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Patent code US11021493

Compile Data Set for Download or QSAR

Found 720 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
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Beta-secretase 1


(Homo sapiens (Human))
BDBM501249
PNG
(US11021493, Example 168)
Show SMILES CC#CCOc1cnc(cn1)C(\F)=C\c1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)N(C)C(N)=N1
Show InChI InChI=1S/C21H21F2N5O3S/c1-4-5-8-31-19-12-25-18(11-26-19)17(23)10-14-6-7-16(22)15(9-14)21(2)13-32(29,30)28(3)20(24)27-21/h6-7,9-12H,8,13H2,1-3H3,(H2,24,27)/b17-10-/t21-/m0/s1
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Amgen Inc.

US Patent


Assay Description
The cell-based assay measures inhibition or reduction of Aβ40 in conditioned medium of test compound treated cells expressing amyloid precursor ...


US Patent US11021493 (2021)

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


(Homo sapiens (Human))
BDBM501246
PNG
(US11021493, Example 165)
Show SMILES CC#CCOc1cnc(cn1)C(\F)=C\c1cc(F)c(F)c(c1)[C@]1(C)CS(=O)(=O)N(C)C(N)=N1
Show InChI InChI=1S/C21H20F3N5O3S/c1-4-5-6-32-18-11-26-17(10-27-18)15(22)8-13-7-14(19(24)16(23)9-13)21(2)12-33(30,31)29(3)20(25)28-21/h7-11H,6,12H2,1-3H3,(H2,25,28)/b15-8-/t21-/m0/s1
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Amgen Inc.

US Patent


Assay Description
The cDNAs for both human recombinant BACE1 and 2 with C-terminal 6-His Tags were cloned into transient protein expression vectors, which were subsequ...


US Patent US11021493 (2021)

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


(Homo sapiens (Human))
BDBM501197
PNG
(US11021493, Example 116)
Show SMILES CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(OCc3ncco3)cn2)ccc1F
Show InChI InChI=1S/C21H20F2N6O4S/c1-21(12-34(30,31)29(2)20(24)28-21)14-7-13(3-4-15(14)22)8-16(23)17-9-27-18(10-26-17)33-11-19-25-5-6-32-19/h3-10H,11-12H2,1-2H3,(H2,24,28)/b16-8-/t21-/m0/s1
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Amgen Inc.

US Patent


Assay Description
The cell-based assay measures inhibition or reduction of Aβ40 in conditioned medium of test compound treated cells expressing amyloid precursor ...


US Patent US11021493 (2021)

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


(Homo sapiens (Human))
BDBM501218
PNG
(US11021493, Example 137)
Show SMILES CC#CCOc1cnc(cn1)C(\F)=C\c1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@@]2(CF)CC[C@@H]1S2(=O)=O
Show InChI InChI=1S/C24H23F3N4O3S/c1-3-4-9-34-21-13-29-19(12-30-21)18(27)11-15-5-6-17(26)16(10-15)23(2)20-7-8-24(14-25,22(28)31-23)35(20,32)33/h5-6,10-13,20H,7-9,14H2,1-2H3,(H2,28,31)/b18-11-/t20-,23+,24-/m0/s1
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Amgen Inc.

US Patent


Assay Description
The cDNAs for both human recombinant BACE1 and 2 with C-terminal 6-His Tags were cloned into transient protein expression vectors, which were subsequ...


US Patent US11021493 (2021)

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


(Homo sapiens (Human))
BDBM501187
PNG
(US11021493, Example 106)
Show SMILES CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F
Show InChI InChI=1S/C19H17F2N5O2S/c1-19(11-29(27,28)26(2)18(23)25-19)14-7-12(3-5-15(14)20)8-16(21)17-6-4-13(9-22)10-24-17/h3-8,10H,11H2,1-2H3,(H2,23,25)/b16-8-/t19-/m0/s1
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Amgen Inc.

US Patent


Assay Description
The cDNAs for both human recombinant BACE1 and 2 with C-terminal 6-His Tags were cloned into transient protein expression vectors, which were subsequ...


US Patent US11021493 (2021)

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


(Homo sapiens (Human))
BDBM501188
PNG
(US11021493, Example 107 | US11021493, Example 275)
Show SMILES CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2ccc(cn2)C#N)cc(F)c1F
Show InChI InChI=1S/C19H16F3N5O2S/c1-19(10-30(28,29)27(2)18(24)26-19)13-5-12(7-15(21)17(13)22)6-14(20)16-4-3-11(8-23)9-25-16/h3-7,9H,10H2,1-2H3,(H2,24,26)/b14-6-/t19-/m0/s1
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Amgen Inc.

US Patent


Assay Description
The cDNAs for both human recombinant BACE1 and 2 with C-terminal 6-His Tags were cloned into transient protein expression vectors, which were subsequ...


