ccc1F
Show InChI InChI=1S/C21H24F3N3O3/c1-27-18(28)15-7-17(11-2-3-11)30-10-20(15,26-19(27)25)14-6-13(4-5-16(14)22)29-9-12-8-21(12,23)24/h4-6,11-12,15,17H,2-3,7-10H2,1H3,(H2,25,26)/t12?,15-,17+,20+/m0/s1
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31n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-2


(Homo sapiens (Human))
BDBM228068
PNG
(US10047098, 96)
Show SMILES C[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(Oc2ncccc2F)ncc1F
Show InChI InChI=1S/C19H19F2N5O3/c1-10-6-12-17(27)26(2)18(22)25-19(12,9-28-10)11-7-15(24-8-14(11)21)29-16-13(20)4-3-5-23-16/h3-5,7-8,10,12H,6,9H2,1-2H3,(H2,22,25)/t10-,12-,19+/m0/s1
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31.3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-2


(Homo sapiens (Human))
BDBM228046
PNG
(US10047098, 74)
Show SMILES C[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(Oc2ccncc2F)ccc1F
Show InChI InChI=1S/C20H20F2N4O3/c1-11-7-14-18(27)26(2)19(23)25-20(14,10-28-11)13-8-12(3-4-15(13)21)29-17-5-6-24-9-16(17)22/h3-6,8-9,11,14H,7,10H2,1-2H3,(H2,23,25)/t11-,14-,20+/m0/s1
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31.5n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-1


(Homo sapiens (Human))
BDBM228048
PNG
(US10047098, 76)
Show SMILES C[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(Oc2ccccn2)ccc1F
Show InChI InChI=1S/C20H21FN4O3/c1-12-9-15-18(26)25(2)19(22)24-20(15,11-27-12)14-10-13(6-7-16(14)21)28-17-5-3-4-8-23-17/h3-8,10,12,15H,9,11H2,1-2H3,(H2,22,24)/t12-,15-,20+/m0/s1
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31.7n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-2


(Homo sapiens (Human))
BDBM228045
PNG
(US10047098, 73)
Show SMILES C[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(Oc2ncccc2C)ccc1F
Show InChI InChI=1S/C21H23FN4O3/c1-12-5-4-8-24-18(12)29-14-6-7-17(22)15(10-14)21-11-28-13(2)9-16(21)19(27)26(3)20(23)25-21/h4-8,10,13,16H,9,11H2,1-3H3,(H2,23,25)/t13-,16-,21+/m0/s1
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32.3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-2


(Homo sapiens (Human))
BDBM228050
PNG
(US10047098, 78)
Show SMILES C[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(Oc2cncc(F)c2)ccc1F
Show InChI InChI=1S/C20H20F2N4O3/c1-11-5-16-18(27)26(2)19(23)25-20(16,10-28-11)15-7-13(3-4-17(15)22)29-14-6-12(21)8-24-9-14/h3-4,6-9,11,16H,5,10H2,1-2H3,(H2,23,25)/t11-,16-,20+/m0/s1
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32.9n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-2


(Homo sapiens (Human))
BDBM227976
PNG
(US10047098, 8)
Show SMILES CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)c1cc(C)no1)c1cc(F)ccc1F
Show InChI InChI=1S/C18H18F2N4O3/c1-9-5-15(27-23-9)14-7-12-16(25)24(2)17(21)22-18(12,8-26-14)11-6-10(19)3-4-13(11)20/h3-6,12,14H,7-8H2,1-2H3,(H2,21,22)/t12-,14+,18+/m0/s1
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34n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-2


(Homo sapiens (Human))
BDBM228032
PNG
(US10047098, 58)
Show SMILES CN1C(=N)N[C@]2(CO[C@H](CC2C1=O)C1CC1)c1cc(Oc2ncncc2F)ccc1F
Show InChI InChI=1S/C21H21F2N5O3/c1-28-19(29)14-7-17(11-2-3-11)30-9-21(14,27-20(28)24)13-6-12(4-5-15(13)22)31-18-16(23)8-25-10-26-18/h4-6,8,10-11,14,17H,2-3,7,9H2,1H3,(H2,24,27)/t14?,17-,21-/m1/s1
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35n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-1


(Homo sapiens (Human))
BDBM228044
PNG
(US10047098, 72)
Show SMILES C[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(Oc2ncccc2Cl)ccc1F
Show InChI InChI=1S/C20H20ClFN4O3/c1-11-8-14-18(27)26(2)19(23)25-20(14,10-28-11)13-9-12(5-6-16(13)22)29-17-15(21)4-3-7-24-17/h3-7,9,11,14H,8,10H2,1-2H3,(H2,23,25)/t11-,14-,20+/m0/s1
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37.6n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-1


(Homo sapiens (Human))
BDBM228043
PNG
(US10047098, 71)
Show SMILES COc1ccnc(Oc2ccc(F)c(c2)[C@]23CO[C@@H](C)C[C@H]2C(=O)N(C)C(=N)N3)c1
Show InChI InChI=1S/C21H23FN4O4/c1-12-8-16-19(27)26(2)20(23)25-21(16,11-29-12)15-9-14(4-5-17(15)22)30-18-10-13(28-3)6-7-24-18/h4-7,9-10,12,16H,8,11H2,1-3H3,(H2,23,25)/t12-,16-,21+/m0/s1
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39.9n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-1


(Homo sapiens (Human))
BDBM228020
PNG
(US10047098, 46)
Show SMILES CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C1CC1)c1cc(OCC(F)F)ccc1F
Show InChI InChI=1S/C19H22F3N3O3/c1-25-17(26)13-7-15(10-2-3-10)28-9-19(13,24-18(25)23)12-6-11(4-5-14(12)20)27-8-16(21)22/h4-6,10,13,15-16H,2-3,7-9H2,1H3,(H2,23,24)/t13-,15+,19+/m0/s1
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40n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-2


(Homo sapiens (Human))
BDBM228020
PNG
(US10047098, 46)
Show SMILES CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C1CC1)c1cc(OCC(F)F)ccc1F
Show InChI InChI=1S/C19H22F3N3O3/c1-25-17(26)13-7-15(10-2-3-10)28-9-19(13,24-18(25)23)12-6-11(4-5-14(12)20)27-8-16(21)22/h4-6,10,13,15-16H,2-3,7-9H2,1H3,(H2,23,24)/t13-,15+,19+/m0/s1
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41n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-1


(Homo sapiens (Human))
BDBM228035
PNG
(US10047098, 61)
Show SMILES CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C(F)F)c1cc(Oc2ncc(F)cc2F)ccc1F
Show InChI InChI=1S/C20H17F5N4O3/c1-29-18(30)12-6-15(16(24)25)31-8-20(12,28-19(29)26)11-5-10(2-3-13(11)22)32-17-14(23)4-9(21)7-27-17/h2-5,7,12,15-16H,6,8H2,1H3,(H2,26,28)/t12-,15+,20+/m0/s1
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41n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-2


