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Compile Data Set for Download or QSAR

Found 1468 hits with Last Name = 'dai' and Initial = 'x'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Beta-secretase 2


(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
PDB

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US Patent
0.760n/an/an/an/an/an/a5.0n/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
Beta-secretase 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/a5.0n/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
Beta-secretase 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/a5.0n/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
Beta-secretase 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/a5.0n/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
Beta-secretase 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/a5.0n/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
Beta-secretase 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/a5.0n/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
Beta-secretase 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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US Patent
2.19n/an/an/an/an/an/a5.0n/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
Beta-secretase 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/a5.0n/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
Beta-secretase 1


(Homo sapiens (Human))
BDBM337570
PNG
(US9745324, 39)
Show SMILES CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(=O)c2cnc(OCC#C)cn2)ccc1F
Show InChI InChI=1S/C22H25FN6O4S/c1-6-9-33-18-12-25-17(11-26-18)19(30)27-14-7-8-16(23)15(10-14)22(4)13-29(5)34(31,32)21(2,3)20(24)28-22/h1,7-8,10-12H,9,13H2,2-5H3,(H2,24,28)(H,27,30)/t22-/m0/s1
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2.30n/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 US9745324 (2017)

More data for this
Ligand-Target Pair
Beta-secretase 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
PDB
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3n/an/an/an/an/an/a5.0n/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
Beta-secretase 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
PDB

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PC sid
UniChem
US Patent
3n/an/an/an/an/an/a5.0n/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
Beta-secretase 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/a5.0n/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
Beta-secretase 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
PDB
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3n/an/an/an/an/an/a5.0n/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
Beta-secretase 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
PDB
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3.20n/an/an/an/an/an/a5.0n/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
Beta-secretase 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
PDB

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4n/an/an/an/an/an/a5.0n/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
Beta-secretase 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
PDB
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4n/an/an/an/an/an/a5.0n/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
Beta-secretase 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
PDB

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US Patent
4n/an/an/an/an/an/a5.0n/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
Beta-secretase 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/a5.0n/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
Beta-secretase 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
PDB

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4.46n/an/an/an/an/an/a5.0n/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
Beta-secretase 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/a5.0n/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
Beta-secretase 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/a5.0n/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
Beta-secretase 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/a5.0n/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
Beta-secretase 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/a5.0n/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
Beta-secretase 2


(Homo sapiens (Human))
BDBM337533
PNG
(US9745324, 2)
Show SMILES CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(=O)c2ccn(n2)C(F)F)ccc1F
Show InChI InChI=1S/C19H23F3N6O3S/c1-18(2)16(23)25-19(3,10-27(4)32(18,30)31)12-9-11(5-6-13(12)20)24-15(29)14-7-8-28(26-14)17(21)22/h5-9,17H,10H2,1-4H3,(H2,23,25)(H,24,29)/t19-/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 US9745324 (2017)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM337554
PNG
(US9745324, 23)
Show SMILES CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(=O)c2ncc(Cl)cc2F)ccc1F
Show InChI InChI=1S/C20H22ClF2N5O3S/c1-19(2)18(24)27-20(3,10-28(4)32(19,30)31)13-8-12(5-6-14(13)22)26-17(29)16-15(23)7-11(21)9-25-16/h5-9H,10H2,1-4H3,(H2,24,27)(H,26,29)/t20-/m0/s1
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6.40n/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 US9745324 (2017)

More data for this
Ligand-Target Pair
Beta-secretase 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/a5.0n/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
Beta-secretase 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/a5.0n/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
Beta-secretase 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/a5.0n/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
Beta-secretase 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/a5.0n/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
Beta-secretase 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/a5.0n/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
Beta-secretase 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/a5.0n/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
Beta-secretase 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/a5.0n/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
Beta-secretase 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/a5.0n/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
Beta-secretase 2


(Homo sapiens (Human))
BDBM337538
PNG
(US9745324, 7)
Show SMILES CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F
Show InChI InChI=1S/C20H23ClFN5O3S/c1-19(2)18(23)26-20(3,11-27(4)31(19,29)30)14-9-13(6-7-15(14)22)25-17(28)16-8-5-12(21)10-24-16/h5-10H,11H2,1-4H3,(H2,23,26)(H,25,28)/t20-/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 US9745324 (2017)

More data for this
Ligand-Target Pair
Beta-secretase 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/a5.0n/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
Beta-secretase 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/a5.0n/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
Beta-secretase 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/a5.0n/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
Beta-secretase 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/a5.0n/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
Beta-secretase 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/a5.0n/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
Beta-secretase 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/a5.0n/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
Beta-secretase 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/a5.0n/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
Beta-secretase 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/a5.0n/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
Beta-secretase 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/a5.0n/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
Beta-secretase 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/a5.0n/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
Beta-secretase 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/a5.0n/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
Beta-secretase 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/a5.0n/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
Beta-secretase 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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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
Beta-secretase 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/a5.0n/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
Beta-secretase 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/a5.0n/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
Beta-secretase 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/a5.0n/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
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