US Patent US11021493 (2021)

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


(Homo sapiens (Human))
BDBM501246
PNG
(US11021493, Example 165)
Show SMILES CC#CCOc1cnc(cn1)C(\F)=C\c1cc(F)c(F)c(c1)[C@]1(C)CS(=O)(=O)N(C)C(N)=N1
Show InChI InChI=1S/C21H20F3N5O3S/c1-4-5-6-32-18-11-26-17(10-27-18)15(22)8-13-7-14(19(24)16(23)9-13)21(2)12-33(30,31)29(3)20(25)28-21/h7-11H,6,12H2,1-3H3,(H2,25,28)/b15-8-/t21-/m0/s1
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Amgen Inc.

US Patent


Assay Description
The cell-based assay measures inhibition or reduction of Aβ40 in conditioned medium of test compound treated cells expressing amyloid precursor ...


US Patent US11021493 (2021)

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


(Homo sapiens (Human))
BDBM501289
PNG
(US11021493, Example 208)
Show SMILES CC#C[C@@H](C)Oc1cnc(cn1)C(\F)=C\c1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(N)=N1
Show InChI InChI=1S/C24H26F2N4O3S/c1-6-7-15(2)33-21-13-28-20(12-29-21)19(26)11-16-8-9-18(25)17(10-16)24(5)14-34(31,32)23(3,4)22(27)30-24/h8-13,15H,14H2,1-5H3,(H2,27,30)/b19-11-/t15-,24+/m1/s1
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Amgen Inc.

US Patent


Assay Description
The cDNAs for both human recombinant BACE1 and 2 with C-terminal 6-His Tags were cloned into transient protein expression vectors, which were subsequ...


US Patent US11021493 (2021)

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


(Homo sapiens (Human))
BDBM501235
PNG
(US11021493, Example 154)
Show SMILES CC#CCOc1cnc(cn1)C(\F)=C\c1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(N)=N1
Show InChI InChI=1S/C23H24F2N4O3S/c1-5-6-9-32-20-13-27-19(12-28-20)18(25)11-15-7-8-17(24)16(10-15)23(4)14-33(30,31)22(2,3)21(26)29-23/h7-8,10-13H,9,14H2,1-4H3,(H2,26,29)/b18-11-/t23-/m0/s1
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Amgen Inc.

US Patent


Assay Description
The cDNAs for both human recombinant BACE1 and 2 with C-terminal 6-His Tags were cloned into transient protein expression vectors, which were subsequ...


US Patent US11021493 (2021)

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


(Homo sapiens (Human))
BDBM501239
PNG
(US11021493, Example 158)
Show SMILES CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(Cl)cn2)cc(F)c1F
Show InChI InChI=1S/C17H15ClF3N5O2S/c1-17(8-29(27,28)26(2)16(22)25-17)10-3-9(5-12(20)15(10)21)4-11(19)13-6-24-14(18)7-23-13/h3-7H,8H2,1-2H3,(H2,22,25)/b11-4-/t17-/m0/s1
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Amgen Inc.

US Patent


Assay Description
The cDNAs for both human recombinant BACE1 and 2 with C-terminal 6-His Tags were cloned into transient protein expression vectors, which were subsequ...


US Patent US11021493 (2021)

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


(Homo sapiens (Human))
BDBM501241
PNG
(US11021493, Example 160 | US11021493, Example 171)
Show SMILES C[C@H](Oc1cnc(cn1)C(\F)=C\c1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(N)=N1)C#C
Show InChI InChI=1S/C23H24F2N4O3S/c1-6-14(2)32-20-12-27-19(11-28-20)18(25)10-15-7-8-17(24)16(9-15)23(5)13-33(30,31)22(3,4)21(26)29-23/h1,7-12,14H,13H2,2-5H3,(H2,26,29)/b18-10-/t14-,23-/m0/s1
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Amgen Inc.

US Patent


Assay Description
The cDNAs for both human recombinant BACE1 and 2 with C-terminal 6-His Tags were cloned into transient protein expression vectors, which were subsequ...


US Patent US11021493 (2021)

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


(Homo sapiens (Human))
BDBM501249
PNG
(US11021493, Example 168)
Show SMILES CC#CCOc1cnc(cn1)C(\F)=C\c1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)N(C)C(N)=N1
Show InChI InChI=1S/C21H21F2N5O3S/c1-4-5-8-31-19-12-25-18(11-26-19)17(23)10-14-6-7-16(22)15(9-14)21(2)13-32(29,30)28(3)20(24)27-21/h6-7,9-12H,8,13H2,1-3H3,(H2,24,27)/b17-10-/t21-/m0/s1
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Amgen Inc.

US Patent


Assay Description
The cDNAs for both human recombinant BACE1 and 2 with C-terminal 6-His Tags were cloned into transient protein expression vectors, which were subsequ...