(Homo sapiens (Human))
BDBM228031
PNG
(US10047098, 57)
Show SMILES CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C1CC1)c1cc(OC2CC(F)(F)C2)ccc1F
Show InChI InChI=1S/C21H24F3N3O3/c1-27-18(28)15-7-17(11-2-3-11)29-10-21(15,26-19(27)25)14-6-12(4-5-16(14)22)30-13-8-20(23,24)9-13/h4-6,11,13,15,17H,2-3,7-10H2,1H3,(H2,25,26)/t15-,17+,21+/m0/s1
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41n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-2


(Homo sapiens (Human))
BDBM228008
PNG
(US10047098, 36 | US10047098, 79)
Show SMILES C[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(Oc2ncc(F)cc2F)ccc1F
Show InChI InChI=1S/C20H19F3N4O3/c1-10-5-14-18(28)27(2)19(24)26-20(14,9-29-10)13-7-12(3-4-15(13)22)30-17-16(23)6-11(21)8-25-17/h3-4,6-8,10,14H,5,9H2,1-2H3,(H2,24,26)/t10-,14-,20+/m0/s1
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41.3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-2


(Homo sapiens (Human))
BDBM227984
PNG
(US10047098, 16)
Show SMILES CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C1CC1)c1cc(Oc2ccnc(c2)-n2cncn2)ccc1F
Show InChI InChI=1S/C24H24FN7O3/c1-31-22(33)18-10-20(14-2-3-14)34-11-24(18,30-23(31)26)17-8-15(4-5-19(17)25)35-16-6-7-28-21(9-16)32-13-27-12-29-32/h4-9,12-14,18,20H,2-3,10-11H2,1H3,(H2,26,30)/t18-,20+,24+/m0/s1
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42n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-2


(Homo sapiens (Human))
BDBM228025
PNG
(US10047098, 51)
Show SMILES CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C1CC1)c1cc(OCC2CC(F)(F)C2)ccc1F
Show InChI InChI=1S/C22H26F3N3O3/c1-28-19(29)16-7-18(13-2-3-13)31-11-22(16,27-20(28)26)15-6-14(4-5-17(15)23)30-10-12-8-21(24,25)9-12/h4-6,12-13,16,18H,2-3,7-11H2,1H3,(H2,26,27)/t16-,18+,22+/m0/s1
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42n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-1


(Homo sapiens (Human))
BDBM228031
PNG
(US10047098, 57)
Show SMILES CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C1CC1)c1cc(OC2CC(F)(F)C2)ccc1F
Show InChI InChI=1S/C21H24F3N3O3/c1-27-18(28)15-7-17(11-2-3-11)29-10-21(15,26-19(27)25)14-6-12(4-5-16(14)22)30-13-8-20(23,24)9-13/h4-6,11,13,15,17H,2-3,7-10H2,1H3,(H2,25,26)/t15-,17+,21+/m0/s1
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43n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-1


(Homo sapiens (Human))
BDBM227984
PNG
(US10047098, 16)
Show SMILES CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C1CC1)c1cc(Oc2ccnc(c2)-n2cncn2)ccc1F
Show InChI InChI=1S/C24H24FN7O3/c1-31-22(33)18-10-20(14-2-3-14)34-11-24(18,30-23(31)26)17-8-15(4-5-19(17)25)35-16-6-7-28-21(9-16)32-13-27-12-29-32/h4-9,12-14,18,20H,2-3,10-11H2,1H3,(H2,26,30)/t18-,20+,24+/m0/s1
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43n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-1


(Homo sapiens (Human))
BDBM228008
PNG
(US10047098, 36 | US10047098, 79)
Show SMILES C[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(Oc2ncc(F)cc2F)ccc1F
Show InChI InChI=1S/C20H19F3N4O3/c1-10-5-14-18(28)27(2)19(24)26-20(14,9-29-10)13-7-12(3-4-15(13)22)30-17-16(23)6-11(21)8-25-17/h3-4,6-8,10,14H,5,9H2,1-2H3,(H2,24,26)/t10-,14-,20+/m0/s1
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43.5n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-1


(Homo sapiens (Human))
BDBM228060
PNG
(US10047098, 88)
Show SMILES CN1C(=N)N[C@]2(COCC[C@H]2C1=O)c1cc(OCC2CC2)ccc1F
Show InChI InChI=1S/C18H22FN3O3/c1-22-16(23)13-6-7-24-10-18(13,21-17(22)20)14-8-12(4-5-15(14)19)25-9-11-2-3-11/h4-5,8,11,13H,2-3,6-7,9-10H2,1H3,(H2,20,21)/t13-,18-/m0/s1
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44n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-2


(Homo sapiens (Human))
BDBM228035
PNG
(US10047098, 61)
Show SMILES CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C(F)F)c1cc(Oc2ncc(F)cc2F)ccc1F
Show InChI InChI=1S/C20H17F5N4O3/c1-29-18(30)12-6-15(16(24)25)31-8-20(12,28-19(29)26)11-5-10(2-3-13(11)22)32-17-14(23)4-9(21)7-27-17/h2-5,7,12,15-16H,6,8H2,1H3,(H2,26,28)/t12-,15+,20+/m0/s1
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44n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-1


(Homo sapiens (Human))
BDBM228046
PNG
(US10047098, 74)
Show SMILES C[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(Oc2ccncc2F)ccc1F
Show InChI InChI=1S/C20H20F2N4O3/c1-11-7-14-18(27)26(2)19(23)25-20(14,10-28-11)13-8-12(3-4-15(13)21)29-17-5-6-24-9-16(17)22/h3-6,8-9,11,14H,7,10H2,1-2H3,(H2,23,25)/t11-,14-,20+/m0/s1
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44.3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-1


(Homo sapiens (Human))
BDBM228019
PNG
(US10047098, 45)
Show SMILES CC(C)COc1ccc(F)c(c1)[C@]12CO[C@H](C[C@H]1C(=O)N(C)C(=N)N2)C1CC1
Show InChI InChI=1S/C21H28FN3O3/c1-12(2)10-27-14-6-7-17(22)15(8-14)21-11-28-18(13-4-5-13)9-16(21)19(26)25(3)20(23)24-21/h6-8,12-13,16,18H,4-5,9-11H2,1-3H3,(H2,23,24)/t16-,18+,21+/m0/s1
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45n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-1


(Homo sapiens (Human))
BDBM228054
PNG
(US10047098, 82)
Show SMILES C[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(Oc2cc(F)ccc2F)ccc1F
Show InChI InChI=1S/C21H20F3N3O3/c1-11-7-15-19(28)27(2)20(25)26-21(15,10-29-11)14-9-13(4-6-16(14)23)30-18-8-12(22)3-5-17(18)24/h3-6,8-9,11,15H,7,10H2,1-2H3,(H2,25,26)/t11-,15-,21+/m0/s1
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45.7n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-2


(Homo sapiens (Human))
BDBM227994
PNG
(US10047098, 25)
Show SMILES CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C1CC1)c1cc(Oc2cccc(c2)C#N)ccc1F
Show InChI InChI=1S/C24H23FN4O3/c1-29-22(30)19-11-21(15-5-6-15)31-13-24(19,28-23(29)27)18-10-17(7-8-20(18)25)32-16-4-2-3-14(9-16)12-26/h2-4,7-10,15,19,21H,5-6,11,13H2,1H3,(H2,27,28)/t19-,21+,24+/m0/s1
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46n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-2