US Patent US11021493 (2021)

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


(Homo sapiens (Human))
BDBM50510783
PNG
(CHEMBL4470897 | US11021493, Example 123)
Show SMILES CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)ccc1F
Show InChI InChI=1S/C22H22F2N4O3S/c1-5-8-31-19-12-26-18(11-27-19)17(24)10-14-6-7-16(23)15(9-14)22(4)13-32(29,30)21(2,3)20(25)28-22/h1,6-7,9-12H,8,13H2,2-4H3,(H2,25,28)/b17-10-/t22-/m0/s1
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Amgen Inc.

US Patent


Assay Description
The cDNAs for both human recombinant BACE1 and 2 with C-terminal 6-His Tags were cloned into transient protein expression vectors, which were subsequ...


US Patent US11021493 (2021)

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


(Homo sapiens (Human))
BDBM501248
PNG
(US11021493, Example 167)
Show SMILES C[C@H](Oc1cnc(cn1)C(\F)=C\c1cc(F)c(F)c(c1)[C@]1(C)CS(=O)(=O)N(C)C(N)=N1)C#C
Show InChI InChI=1S/C21H20F3N5O3S/c1-5-12(2)32-18-10-26-17(9-27-18)15(22)7-13-6-14(19(24)16(23)8-13)21(3)11-33(30,31)29(4)20(25)28-21/h1,6-10,12H,11H2,2-4H3,(H2,25,28)/b15-7-/t12-,21-/m0/s1
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Amgen Inc.

US Patent


Assay Description
The cDNAs for both human recombinant BACE1 and 2 with C-terminal 6-His Tags were cloned into transient protein expression vectors, which were subsequ...


US Patent US11021493 (2021)

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


(Homo sapiens (Human))
BDBM501313
PNG
(US11021493, Example 232)
Show SMILES CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cc(F)c(Cl)cn2)ccc1F
Show InChI InChI=1S/C18H16ClF3N4O2S/c1-18(9-29(27,28)26(2)17(23)25-18)11-5-10(3-4-13(11)20)6-15(22)16-7-14(21)12(19)8-24-16/h3-8H,9H2,1-2H3,(H2,23,25)/b15-6-/t18-/m0/s1
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Amgen Inc.

US Patent


Assay Description
The cDNAs for both human recombinant BACE1 and 2 with C-terminal 6-His Tags were cloned into transient protein expression vectors, which were subsequ...


US Patent US11021493 (2021)

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


(Homo sapiens (Human))
BDBM501187
PNG
(US11021493, Example 106)
Show SMILES CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F
Show InChI InChI=1S/C19H17F2N5O2S/c1-19(11-29(27,28)26(2)18(23)25-19)14-7-12(3-5-15(14)20)8-16(21)17-6-4-13(9-22)10-24-17/h3-8,10H,11H2,1-2H3,(H2,23,25)/b16-8-/t19-/m0/s1
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Amgen Inc.

US Patent


Assay Description
The cell-based assay measures inhibition or reduction of Aβ40 in conditioned medium of test compound treated cells expressing amyloid precursor ...


US Patent US11021493 (2021)

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


(Homo sapiens (Human))
BDBM501239
PNG
(US11021493, Example 158)
Show SMILES CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(Cl)cn2)cc(F)c1F
Show InChI InChI=1S/C17H15ClF3N5O2S/c1-17(8-29(27,28)26(2)16(22)25-17)10-3-9(5-12(20)15(10)21)4-11(19)13-6-24-14(18)7-23-13/h3-7H,8H2,1-2H3,(H2,22,25)/b11-4-/t17-/m0/s1
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Amgen Inc.

US Patent


Assay Description
The cell-based assay measures inhibition or reduction of Aβ40 in conditioned medium of test compound treated cells expressing amyloid precursor ...


US Patent US11021493 (2021)

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


(Homo sapiens (Human))
BDBM501280
PNG
(US11021493, Example 199)
Show SMILES CC[C@@H](Oc1cnc(cn1)C(\F)=C\c1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(N)=N1)C#CC
Show InChI InChI=1S/C25H28F2N4O3S/c1-6-8-17(7-2)34-22-14-29-21(13-30-22)20(27)12-16-9-10-19(26)18(11-16)25(5)15-35(32,33)24(3,4)23(28)31-25/h9-14,17H,7,15H2,1-5H3,(H2,28,31)/b20-12-/t17-,25+/m1/s1
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Amgen Inc.

US Patent


Assay Description
The cell-based assay measures inhibition or reduction of Aβ40 in conditioned medium of test compound treated cells expressing amyloid precursor ...


US Patent US11021493 (2021)

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


(Homo sapiens (Human))
BDBM501185
PNG
(US11021493, Example 104)
Show SMILES CN1C(NC(=O)OC(C)(C)C)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2ccc(Cl)cn2)ccc1F
Show InChI InChI=1S/C23H25ClF2N4O4S/c1-22(2,3)34-21(31)28-20-29-23(4,13-35(32,33)30(20)5)16-10-14(6-8-17(16)25)11-18(26)19-9-7-15(24)12-27-19/h6-12H,13H2,1-5H3,(H,28,29,31)/b18-11-/t23-/m0/s1
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Amgen Inc.