(Homo sapiens (Human))
BDBM228014
PNG
(US10047098, 42)
Show SMILES COc1cncc(Oc2ccc(F)c(c2)[C@]23CO[C@H](C[C@H]2C(=O)N(C)C(=N)N3)C2CC2)n1
Show InChI InChI=1S/C22H24FN5O4/c1-28-20(29)15-8-17(12-3-4-12)31-11-22(15,27-21(28)24)14-7-13(5-6-16(14)23)32-19-10-25-9-18(26-19)30-2/h5-7,9-10,12,15,17H,3-4,8,11H2,1-2H3,(H2,24,27)/t15-,17+,22+/m0/s1
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51n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-2


(Homo sapiens (Human))
BDBM227996
PNG
(US10047098, 27)
Show SMILES CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C1CC1)c1cc(Oc2cncc(c2)C#N)ccc1F
Show InChI InChI=1S/C23H22FN5O3/c1-29-21(30)18-8-20(14-2-3-14)31-12-23(18,28-22(29)26)17-7-15(4-5-19(17)24)32-16-6-13(9-25)10-27-11-16/h4-7,10-11,14,18,20H,2-3,8,12H2,1H3,(H2,26,28)/t18-,20+,23+/m0/s1
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51n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-2


(Homo sapiens (Human))
BDBM228030
PNG
(US10047098, 56)
Show SMILES CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C1CC1)c1cc(Oc2cc(ccn2)-n2cccn2)ccc1F
Show InChI InChI=1S/C25H25FN6O3/c1-31-23(33)19-13-21(15-3-4-15)34-14-25(19,30-24(31)27)18-12-17(5-6-20(18)26)35-22-11-16(7-9-28-22)32-10-2-8-29-32/h2,5-12,15,19,21H,3-4,13-14H2,1H3,(H2,27,30)/t19-,21+,25+/m0/s1
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51n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-1


(Homo sapiens (Human))
BDBM228015
PNG
(US10047098, 43)
Show SMILES CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C1CC1)c1cc(Oc2ncccn2)ccc1F
Show InChI InChI=1S/C21H22FN5O3/c1-27-18(28)15-10-17(12-3-4-12)29-11-21(15,26-19(27)23)14-9-13(5-6-16(14)22)30-20-24-7-2-8-25-20/h2,5-9,12,15,17H,3-4,10-11H2,1H3,(H2,23,26)/t15-,17+,21+/m0/s1
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52n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-1


(Homo sapiens (Human))
BDBM227981
PNG
(US10047098, 13)
Show SMILES CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C1CC1)c1cc(Oc2cc(ncn2)-n2cccn2)ccc1F
Show InChI InChI=1S/C24H24FN7O3/c1-31-22(33)17-10-19(14-3-4-14)34-12-24(17,30-23(31)26)16-9-15(5-6-18(16)25)35-21-11-20(27-13-28-21)32-8-2-7-29-32/h2,5-9,11,13-14,17,19H,3-4,10,12H2,1H3,(H2,26,30)/t17-,19+,24+/m0/s1
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52n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-2


(Homo sapiens (Human))
BDBM227999
PNG
(US10047098, 29)
Show SMILES CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C1CC1)c1cc(Oc2cncc(n2)C(F)F)ccc1F
Show InChI InChI=1S/C22H22F3N5O3/c1-30-20(31)14-7-17(11-2-3-11)32-10-22(14,29-21(30)26)13-6-12(4-5-15(13)23)33-18-9-27-8-16(28-18)19(24)25/h4-6,8-9,11,14,17,19H,2-3,7,10H2,1H3,(H2,26,29)/t14-,17+,22+/m0/s1
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54n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-1


(Homo sapiens (Human))
BDBM228012
PNG
(US10047098, 40)
Show SMILES CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C1CC1)c1cc(Oc2ccncc2)ccc1F
Show InChI InChI=1S/C22H23FN4O3/c1-27-20(28)17-11-19(13-2-3-13)29-12-22(17,26-21(27)24)16-10-15(4-5-18(16)23)30-14-6-8-25-9-7-14/h4-10,13,17,19H,2-3,11-12H2,1H3,(H2,24,26)/t17-,19+,22+/m0/s1
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54n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-1


(Homo sapiens (Human))
BDBM228025
PNG
(US10047098, 51)
Show SMILES CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C1CC1)c1cc(OCC2CC(F)(F)C2)ccc1F
Show InChI InChI=1S/C22H26F3N3O3/c1-28-19(29)16-7-18(13-2-3-13)31-11-22(16,27-20(28)26)15-6-14(4-5-17(15)23)30-10-12-8-21(24,25)9-12/h4-6,12-13,16,18H,2-3,7-11H2,1H3,(H2,26,27)/t16-,18+,22+/m0/s1
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55n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-1


(Homo sapiens (Human))
BDBM227990
PNG
(US10047098, 22)
Show SMILES CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C1CC1)c1cc(Oc2ccnc(C)n2)ccc1F
Show InChI InChI=1S/C22H24FN5O3/c1-12-25-8-7-19(26-12)31-14-5-6-17(23)15(9-14)22-11-30-18(13-3-4-13)10-16(22)20(29)28(2)21(24)27-22/h5-9,13,16,18H,3-4,10-11H2,1-2H3,(H2,24,27)/t16-,18+,22+/m0/s1
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57n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-1


(Homo sapiens (Human))
BDBM228047
PNG
(US10047098, 75)
Show SMILES C[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(Oc2cnccc2Cl)ccc1F
Show InChI InChI=1S/C20H20ClFN4O3/c1-11-7-14-18(27)26(2)19(23)25-20(14,10-28-11)13-8-12(3-4-16(13)22)29-17-9-24-6-5-15(17)21/h3-6,8-9,11,14H,7,10H2,1-2H3,(H2,23,25)/t11-,14-,20+/m0/s1
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58.2n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-1


(Homo sapiens (Human))
BDBM227988
PNG
(US10047098, 20)
Show SMILES CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C1CC1)c1cc(Oc2ccnc(c2)C(F)F)ccc1F
Show InChI InChI=1S/C23H23F3N4O3/c1-30-21(31)16-10-19(12-2-3-12)32-11-23(16,29-22(30)27)15-8-13(4-5-17(15)24)33-14-6-7-28-18(9-14)20(25)26/h4-9,12,16,19-20H,2-3,10-11H2,1H3,(H2,27,29)/t16-,19+,23+/m0/s1
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60n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-1


(Homo sapiens (Human))
BDBM228055
PNG
(US10047098, 83)
Show SMILES CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)c1ccc(F)cc1)c1cc(Br)ccc1F
Show InChI InChI=1S/C20H18BrF2N3O2/c1-26-18(27)15-9-17(11-2-5-13(22)6-3-11)28-10-20(15,25-19(26)24)14-8-12(21)4-7-16(14)23/h2-8,15,17H,9-10H2,1H3,(H2,24,25)/t15-,17+,20+/m0/s1
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60.5n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-2