US Patent


Assay Description
The cDNAs for both human recombinant BACE1 and 2 with C-terminal 6-His Tags were cloned into transient protein expression vectors, which were subsequ...


US Patent US11021493 (2021)

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


(Homo sapiens (Human))
BDBM501350
PNG
(US11021493, Example 269)
Show SMILES CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2ncc(cc2Cl)C#N)ccc1F
Show InChI InChI=1S/C19H16ClF2N5O2S/c1-19(10-30(28,29)27(2)18(24)26-19)13-5-11(3-4-15(13)21)7-16(22)17-14(20)6-12(8-23)9-25-17/h3-7,9H,10H2,1-2H3,(H2,24,26)/b16-7-/t19-/m0/s1
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Amgen Inc.

US Patent


Assay Description
The cDNAs for both human recombinant BACE1 and 2 with C-terminal 6-His Tags were cloned into transient protein expression vectors, which were subsequ...


US Patent US11021493 (2021)

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


(Homo sapiens (Human))
BDBM501266
PNG
(US11021493, Example 185)
Show SMILES CC#CCOc1cnc(cn1)C(\F)=C\c1ccc(F)c(c1)[C@@]1(C)N=C(N)N(C)S(=O)(=O)C1(C)C
Show InChI InChI=1S/C23H25F2N5O3S/c1-6-7-10-33-20-14-27-19(13-28-20)18(25)12-15-8-9-17(24)16(11-15)23(4)22(2,3)34(31,32)30(5)21(26)29-23/h8-9,11-14H,10H2,1-5H3,(H2,26,29)/b18-12-/t23-/m1/s1
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Amgen Inc.

US Patent


Assay Description
The cDNAs for both human recombinant BACE1 and 2 with C-terminal 6-His Tags were cloned into transient protein expression vectors, which were subsequ...


US Patent US11021493 (2021)

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


(Homo sapiens (Human))
BDBM501230
PNG
(US11021493, Example 149)
Show SMILES C[C@]1(CS(=O)(=O)C2(CCC2)C(N)=N1)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)ccc1F
Show InChI InChI=1S/C23H22F2N4O3S/c1-3-9-32-20-13-27-19(12-28-20)18(25)11-15-5-6-17(24)16(10-15)22(2)14-33(30,31)23(7-4-8-23)21(26)29-22/h1,5-6,10-13H,4,7-9,14H2,2H3,(H2,26,29)/b18-11-/t22-/m0/s1
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Amgen Inc.

US Patent


Assay Description
The cDNAs for both human recombinant BACE1 and 2 with C-terminal 6-His Tags were cloned into transient protein expression vectors, which were subsequ...


US Patent US11021493 (2021)

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


(Homo sapiens (Human))
BDBM501342
PNG
(US11021493, Example 261)
Show SMILES CC1(C)C(N)=N[C@]2(CO[C@H]2S1(=O)=O)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F
Show InChI InChI=1S/C21H18F2N4O3S/c1-20(2)18(25)27-21(11-30-19(21)31(20,28)29)14-7-12(3-5-15(14)22)8-16(23)17-6-4-13(9-24)10-26-17/h3-8,10,19H,11H2,1-2H3,(H2,25,27)/b16-8-/t19-,21+/m0/s1
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Amgen Inc.

US Patent


Assay Description
The cDNAs for both human recombinant BACE1 and 2 with C-terminal 6-His Tags were cloned into transient protein expression vectors, which were subsequ...


US Patent US11021493 (2021)

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


(Homo sapiens (Human))
BDBM501194
PNG
(US11021493, Example 113)
Show SMILES CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F
Show InChI InChI=1S/C21H20F2N4O2S/c1-20(2)19(25)27-21(3,12-30(20,28)29)15-8-13(4-6-16(15)22)9-17(23)18-7-5-14(10-24)11-26-18/h4-9,11H,12H2,1-3H3,(H2,25,27)/b17-9-/t21-/m0/s1
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Amgen Inc.

US Patent


Assay Description
The cDNAs for both human recombinant BACE1 and 2 with C-terminal 6-His Tags were cloned into transient protein expression vectors, which were subsequ...


US Patent US11021493 (2021)

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


(Homo sapiens (Human))
BDBM501251
PNG
(US11021493, Example 170)
Show SMILES CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(cn2)C#N)ccc1F
Show InChI InChI=1S/C20H19F2N5O2S/c1-19(2)18(24)27-20(3,11-30(19,28)29)14-6-12(4-5-15(14)21)7-16(22)17-10-25-13(8-23)9-26-17/h4-7,9-10H,11H2,1-3H3,(H2,24,27)/b16-7-/t20-/m0/s1
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Amgen Inc.