(Homo sapiens (Human))
BDBM227971
PNG
(US10047098, 4)
Show SMILES COC[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(Oc2cc(OC)ccn2)c(F)cc1F
Show InChI InChI=1S/C22H24F2N4O5/c1-28-20(29)15-6-13(10-30-2)32-11-22(15,27-21(28)25)14-8-18(17(24)9-16(14)23)33-19-7-12(31-3)4-5-26-19/h4-5,7-9,13,15H,6,10-11H2,1-3H3,(H2,25,27)/t13-,15+,22-/m1/s1
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61n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-2


(Homo sapiens (Human))
BDBM228023
PNG
(US10047098, 49)
Show SMILES CCCOc1ccc(F)c(c1)[C@]12CO[C@H](C[C@H]1C(=O)N(C)C(=N)N2)C1CC1
Show InChI InChI=1S/C20H26FN3O3/c1-3-8-26-13-6-7-16(21)14(9-13)20-11-27-17(12-4-5-12)10-15(20)18(25)24(2)19(22)23-20/h6-7,9,12,15,17H,3-5,8,10-11H2,1-2H3,(H2,22,23)/t15-,17+,20+/m0/s1
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64n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-2


(Homo sapiens (Human))
BDBM228013
PNG
(US10047098, 41)
Show SMILES CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C1CC1)c1cc(Oc2ccnnc2)ccc1F
Show InChI InChI=1S/C21H22FN5O3/c1-27-19(28)16-9-18(12-2-3-12)29-11-21(16,26-20(27)23)15-8-13(4-5-17(15)22)30-14-6-7-24-25-10-14/h4-8,10,12,16,18H,2-3,9,11H2,1H3,(H2,23,26)/t16-,18+,21+/m0/s1
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65n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-1


(Homo sapiens (Human))
BDBM228023
PNG
(US10047098, 49)
Show SMILES CCCOc1ccc(F)c(c1)[C@]12CO[C@H](C[C@H]1C(=O)N(C)C(=N)N2)C1CC1
Show InChI InChI=1S/C20H26FN3O3/c1-3-8-26-13-6-7-16(21)14(9-13)20-11-27-17(12-4-5-12)10-15(20)18(25)24(2)19(22)23-20/h6-7,9,12,15,17H,3-5,8,10-11H2,1-2H3,(H2,22,23)/t15-,17+,20+/m0/s1
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66n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-1


(Homo sapiens (Human))
BDBM227972
PNG
(US10047098, 5)
Show SMILES COC[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(OCC2CC2)c(F)cc1F
Show InChI InChI=1S/C20H25F2N3O4/c1-25-18(26)14-5-12(9-27-2)29-10-20(14,24-19(25)23)13-6-17(16(22)7-15(13)21)28-8-11-3-4-11/h6-7,11-12,14H,3-5,8-10H2,1-2H3,(H2,23,24)/t12-,14+,20-/m1/s1
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68n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-2


(Homo sapiens (Human))
BDBM228024
PNG
(US10047098, 50)
Show SMILES COCCOc1ccc(F)c(c1)[C@]12CO[C@H](C[C@H]1C(=O)N(C)C(=N)N2)C1CC1
Show InChI InChI=1S/C20H26FN3O4/c1-24-18(25)15-10-17(12-3-4-12)28-11-20(15,23-19(24)22)14-9-13(5-6-16(14)21)27-8-7-26-2/h5-6,9,12,15,17H,3-4,7-8,10-11H2,1-2H3,(H2,22,23)/t15-,17+,20+/m0/s1
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68n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-1


(Homo sapiens (Human))
BDBM228056
PNG
(US10047098, 84)
Show SMILES CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)c1ccc(F)cc1)c1cc(O)ccc1F
Show InChI InChI=1S/C20H19F2N3O3/c1-25-18(27)15-9-17(11-2-4-12(21)5-3-11)28-10-20(15,24-19(25)23)14-8-13(26)6-7-16(14)22/h2-8,15,17,26H,9-10H2,1H3,(H2,23,24)/t15-,17+,20+/m0/s1
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70n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-2


(Homo sapiens (Human))
BDBM228040
PNG
(US10047098, 68)
Show SMILES C[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(Oc2ccc(F)cn2)ccc1F
Show InChI InChI=1S/C20H20F2N4O3/c1-11-7-15-18(27)26(2)19(23)25-20(15,10-28-11)14-8-13(4-5-16(14)22)29-17-6-3-12(21)9-24-17/h3-6,8-9,11,15H,7,10H2,1-2H3,(H2,23,25)/t11-,15-,20+/m0/s1
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71.3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-2


(Homo sapiens (Human))
BDBM228011
PNG
(US10047098, 39)
Show SMILES CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C1CC1)c1cc(Oc2cnccn2)ccc1F
Show InChI InChI=1S/C21H22FN5O3/c1-27-19(28)15-9-17(12-2-3-12)29-11-21(15,26-20(27)23)14-8-13(4-5-16(14)22)30-18-10-24-6-7-25-18/h4-8,10,12,15,17H,2-3,9,11H2,1H3,(H2,23,26)/t15-,17+,21+/m0/s1
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73n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-2


(Homo sapiens (Human))
BDBM227972
PNG
(US10047098, 5)
Show SMILES COC[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(OCC2CC2)c(F)cc1F
Show InChI InChI=1S/C20H25F2N3O4/c1-25-18(26)14-5-12(9-27-2)29-10-20(14,24-19(25)23)13-6-17(16(22)7-15(13)21)28-8-11-3-4-11/h6-7,11-12,14H,3-5,8-10H2,1-2H3,(H2,23,24)/t12-,14+,20-/m1/s1
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82n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-2


(Homo sapiens (Human))
BDBM228036
PNG
(US10047098, 64)
Show SMILES C[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(O)ccc1F
Show InChI InChI=1S/C15H18FN3O3/c1-8-5-11-13(21)19(2)14(17)18-15(11,7-22-8)10-6-9(20)3-4-12(10)16/h3-4,6,8,11,20H,5,7H2,1-2H3,(H2,17,18)/t8-,11-,15+/m0/s1
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82.7n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-2


(Homo sapiens (Human))
BDBM228007
PNG
(US10047098, 35)
Show SMILES CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C1CC1)c1cc(Oc2cccc(c2)-c2cocn2)ccc1F
Show InChI InChI=1S/C26H25FN4O4/c1-31-24(32)20-11-23(15-5-6-15)34-13-26(20,30-25(31)28)19-10-18(7-8-21(19)27)35-17-4-2-3-16(9-17)22-12-33-14-29-22/h2-4,7-10,12,14-15,20,23H,5-6,11,13H2,1H3,(H2,28,30)/t20-,23+,26+/m0/s1
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86n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-1


(Homo sapiens (Human))
BDBM228024
PNG
(US10047098, 50)
Show SMILES COCCOc1ccc(F)c(c1)[C@]12CO[C@H](C[C@H]1C(=O)N(C)C(=N)N2)C1CC1
Show InChI InChI=1S/C20H26FN3O4/c1-24-18(25)15-10-17(12-3-4-12)28-11-20(15,23-19(24)22)14-9-13(5-6-16(14)21)27-8-7-26-2/h5-6,9,12,15,17H,3-4,7-8,10-11H2,1-2H3,(H2,22,23)/t15-,17+,20+/m0/s1
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92n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-2


(Homo sapiens (Human))
BDBM227995
PNG
(US10047098, 26)
Show SMILES C[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(OCC23CC(C2)(C3)C#N)ccc1F
Show InChI InChI=1S/C22H25FN4O3/c1-13-5-16-18(28)27(2)19(25)26-22(16,12-29-13)15-6-14(3-4-17(15)23)30-11-21-7-20(8-21,9-21)10-24/h3-4,6,13,16H,5,7-9,11-12H2,1-2H3,(H2,25,26)/t13-,16-,20?,21?,22+/m0/s1
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98n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-1


(Homo sapiens (Human))
BDBM227974
PNG
(US10047098, 6)
Show SMILES CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C1CC1)c1ccc(F)cc1F
Show InChI InChI=1S/C17H19F2N3O2/c1-22-15(23)12-7-14(9-2-3-9)24-8-17(12,21-16(22)20)11-5-4-10(18)6-13(11)19/h4-6,9,12,14H,2-3,7-8H2,1H3,(H2,20,21)/t12-,14+,17+/m0/s1
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99n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-2


(Homo sapiens (Human))
BDBM227985
PNG
(US10047098, 17)
Show SMILES CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C1CC1)c1cc(Oc2cncc(C)n2)ccc1F
Show InChI InChI=1S/C22H24FN5O3/c1-12-9-25-10-19(26-12)31-14-5-6-17(23)15(7-14)22-11-30-18(13-3-4-13)8-16(22)20(29)28(2)21(24)27-22/h5-7,9-10,13,16,18H,3-4,8,11H2,1-2H3,(H2,24,27)/t16-,18+,22+/m0/s1
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102n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-2


(Homo sapiens (Human))
BDBM227979
PNG
(US10047098, 11)
Show SMILES C[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1ccc(F)cc1F
Show InChI InChI=1S/C15H17F2N3O2/c1-8-5-11-13(21)20(2)14(18)19-15(11,7-22-8)10-4-3-9(16)6-12(10)17/h3-4,6,8,11H,5,7H2,1-2H3,(H2,18,19)/t8-,11-,15+/m0/s1
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105n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-1


(Homo sapiens (Human))
BDBM228013
PNG
(US10047098, 41)
Show SMILES CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C1CC1)c1cc(Oc2ccnnc2)ccc1F
Show InChI InChI=1S/C21H22FN5O3/c1-27-19(28)16-9-18(12-2-3-12)29-11-21(16,26-20(27)23)15-8-13(4-5-17(15)22)30-14-6-7-24-25-10-14/h4-8,10,12,16,18H,2-3,9,11H2,1H3,(H2,23,26)/t16-,18+,21+/m0/s1
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106n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-2


(Homo sapiens (Human))
BDBM227986
PNG
(US10047098, 18)
Show SMILES CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C1CC1)c1cc(Oc2ncc(F)cc2F)ccc1F
Show InChI InChI=1S/C22H21F3N4O3/c1-29-20(30)15-8-18(11-2-3-11)31-10-22(15,28-21(29)26)14-7-13(4-5-16(14)24)32-19-17(25)6-12(23)9-27-19/h4-7,9,11,15,18H,2-3,8,10H2,1H3,(H2,26,28)/t15-,18+,22+/m0/s1
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109n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-1


(Homo sapiens (Human))
BDBM227979
PNG
(US10047098, 11)
Show SMILES C[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1ccc(F)cc1F
Show InChI InChI=1S/C15H17F2N3O2/c1-8-5-11-13(21)20(2)14(18)19-15(11,7-22-8)10-4-3-9(16)6-12(10)17/h3-4,6,8,11H,5,7H2,1-2H3,(H2,18,19)/t8-,11-,15+/m0/s1
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110n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-2


(Homo sapiens (Human))
BDBM228027
PNG
(US10047098, 53)
Show SMILES COC1CC(COc2ccc(F)c(c2)[C@]23CO[C@H](C[C@H]2C(=O)N(C)C(=N)N3)C2CC2)C1
Show InChI InChI=1S/C23H30FN3O4/c1-27-21(28)18-10-20(14-3-4-14)31-12-23(18,26-22(27)25)17-9-15(5-6-19(17)24)30-11-13-7-16(8-13)29-2/h5-6,9,13-14,16,18,20H,3-4,7-8,10-12H2,1-2H3,(H2,25,26)/t13?,16?,18-,20+,23+/m0/s1
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117n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-1


(Homo sapiens (Human))
BDBM228034
PNG
(US10047098, 60)
Show SMILES CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C1CC1)c1cc(Oc2ncc(C)cc2F)ccc1F
Show InChI InChI=1S/C23H24F2N4O3/c1-12-7-18(25)20(27-10-12)32-14-5-6-17(24)15(8-14)23-11-31-19(13-3-4-13)9-16(23)21(30)29(2)22(26)28-23/h5-8,10,13,16,19H,3-4,9,11H2,1-2H3,(H2,26,28)/t16-,19+,23+/m0/s1
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121n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-2


(Homo sapiens (Human))
BDBM228034
PNG
(US10047098, 60)
Show SMILES CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C1CC1)c1cc(Oc2ncc(C)cc2F)ccc1F
Show InChI InChI=1S/C23H24F2N4O3/c1-12-7-18(25)20(27-10-12)32-14-5-6-17(24)15(8-14)23-11-31-19(13-3-4-13)9-16(23)21(30)29(2)22(26)28-23/h5-8,10,13,16,19H,3-4,9,11H2,1-2H3,(H2,26,28)/t16-,19+,23+/m0/s1
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125n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-2


(Homo sapiens (Human))
BDBM227980
PNG
(US10047098, 12)
Show SMILES C[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(Br)ccc1F
Show InChI InChI=1S/C15H17BrFN3O2/c1-8-5-11-13(21)20(2)14(18)19-15(11,7-22-8)10-6-9(16)3-4-12(10)17/h3-4,6,8,11H,5,7H2,1-2H3,(H2,18,19)/t8-,11-,15+/m0/s1
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125n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-2


(Homo sapiens (Human))
BDBM228009
PNG
(US10047098, 37)
Show SMILES CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C1CC1)c1cc(OCC23CC(C2)(C3)C#N)ccc1F
Show InChI InChI=1S/C24H27FN4O3/c1-29-20(30)17-7-19(14-2-3-14)32-13-24(17,28-21(29)27)16-6-15(4-5-18(16)25)31-12-23-8-22(9-23,10-23)11-26/h4-6,14,17,19H,2-3,7-10,12-13H2,1H3,(H2,27,28)/t17-,19+,22?,23?,24+/m0/s1
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127n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-1