US Patent


Assay Description
The cDNAs for both human recombinant BACE1 and 2 with C-terminal 6-His Tags were cloned into transient protein expression vectors, which were subsequ...


US Patent US11021493 (2021)

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


(Homo sapiens (Human))
BDBM501235
PNG
(US11021493, Example 154)
Show SMILES CC#CCOc1cnc(cn1)C(\F)=C\c1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(N)=N1
Show InChI InChI=1S/C23H24F2N4O3S/c1-5-6-9-32-20-13-27-19(12-28-20)18(25)11-15-7-8-17(24)16(10-15)23(4)14-33(30,31)22(2,3)21(26)29-23/h7-8,10-13H,9,14H2,1-4H3,(H2,26,29)/b18-11-/t23-/m0/s1
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Amgen Inc.

US Patent


Assay Description
The cell-based assay measures inhibition or reduction of Aβ40 in conditioned medium of test compound treated cells expressing amyloid precursor ...


US Patent US11021493 (2021)

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


(Homo sapiens (Human))
BDBM501357
PNG
(US11021493, Example 276)
Show SMILES CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2ncc(cc2Cl)C#N)cc(F)c1F
Show InChI InChI=1S/C19H15ClF3N5O2S/c1-19(9-31(29,30)28(2)18(25)27-19)12-3-10(5-14(21)16(12)23)6-15(22)17-13(20)4-11(7-24)8-26-17/h3-6,8H,9H2,1-2H3,(H2,25,27)/b15-6-/t19-/m0/s1
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Amgen Inc.

US Patent


Assay Description
The cDNAs for both human recombinant BACE1 and 2 with C-terminal 6-His Tags were cloned into transient protein expression vectors, which were subsequ...


US Patent US11021493 (2021)

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


(Homo sapiens (Human))
BDBM501188
PNG
(US11021493, Example 107 | US11021493, Example 275)
Show SMILES CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2ccc(cn2)C#N)cc(F)c1F
Show InChI InChI=1S/C19H16F3N5O2S/c1-19(10-30(28,29)27(2)18(24)26-19)13-5-12(7-15(21)17(13)22)6-14(20)16-4-3-11(8-23)9-25-16/h3-7,9H,10H2,1-2H3,(H2,24,26)/b14-6-/t19-/m0/s1
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Amgen Inc.

US Patent


Assay Description
The cell-based assay measures inhibition or reduction of Aβ40 in conditioned medium of test compound treated cells expressing amyloid precursor ...


US Patent US11021493 (2021)

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


(Homo sapiens (Human))
BDBM501184
PNG
(US11021493, Example 103)
Show SMILES C[C@]1(CS(=O)(=O)C2(CCC2)C(N)=N1)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F
Show InChI InChI=1S/C22H20F2N4O2S/c1-21(13-31(29,30)22(7-2-8-22)20(26)28-21)16-9-14(3-5-17(16)23)10-18(24)19-6-4-15(11-25)12-27-19/h3-6,9-10,12H,2,7-8,13H2,1H3,(H2,26,28)/b18-10-/t21-/m0/s1
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Amgen Inc.

US Patent


Assay Description
The cDNAs for both human recombinant BACE1 and 2 with C-terminal 6-His Tags were cloned into transient protein expression vectors, which were subsequ...


US Patent US11021493 (2021)

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


(Homo sapiens (Human))
BDBM50510783
PNG
(CHEMBL4470897 | US11021493, Example 123)
Show SMILES CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)ccc1F
Show InChI InChI=1S/C22H22F2N4O3S/c1-5-8-31-19-12-26-18(11-27-19)17(24)10-14-6-7-16(23)15(9-14)22(4)13-32(29,30)21(2,3)20(25)28-22/h1,6-7,9-12H,8,13H2,2-4H3,(H2,25,28)/b17-10-/t22-/m0/s1
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Amgen Inc.

US Patent


Assay Description
The cell-based assay measures inhibition or reduction of Aβ40 in conditioned medium of test compound treated cells expressing amyloid precursor ...


US Patent US11021493 (2021)

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


(Homo sapiens (Human))
BDBM501192
PNG
(US11021493, Example 111 | US11021493, Example 143 ...)
Show SMILES CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(Cl)cn2)ccc1F
Show InChI InChI=1S/C17H16ClF2N5O2S/c1-17(9-28(26,27)25(2)16(21)24-17)11-5-10(3-4-12(11)19)6-13(20)14-7-23-15(18)8-22-14/h3-8H,9H2,1-2H3,(H2,21,24)/b13-6-/t17-/m0/s1
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Amgen Inc.

US Patent


Assay Description
The cDNAs for both human recombinant BACE1 and 2 with C-terminal 6-His Tags were cloned into transient protein expression vectors, which were subsequ...