(Homo sapiens (Human))
BDBM227976
PNG
(US10047098, 8)
Show SMILES CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)c1cc(C)no1)c1cc(F)ccc1F
Show InChI InChI=1S/C18H18F2N4O3/c1-9-5-15(27-23-9)14-7-12-16(25)24(2)17(21)22-18(12,8-26-14)11-6-10(19)3-4-13(11)20/h3-6,12,14H,7-8H2,1-2H3,(H2,21,22)/t12-,14+,18+/m0/s1
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131n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-1


(Homo sapiens (Human))
BDBM227997
PNG
(US10047098, 28)
Show SMILES CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C1CC1)c1cc(ccc1F)-c1cncnc1
Show InChI InChI=1S/C21H22FN5O2/c1-27-19(28)16-7-18(12-2-3-12)29-10-21(16,26-20(27)23)15-6-13(4-5-17(15)22)14-8-24-11-25-9-14/h4-6,8-9,11-12,16,18H,2-3,7,10H2,1H3,(H2,23,26)/t16-,18+,21+/m0/s1
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136n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-1


(Homo sapiens (Human))
BDBM228068
PNG
(US10047098, 96)
Show SMILES C[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(Oc2ncccc2F)ncc1F
Show InChI InChI=1S/C19H19F2N5O3/c1-10-6-12-17(27)26(2)18(22)25-19(12,9-28-10)11-7-15(24-8-14(11)21)29-16-13(20)4-3-5-23-16/h3-5,7-8,10,12H,6,9H2,1-2H3,(H2,22,25)/t10-,12-,19+/m0/s1
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145n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-2


(Homo sapiens (Human))
BDBM228063
PNG
(US10047098, 91)
Show SMILES COc1cc(c(F)cn1)[C@]12CO[C@@H](C)C[C@H]1C(=O)N(C)C(=N)N2
Show InChI InChI=1S/C15H19FN4O3/c1-8-4-10-13(21)20(2)14(17)19-15(10,7-23-8)9-5-12(22-3)18-6-11(9)16/h5-6,8,10H,4,7H2,1-3H3,(H2,17,19)/t8-,10-,15+/m0/s1
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155n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-1


(Homo sapiens (Human))
BDBM228040
PNG
(US10047098, 68)
Show SMILES C[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(Oc2ccc(F)cn2)ccc1F
Show InChI InChI=1S/C20H20F2N4O3/c1-11-7-15-18(27)26(2)19(23)25-20(15,10-28-11)14-8-13(4-5-16(14)22)29-17-6-3-12(21)9-24-17/h3-6,8-9,11,15H,7,10H2,1-2H3,(H2,23,25)/t11-,15-,20+/m0/s1
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157n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-1


(Homo sapiens (Human))
BDBM228027
PNG
(US10047098, 53)
Show SMILES COC1CC(COc2ccc(F)c(c2)[C@]23CO[C@H](C[C@H]2C(=O)N(C)C(=N)N3)C2CC2)C1
Show InChI InChI=1S/C23H30FN3O4/c1-27-21(28)18-10-20(14-3-4-14)31-12-23(18,26-22(27)25)17-9-15(5-6-19(17)24)30-11-13-7-16(8-13)29-2/h5-6,9,13-14,16,18,20H,3-4,7-8,10-12H2,1-2H3,(H2,25,26)/t13?,16?,18-,20+,23+/m0/s1
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180n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-2


(Homo sapiens (Human))
BDBM227990
PNG
(US10047098, 22)
Show SMILES CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C1CC1)c1cc(Oc2ccnc(C)n2)ccc1F
Show InChI InChI=1S/C22H24FN5O3/c1-12-25-8-7-19(26-12)31-14-5-6-17(23)15(9-14)22-11-30-18(13-3-4-13)10-16(22)20(29)28(2)21(24)27-22/h5-9,13,16,18H,3-4,10-11H2,1-2H3,(H2,24,27)/t16-,18+,22+/m0/s1
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182n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-2


(Homo sapiens (Human))
BDBM228015
PNG
(US10047098, 43)
Show SMILES CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C1CC1)c1cc(Oc2ncccn2)ccc1F
Show InChI InChI=1S/C21H22FN5O3/c1-27-18(28)15-10-17(12-3-4-12)29-11-21(15,26-19(27)23)14-9-13(5-6-16(14)22)30-20-24-7-2-8-25-20/h2,5-9,12,15,17H,3-4,10-11H2,1H3,(H2,23,26)/t15-,17+,21+/m0/s1
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191n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-1


(Homo sapiens (Human))
BDBM228010
PNG
(US10047098, 38)
Show SMILES CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C1CC1)c1cc(ccc1F)C#N
Show InChI InChI=1S/C18H19FN4O2/c1-23-16(24)13-7-15(11-3-4-11)25-9-18(13,22-17(23)21)12-6-10(8-20)2-5-14(12)19/h2,5-6,11,13,15H,3-4,7,9H2,1H3,(H2,21,22)/t13-,15+,18+/m0/s1
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206n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-2


(Homo sapiens (Human))
BDBM227988
PNG
(US10047098, 20)
Show SMILES CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C1CC1)c1cc(Oc2ccnc(c2)C(F)F)ccc1F
Show InChI InChI=1S/C23H23F3N4O3/c1-30-21(31)16-10-19(12-2-3-12)32-11-23(16,29-22(30)27)15-8-13(4-5-17(15)24)33-14-6-7-28-18(9-14)20(25)26/h4-9,12,16,19-20H,2-3,10-11H2,1H3,(H2,27,29)/t16-,19+,23+/m0/s1
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228n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-2


(Homo sapiens (Human))
BDBM228042
PNG
(US10047098, 70)
Show SMILES C[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(Oc2nccnc2C)ccc1F
Show InChI InChI=1S/C20H22FN5O3/c1-11-8-15-18(27)26(3)19(22)25-20(15,10-28-11)14-9-13(4-5-16(14)21)29-17-12(2)23-6-7-24-17/h4-7,9,11,15H,8,10H2,1-3H3,(H2,22,25)/t11-,15-,20+/m0/s1
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235n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-2


(Homo sapiens (Human))
BDBM227968
PNG
(US10047098, 1)
Show SMILES COC[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1ccc(F)cc1F
Show InChI InChI=1S/C16H19F2N3O3/c1-21-14(22)12-6-10(7-23-2)24-8-16(12,20-15(21)19)11-4-3-9(17)5-13(11)18/h3-5,10,12H,6-8H2,1-2H3,(H2,19,20)/t10-,12+,16-/m1/s1
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237n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-2


(Homo sapiens (Human))
BDBM228049
PNG
(US10047098, 77)
Show SMILES C[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(Oc2cc3ccccc3cn2)ccc1F
Show InChI InChI=1S/C24H23FN4O3/c1-14-9-19-22(30)29(2)23(26)28-24(19,13-31-14)18-11-17(7-8-20(18)25)32-21-10-15-5-3-4-6-16(15)12-27-21/h3-8,10-12,14,19H,9,13H2,1-2H3,(H2,26,28)/t14-,19-,24+/m0/s1
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242n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-2


(Homo sapiens (Human))
BDBM227975
PNG
(US10047098, 7)
Show SMILES CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C(F)F)c1ccc(F)cc1F
Show InChI InChI=1S/C15H15F4N3O2/c1-22-13(23)9-5-11(12(18)19)24-6-15(9,21-14(22)20)8-3-2-7(16)4-10(8)17/h2-4,9,11-12H,5-6H2,1H3,(H2,20,21)/t9-,11+,15+/m0/s1
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254n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-2


(Homo sapiens (Human))
BDBM227974
PNG
(US10047098, 6)
Show SMILES CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C1CC1)c1ccc(F)cc1F
Show InChI InChI=1S/C17H19F2N3O2/c1-22-15(23)12-7-14(9-2-3-9)24-8-17(12,21-16(22)20)11-5-4-10(18)6-13(11)19/h4-6,9,12,14H,2-3,7-8H2,1H3,(H2,20,21)/t12-,14+,17+/m0/s1
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265n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-1


(Homo sapiens (Human))
BDBM228045
PNG
(US10047098, 73)
Show SMILES C[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(Oc2ncccc2C)ccc1F
Show InChI InChI=1S/C21H23FN4O3/c1-12-5-4-8-24-18(12)29-14-6-7-17(22)15(10-14)21-11-28-13(2)9-16(21)19(27)26(3)20(23)25-21/h4-8,10,13,16H,9,11H2,1-3H3,(H2,23,25)/t13-,16-,21+/m0/s1
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295n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-2


(Homo sapiens (Human))
BDBM228058
PNG
(US10047098, 86)
Show SMILES CN1C(=N)N[C@]2(COCC[C@H]2C1=O)c1cc(Br)ccc1F
Show InChI InChI=1S/C14H15BrFN3O2/c1-19-12(20)9-4-5-21-7-14(9,18-13(19)17)10-6-8(15)2-3-11(10)16/h2-3,6,9H,4-5,7H2,1H3,(H2,17,18)/t9-,14-/m0/s1
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298n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-2


(Homo sapiens (Human))
BDBM228003
PNG
(US10047098, 33 | US10047098, 89)
Show SMILES COC[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(Br)ccc1F
Show InChI InChI=1S/C16H19BrFN3O3/c1-21-14(22)12-6-10(7-23-2)24-8-16(12,20-15(21)19)11-5-9(17)3-4-13(11)18/h3-5,10,12H,6-8H2,1-2H3,(H2,19,20)/t10-,12+,16-/m1/s1
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304n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-2


(Homo sapiens (Human))
BDBM228003
PNG
(US10047098, 33 | US10047098, 89)
Show SMILES COC[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(Br)ccc1F
Show InChI InChI=1S/C16H19BrFN3O3/c1-21-14(22)12-6-10(7-23-2)24-8-16(12,20-15(21)19)11-5-9(17)3-4-13(11)18/h3-5,10,12H,6-8H2,1-2H3,(H2,19,20)/t10-,12+,16-/m1/s1
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304n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-1


(Homo sapiens (Human))
BDBM227975
PNG
(US10047098, 7)
Show SMILES CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C(F)F)c1ccc(F)cc1F
Show InChI InChI=1S/C15H15F4N3O2/c1-22-13(23)9-5-11(12(18)19)24-6-15(9,21-14(22)20)8-3-2-7(16)4-10(8)17/h2-4,9,11-12H,5-6H2,1H3,(H2,20,21)/t9-,11+,15+/m0/s1
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312n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-1


(Homo sapiens (Human))
BDBM228036
PNG
(US10047098, 64)
Show SMILES C[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(O)ccc1F
Show InChI InChI=1S/C15H18FN3O3/c1-8-5-11-13(21)19(2)14(17)18-15(11,7-22-8)10-6-9(20)3-4-12(10)16/h3-4,6,8,11,20H,5,7H2,1-2H3,(H2,17,18)/t8-,11-,15+/m0/s1
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358n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-2


(Homo sapiens (Human))
BDBM228010
PNG
(US10047098, 38)
Show SMILES CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C1CC1)c1cc(ccc1F)C#N
Show InChI InChI=1S/C18H19FN4O2/c1-23-16(24)13-7-15(11-3-4-11)25-9-18(13,22-17(23)21)12-6-10(8-20)2-5-14(12)19/h2,5-6,11,13,15H,3-4,7,9H2,1H3,(H2,21,22)/t13-,15+,18+/m0/s1
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398n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-1


(Homo sapiens (Human))
BDBM228042
PNG
(US10047098, 70)
Show SMILES C[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(Oc2nccnc2C)ccc1F
Show InChI InChI=1S/C20H22FN5O3/c1-11-8-15-18(27)26(3)19(22)25-20(15,10-28-11)14-9-13(4-5-16(14)21)29-17-12(2)23-6-7-24-17/h4-7,9,11,15H,8,10H2,1-3H3,(H2,22,25)/t11-,15-,20+/m0/s1
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402n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-1


(Homo sapiens (Human))
BDBM228063
PNG
(US10047098, 91)
Show SMILES COc1cc(c(F)cn1)[C@]12CO[C@@H](C)C[C@H]1C(=O)N(C)C(=N)N2
Show InChI InChI=1S/C15H19FN4O3/c1-8-4-10-13(21)20(2)14(17)19-15(10,7-23-8)9-5-12(22-3)18-6-11(9)16/h5-6,8,10H,4,7H2,1-3H3,(H2,17,19)/t8-,10-,15+/m0/s1
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468n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-1


(Homo sapiens (Human))
BDBM227980
PNG
(US10047098, 12)
Show SMILES C[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(Br)ccc1F
Show InChI InChI=1S/C15H17BrFN3O2/c1-8-5-11-13(21)20(2)14(18)19-15(11,7-22-8)10-6-9(16)3-4-12(10)17/h3-4,6,8,11H,5,7H2,1-2H3,(H2,18,19)/t8-,11-,15+/m0/s1
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562n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-2


(Homo sapiens (Human))
BDBM227997
PNG
(US10047098, 28)
Show SMILES CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C1CC1)c1cc(ccc1F)-c1cncnc1
Show InChI InChI=1S/C21H22FN5O2/c1-27-19(28)16-7-18(12-2-3-12)29-10-21(16,26-20(27)23)15-6-13(4-5-17(15)22)14-8-24-11-25-9-14/h4-6,8-9,11-12,16,18H,2-3,7,10H2,1H3,(H2,23,26)/t16-,18+,21+/m0/s1
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627n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-1


(Homo sapiens (Human))
BDBM227968
PNG
(US10047098, 1)
Show SMILES COC[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1ccc(F)cc1F
Show InChI InChI=1S/C16H19F2N3O3/c1-21-14(22)12-6-10(7-23-2)24-8-16(12,20-15(21)19)11-4-3-9(17)5-13(11)18/h3-5,10,12H,6-8H2,1-2H3,(H2,19,20)/t10-,12+,16-/m1/s1
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629n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-1


(Homo sapiens (Human))
BDBM228029
PNG
(US10047098, 55)
Show SMILES CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C1CC1)c1cc(OCC(F)(F)F)ccc1F
Show InChI InChI=1S/C19H21F4N3O3/c1-26-16(27)13-7-15(10-2-3-10)29-8-18(13,25-17(26)24)12-6-11(4-5-14(12)20)28-9-19(21,22)23/h4-6,10,13,15H,2-3,7-9H2,1H3,(H2,24,25)/t13-,15+,18+/m0/s1
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636n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-1