US Patent US11021493 (2021)

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


(Homo sapiens (Human))
BDBM501350
PNG
(US11021493, Example 269)
Show SMILES CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2ncc(cc2Cl)C#N)ccc1F
Show InChI InChI=1S/C19H16ClF2N5O2S/c1-19(10-30(28,29)27(2)18(24)26-19)13-5-11(3-4-15(13)21)7-16(22)17-14(20)6-12(8-23)9-25-17/h3-7,9H,10H2,1-2H3,(H2,24,26)/b16-7-/t19-/m0/s1
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Amgen Inc.

US Patent


Assay Description
The cDNAs for both human recombinant BACE1 and 2 with C-terminal 6-His Tags were cloned into transient protein expression vectors, which were subsequ...


US Patent US11021493 (2021)

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


(Homo sapiens (Human))
BDBM50510765
PNG
(CHEMBL4440849 | US11021493, Example 112)
Show SMILES CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)ccc1F
Show InChI InChI=1S/C20H19F2N5O3S/c1-4-7-30-18-11-24-17(10-25-18)16(22)9-13-5-6-15(21)14(8-13)20(2)12-31(28,29)27(3)19(23)26-20/h1,5-6,8-11H,7,12H2,2-3H3,(H2,23,26)/b16-9-/t20-/m0/s1
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Amgen Inc.

US Patent


Assay Description
The cDNAs for both human recombinant BACE1 and 2 with C-terminal 6-His Tags were cloned into transient protein expression vectors, which were subsequ...


US Patent US11021493 (2021)

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


(Homo sapiens (Human))
BDBM501240
PNG
(US11021493, Example 159)
Show SMILES CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(Cl)cn2)ccc1F
Show InChI InChI=1S/C19H19ClF2N4O2S/c1-18(2)17(23)26-19(3,10-29(18,27)28)12-6-11(4-5-13(12)21)7-14(22)15-8-25-16(20)9-24-15/h4-9H,10H2,1-3H3,(H2,23,26)/b14-7-/t19-/m0/s1
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Amgen Inc.

US Patent


Assay Description
The cDNAs for both human recombinant BACE1 and 2 with C-terminal 6-His Tags were cloned into transient protein expression vectors, which were subsequ...


US Patent US11021493 (2021)

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


(Homo sapiens (Human))
BDBM501259
PNG
(US11021493, Example 178)
Show SMILES CC[C@H](Oc1cnc(cn1)C(\F)=C\c1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(N)=N1)C#C
Show InChI InChI=1S/C24H26F2N4O3S/c1-6-16(7-2)33-21-13-28-20(12-29-21)19(26)11-15-8-9-18(25)17(10-15)24(5)14-34(31,32)23(3,4)22(27)30-24/h1,8-13,16H,7,14H2,2-5H3,(H2,27,30)/b19-11-/t16-,24+/m1/s1
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Amgen Inc.

US Patent


Assay Description
The cDNAs for both human recombinant BACE1 and 2 with C-terminal 6-His Tags were cloned into transient protein expression vectors, which were subsequ...


US Patent US11021493 (2021)

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


(Homo sapiens (Human))
BDBM501329
PNG
(US11021493, Example 248)
Show SMILES CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(cn2)C#CC2CC2)ccc1F
Show InChI InChI=1S/C22H21F2N5O2S/c1-22(13-32(30,31)29(2)21(25)28-22)17-9-15(6-8-18(17)23)10-19(24)20-12-26-16(11-27-20)7-5-14-3-4-14/h6,8-12,14H,3-4,13H2,1-2H3,(H2,25,28)/b19-10-/t22-/m0/s1
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Amgen Inc.

US Patent


Assay Description
The cDNAs for both human recombinant BACE1 and 2 with C-terminal 6-His Tags were cloned into transient protein expression vectors, which were subsequ...


US Patent US11021493 (2021)

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


(Homo sapiens (Human))
BDBM501185
PNG
(US11021493, Example 104)
Show SMILES CN1C(NC(=O)OC(C)(C)C)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2ccc(Cl)cn2)ccc1F
Show InChI InChI=1S/C23H25ClF2N4O4S/c1-22(2,3)34-21(31)28-20-29-23(4,13-35(32,33)30(20)5)16-10-14(6-8-17(16)25)11-18(26)19-9-7-15(24)12-27-19/h6-12H,13H2,1-5H3,(H,28,29,31)/b18-11-/t23-/m0/s1
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Amgen Inc.

US Patent


Assay Description
The cDNAs for both human recombinant BACE1 and 2 with C-terminal 6-His Tags were cloned into transient protein expression vectors, which were subsequ...


US Patent US11021493 (2021)

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


(Homo sapiens (Human))
BDBM501189
PNG
(US11021493, Example 108)
Show SMILES C[C@@]1(N=C(N)[C@]2(CF)CC[C@@H]1S2(=O)=O)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)ccc1F
Show InChI InChI=1S/C23H21F3N4O3S/c1-3-8-33-20-12-28-18(11-29-20)17(26)10-14-4-5-16(25)15(9-14)22(2)19-6-7-23(13-24,21(27)30-22)34(19,31)32/h1,4-5,9-12,19H,6-8,13H2,2H3,(H2,27,30)/b17-10-/t19-,22+,23+/m0/s1
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Amgen Inc.

US Patent


Assay Description
The cDNAs for both human recombinant BACE1 and 2 with C-terminal 6-His Tags were cloned into transient protein expression vectors, which were subsequ...


US Patent US11021493 (2021)

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


(Homo sapiens (Human))
BDBM501230
PNG
(US11021493, Example 149)
Show SMILES C[C@]1(CS(=O)(=O)C2(CCC2)C(N)=N1)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)ccc1F
Show InChI InChI=1S/C23H22F2N4O3S/c1-3-9-32-20-13-27-19(12-28-20)18(25)11-15-5-6-17(24)16(10-15)22(2)14-33(30,31)23(7-4-8-23)21(26)29-22/h1,5-6,10-13H,4,7-9,14H2,2H3,(H2,26,29)/b18-11-/t22-/m0/s1
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Amgen Inc.

US Patent


Assay Description
The cell-based assay measures inhibition or reduction of Aβ40 in conditioned medium of test compound treated cells expressing amyloid precursor ...


US Patent US11021493 (2021)

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


(Homo sapiens (Human))
BDBM501188
PNG
(US11021493, Example 107 | US11021493, Example 275)
Show SMILES CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2ccc(cn2)C#N)cc(F)c1F
Show InChI InChI=1S/C19H16F3N5O2S/c1-19(10-30(28,29)27(2)18(24)26-19)13-5-12(7-15(21)17(13)22)6-14(20)16-4-3-11(8-23)9-25-16/h3-7,9H,10H2,1-2H3,(H2,24,26)/b14-6-/t19-/m0/s1
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Amgen Inc.

US Patent


Assay Description
The cDNAs for both human recombinant BACE1 and 2 with C-terminal 6-His Tags were cloned into transient protein expression vectors, which were subsequ...


US Patent US11021493 (2021)

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


(Homo sapiens (Human))
BDBM501195
PNG
(US11021493, Example 114)
Show SMILES CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2ccc(Cl)cn2)ccc1F
Show InChI InChI=1S/C20H20ClF2N3O2S/c1-19(2)18(24)26-20(3,11-29(19,27)28)14-8-12(4-6-15(14)22)9-16(23)17-7-5-13(21)10-25-17/h4-10H,11H2,1-3H3,(H2,24,26)/b16-9-/t20-/m0/s1
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Amgen Inc.

US Patent


Assay Description
The cDNAs for both human recombinant BACE1 and 2 with C-terminal 6-His Tags were cloned into transient protein expression vectors, which were subsequ...


US Patent US11021493 (2021)

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


(Homo sapiens (Human))
BDBM501197
PNG
(US11021493, Example 116)
Show SMILES CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(OCc3ncco3)cn2)ccc1F
Show InChI InChI=1S/C21H20F2N6O4S/c1-21(12-34(30,31)29(2)20(24)28-21)14-7-13(3-4-15(14)22)8-16(23)17-9-27-18(10-26-17)33-11-19-25-5-6-32-19/h3-10H,11-12H2,1-2H3,(H2,24,28)/b16-8-/t21-/m0/s1
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Amgen Inc.

US Patent


Assay Description
The cDNAs for both human recombinant BACE1 and 2 with C-terminal 6-His Tags were cloned into transient protein expression vectors, which were subsequ...


US Patent US11021493 (2021)

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


(Homo sapiens (Human))
BDBM501247
PNG
(US11021493, Example 166)
Show SMILES CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(OCc3ncco3)cn2)cc(F)c1F
Show InChI InChI=1S/C21H19F3N6O4S/c1-21(11-35(31,32)30(2)20(25)29-21)13-5-12(7-15(23)19(13)24)6-14(22)16-8-28-17(9-27-16)34-10-18-26-3-4-33-18/h3-9H,10-11H2,1-2H3,(H2,25,29)/b14-6-/t21-/m0/s1
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Amgen Inc.

US Patent


Assay Description
The cell-based assay measures inhibition or reduction of Aβ40 in conditioned medium of test compound treated cells expressing amyloid precursor ...


US Patent US11021493 (2021)

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


(Homo sapiens (Human))
BDBM501280
PNG
(US11021493, Example 199)
Show SMILES CC[C@@H](Oc1cnc(cn1)C(\F)=C\c1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(N)=N1)C#CC
Show InChI InChI=1S/C25H28F2N4O3S/c1-6-8-17(7-2)34-22-14-29-21(13-30-22)20(27)12-16-9-10-19(26)18(11-16)25(5)15-35(32,33)24(3,4)23(28)31-25/h9-14,17H,7,15H2,1-5H3,(H2,28,31)/b20-12-/t17-,25+/m1/s1
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Amgen Inc.