(Homo sapiens (Human))
BDBM228003
PNG
(US10047098, 33 | US10047098, 89)
Show SMILES COC[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(Br)ccc1F
Show InChI InChI=1S/C16H19BrFN3O3/c1-21-14(22)12-6-10(7-23-2)24-8-16(12,20-15(21)19)11-5-9(17)3-4-13(11)18/h3-5,10,12H,6-8H2,1-2H3,(H2,19,20)/t10-,12+,16-/m1/s1
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909n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-1


(Homo sapiens (Human))
BDBM228003
PNG
(US10047098, 33 | US10047098, 89)
Show SMILES COC[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(Br)ccc1F
Show InChI InChI=1S/C16H19BrFN3O3/c1-21-14(22)12-6-10(7-23-2)24-8-16(12,20-15(21)19)11-5-9(17)3-4-13(11)18/h3-5,10,12H,6-8H2,1-2H3,(H2,19,20)/t10-,12+,16-/m1/s1
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910n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-1


(Homo sapiens (Human))
BDBM228022
PNG
(US10047098, 48)
Show SMILES COC(=O)[C@@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1ccc(F)cc1F
Show InChI InChI=1S/C16H17F2N3O4/c1-21-13(22)10-6-12(14(23)24-2)25-7-16(10,20-15(21)19)9-4-3-8(17)5-11(9)18/h3-5,10,12H,6-7H2,1-2H3,(H2,19,20)/t10-,12-,16+/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
Reagents: Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE1 catalytic domain (>95% pure); APP Swed...


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-1


(Homo sapiens (Human))
BDBM228058
PNG
(US10047098, 86)
Show SMILES CN1C(=N)N[C@]2(COCC[C@H]2C1=O)c1cc(Br)ccc1F
Show InChI InChI=1S/C14H15BrFN3O2/c1-19-12(20)9-4-5-21-7-14(9,18-13(19)17)10-6-8(15)2-3-11(10)16/h2-3,6,9H,4-5,7H2,1H3,(H2,17,18)/t9-,14-/m0/s1
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1.20E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-2


(Homo sapiens (Human))
BDBM228022
PNG
(US10047098, 48)
Show SMILES COC(=O)[C@@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1ccc(F)cc1F
Show InChI InChI=1S/C16H17F2N3O4/c1-21-13(22)10-6-12(14(23)24-2)25-7-16(10,20-15(21)19)9-4-3-8(17)5-11(9)18/h3-5,10,12H,6-7H2,1-2H3,(H2,19,20)/t10-,12-,16+/m0/s1
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1.39E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-1


(Homo sapiens (Human))
BDBM228049
PNG
(US10047098, 77)
Show SMILES C[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(Oc2cc3ccccc3cn2)ccc1F
Show InChI InChI=1S/C24H23FN4O3/c1-14-9-19-22(30)29(2)23(26)28-24(19,13-31-14)18-11-17(7-8-20(18)25)32-21-10-15-5-3-4-6-16(15)12-27-21/h3-8,10-12,14,19H,9,13H2,1-2H3,(H2,26,28)/t14-,19-,24+/m0/s1
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1.45E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-2


(Homo sapiens (Human))
BDBM228066
PNG
(US10047098, 94)
Show SMILES C[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(=O)n(CC2CC2)cc1F
Show InChI InChI=1S/C18H23FN4O3/c1-10-5-13-16(25)22(2)17(20)21-18(13,9-26-10)12-6-15(24)23(8-14(12)19)7-11-3-4-11/h6,8,10-11,13H,3-5,7,9H2,1-2H3,(H2,20,21)/t10-,13-,18+/m0/s1
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1.59E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-2


(Homo sapiens (Human))
BDBM228067
PNG
(US10047098, 95)
Show SMILES C[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(=O)n(CCC=C)cc1F
Show InChI InChI=1S/C18H23FN4O3/c1-4-5-6-23-9-14(19)12(8-15(23)24)18-10-26-11(2)7-13(18)16(25)22(3)17(20)21-18/h4,8-9,11,13H,1,5-7,10H2,2-3H3,(H2,20,21)/t11-,13-,18+/m0/s1
UniProtKB/SwissProt

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1.59E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-1


(Homo sapiens (Human))
BDBM228066
PNG
(US10047098, 94)
Show SMILES C[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(=O)n(CC2CC2)cc1F
Show InChI InChI=1S/C18H23FN4O3/c1-10-5-13-16(25)22(2)17(20)21-18(13,9-26-10)12-6-15(24)23(8-14(12)19)7-11-3-4-11/h6,8,10-11,13H,3-5,7,9H2,1-2H3,(H2,20,21)/t10-,13-,18+/m0/s1
PDB
MMDB

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4.18E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-2


(Homo sapiens (Human))
BDBM228029
PNG
(US10047098, 55)
Show SMILES CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C1CC1)c1cc(OCC(F)(F)F)ccc1F
Show InChI InChI=1S/C19H21F4N3O3/c1-26-16(27)13-7-15(10-2-3-10)29-8-18(13,25-17(26)24)12-6-11(4-5-14(12)20)28-9-19(21,22)23/h4-6,10,13,15H,2-3,7-9H2,1H3,(H2,24,25)/t13-,15+,18+/m0/s1
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4.61E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-1


(Homo sapiens (Human))
BDBM228021
PNG
(US10047098, 47)
Show SMILES COC[C@@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1ccc(F)cc1F
Show InChI InChI=1S/C16H19F2N3O3/c1-21-14(22)12-6-10(7-23-2)24-8-16(12,20-15(21)19)11-4-3-9(17)5-13(11)18/h3-5,10,12H,6-8H2,1-2H3,(H2,19,20)/t10-,12-,16+/m0/s1
PDB
MMDB

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5.72E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-1


(Homo sapiens (Human))
BDBM228067
PNG
(US10047098, 95)
Show SMILES C[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(=O)n(CCC=C)cc1F
Show InChI InChI=1S/C18H23FN4O3/c1-4-5-6-23-9-14(19)12(8-15(23)24)18-10-26-11(2)7-13(18)16(25)22(3)17(20)21-18/h4,8-9,11,13H,1,5-7,10H2,2-3H3,(H2,20,21)/t11-,13-,18+/m0/s1
PDB
MMDB

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8.40E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10047098 (2018)

More data for this
Ligand-Target Pair
BACE-2


(Homo sapiens (Human))
BDBM228021
PNG
(US10047098, 47)
Show SMILES COC[C@@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1ccc(F)cc1F
Show InChI InChI=1S/C16H19F2N3O3/c1-21-14(22)12-6-10(7-23-2)24-8-16(12,20-15(21)19)11-4-3-9(17)5-13(11)18/h3-5,10,12H,6-8H2,1-2H3,(H2,19,20)/t10-,12-,16+/m0/s1
UniProtKB/SwissProt

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9.30E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10047098 (2018)

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