US Patent


Assay Description
The cDNAs for both human recombinant BACE1 and 2 with C-terminal 6-His Tags were cloned into transient protein expression vectors, which were subsequ...


US Patent US11021493 (2021)

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


(Homo sapiens (Human))
BDBM501318
PNG
(US11021493, Example 237)
Show SMILES CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(OCc3nc(C)cs3)cn2)cc(F)c1F
Show InChI InChI=1S/C22H21F3N6O3S2/c1-12-10-35-19(29-12)9-34-18-8-27-17(7-28-18)15(23)5-13-4-14(20(25)16(24)6-13)22(2)11-36(32,33)31(3)21(26)30-22/h4-8,10H,9,11H2,1-3H3,(H2,26,30)/b15-5-/t22-/m0/s1
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Amgen Inc.

US Patent


Assay Description
The cDNAs for both human recombinant BACE1 and 2 with C-terminal 6-His Tags were cloned into transient protein expression vectors, which were subsequ...


US Patent US11021493 (2021)

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


(Homo sapiens (Human))
BDBM501326
PNG
(US11021493, Example 245)
Show SMILES CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2ncc(cc2C)C#N)ccc1F
Show InChI InChI=1S/C20H19F2N5O2S/c1-12-6-14(9-23)10-25-18(12)17(22)8-13-4-5-16(21)15(7-13)20(2)11-30(28,29)27(3)19(24)26-20/h4-8,10H,11H2,1-3H3,(H2,24,26)/b17-8-/t20-/m0/s1
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Amgen Inc.

US Patent


Assay Description
The cell-based assay measures inhibition or reduction of Aβ40 in conditioned medium of test compound treated cells expressing amyloid precursor ...


US Patent US11021493 (2021)

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


(Homo sapiens (Human))
BDBM501353
PNG
(US11021493, Example 272)
Show SMILES CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2ncc(cc2Cl)C(F)(F)F)cc(F)c1F
Show InChI InChI=1S/C19H15ClF6N4O2S/c1-18(8-33(31,32)30(2)17(27)29-18)11-3-9(4-13(21)15(11)23)5-14(22)16-12(20)6-10(7-28-16)19(24,25)26/h3-7H,8H2,1-2H3,(H2,27,29)/b14-5-/t18-/m0/s1
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Amgen Inc.

US Patent


Assay Description
The cDNAs for both human recombinant BACE1 and 2 with C-terminal 6-His Tags were cloned into transient protein expression vectors, which were subsequ...


US Patent US11021493 (2021)

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


(Homo sapiens (Human))
BDBM501194
PNG
(US11021493, Example 113)
Show SMILES CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F
Show InChI InChI=1S/C21H20F2N4O2S/c1-20(2)19(25)27-21(3,12-30(20,28)29)15-8-13(4-6-16(15)22)9-17(23)18-7-5-14(10-24)11-26-18/h4-9,11H,12H2,1-3H3,(H2,25,27)/b17-9-/t21-/m0/s1
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Amgen Inc.

US Patent


Assay Description
The cell-based assay measures inhibition or reduction of Aβ40 in conditioned medium of test compound treated cells expressing amyloid precursor ...


US Patent US11021493 (2021)

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


(Homo sapiens (Human))
BDBM501247
PNG
(US11021493, Example 166)
Show SMILES CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(OCc3ncco3)cn2)cc(F)c1F
Show InChI InChI=1S/C21H19F3N6O4S/c1-21(11-35(31,32)30(2)20(25)29-21)13-5-12(7-15(23)19(13)24)6-14(22)16-8-28-17(9-27-16)34-10-18-26-3-4-33-18/h3-9H,10-11H2,1-2H3,(H2,25,29)/b14-6-/t21-/m0/s1
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Amgen Inc.

US Patent


Assay Description
The cDNAs for both human recombinant BACE1 and 2 with C-terminal 6-His Tags were cloned into transient protein expression vectors, which were subsequ...


US Patent US11021493 (2021)

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


(Homo sapiens (Human))
BDBM501209
PNG
(US11021493, Example 128)
Show SMILES C[C@H](Oc1cnc(cn1)C(\F)=C\c1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@@]2(CF)CC[C@@H]1S2(=O)=O)C#C
Show InChI InChI=1S/C24H23F3N4O3S/c1-4-14(2)34-21-12-29-19(11-30-21)18(27)10-15-5-6-17(26)16(9-15)23(3)20-7-8-24(13-25,22(28)31-23)35(20,32)33/h1,5-6,9-12,14,20H,7-8,13H2,2-3H3,(H2,28,31)/b18-10-/t14-,20-,23+,24-/m0/s1
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Amgen Inc.

US Patent


Assay Description
The cDNAs for both human recombinant BACE1 and 2 with C-terminal 6-His Tags were cloned into transient protein expression vectors, which were subsequ...


US Patent US11021493 (2021)

More data for this
Ligand-Target Pair
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