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Patent code US10889581

Compile Data Set for Download or QSAR
Found 120 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))
BDBM477925
PNG
(6-((3-((1S,5S,6S)-3-amino-5-methyl-1-(pyrrolidine-...)
Show SMILES Cc1cc(cnc1C#Cc1ccc(F)c(c1)[C@@]1(C)N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CCCC1)C#N
Show InChI InChI=1S/C26H24FN5OS/c1-16-11-18(14-28)15-30-21(16)8-6-17-5-7-20(27)19(12-17)25(2)22-13-26(22,34-24(29)31-25)23(33)32-9-3-4-10-32/h5,7,11-12,15,22H,3-4,9-10,13H2,1-2H3,(H2,29,31)/t22-,25+,26-/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 US10889581 (2021)

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


(Homo sapiens (Human))
BDBM477924
PNG
((1S,5S,6S)-3-amino-5-(5-((5-cyano-3-methylpyridin-...)
Show SMILES CN(C)C(=O)[C@]12C[C@H]1[C@](CF)(N=C(N)S2)c1cc(ccc1F)C#Cc1ncc(cc1C)C#N
Show InChI InChI=1S/C24H21F2N5OS/c1-14-8-16(11-27)12-29-19(14)7-5-15-4-6-18(26)17(9-15)23(13-25)20-10-24(20,21(32)31(2)3)33-22(28)30-23/h4,6,8-9,12,20H,10,13H2,1-3H3,(H2,28,30)/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 US10889581 (2021)

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


(Homo sapiens (Human))
BDBM477920
PNG
((1S,5S,6S)-3-amino-5-(5-((5-cyano-3-methyl-2-pyrid...)
Show SMILES CN(C)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(ccc1F)C#Cc1ncc(cc1C)C#N
Show InChI InChI=1S/C24H22FN5OS/c1-14-9-16(12-26)13-28-19(14)8-6-15-5-7-18(25)17(10-15)23(2)20-11-24(20,21(31)30(3)4)32-22(27)29-23/h5,7,9-10,13,20H,11H2,1-4H3,(H2,27,29)/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 US10889581 (2021)

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


(Homo sapiens (Human))
BDBM477913
PNG
(6-((3-((1R,5S,6S)-3-amino-5-(fluoromethyl)-1-((E)-...)
Show SMILES Cc1cc(cnc1C#Cc1ccc(F)c(c1)[C@@]1(CF)N=C(N)S[C@]2(C[C@@H]12)\C=C\C(=O)N1CCOCC1)C#N
Show InChI InChI=1S/C28H25F2N5O2S/c1-18-12-20(15-31)16-33-23(18)5-3-19-2-4-22(30)21(13-19)28(17-29)24-14-27(24,38-26(32)34-28)7-6-25(36)35-8-10-37-11-9-35/h2,4,6-7,12-13,16,24H,8-11,14,17H2,1H3,(H2,32,34)/b7-6+/t24-,27+,28-/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 US10889581 (2021)

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


(Homo sapiens (Human))
BDBM477915
PNG
((E)-3-((1R,5S,6S)-3-amino-5-(2-fluoro-5-((3-methyl...)
Show SMILES Cc1cc(sn1)C#Cc1ccc(F)c(c1)[C@@]1(CF)N=C(N)S[C@]2(C[C@@H]12)\C=C\C(=O)N1CCOCC1
Show InChI InChI=1S/C25H24F2N4O2S2/c1-16-12-18(35-30-16)4-2-17-3-5-20(27)19(13-17)25(15-26)21-14-24(21,34-23(28)29-25)7-6-22(32)31-8-10-33-11-9-31/h3,5-7,12-13,21H,8-11,14-15H2,1H3,(H2,28,29)/b7-6+/t21-,24+,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 US10889581 (2021)

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


(Homo sapiens (Human))
BDBM477926
PNG
((1S,5S,6S)-3-amino-5-(5-((4-cyanophenyl)ethynyl)-2...)
Show SMILES CN(C)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(ccc1F)C#Cc1ccc(cc1)C#N
Show InChI InChI=1S/C24H21FN4OS/c1-23(20-13-24(20,21(30)29(2)3)31-22(27)28-23)18-12-16(10-11-19(18)25)7-4-15-5-8-17(14-26)9-6-15/h5-6,8-12,20H,13H2,1-3H3,(H2,27,28)/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 US10889581 (2021)

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


(Homo sapiens (Human))
BDBM477929
PNG
((1S,5S,6S)-3-amino-5-(5-(cyclopropylethynyl)-2-flu...)
Show SMILES CN(C)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(ccc1F)C#CC1CC1
Show InChI InChI=1S/C20H22FN3OS/c1-19(14-10-13(8-9-15(14)21)7-6-12-4-5-12)16-11-20(16,17(25)24(2)3)26-18(22)23-19/h8-10,12,16H,4-5,11H2,1-3H3,(H2,22,23)/t16-,19+,20-/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 US10889581 (2021)

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


(Homo sapiens (Human))
BDBM477918
PNG
(2-((3-((1R,5S,6S)-3-amino-5-(fluoromethyl)-1-((E)-...)
Show SMILES NC1=N[C@@](CF)([C@@H]2C[C@@]2(S1)\C=C\C(=O)N1CCOCC1)c1cc(ccc1F)C#Cc1ncc(cn1)C#N
Show InChI InChI=1S/C26H22F2N6O2S/c27-16-26(19-11-17(1-3-20(19)28)2-4-22-31-14-18(13-29)15-32-22)21-12-25(21,37-24(30)33-26)6-5-23(35)34-7-9-36-10-8-34/h1,3,5-6,11,14-15,21H,7-10,12,16H2,(H2,30,33)/b6-5+/t21-,25+,26-/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 US10889581 (2021)

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


(Homo sapiens (Human))
BDBM477919
PNG
(4-((3-((1R,5S,6S)-3-amino-5-(fluoromethyl)-1-((E)-...)
Show SMILES NC1=N[C@@](CF)([C@@H]2C[C@@]2(S1)\C=C\C(=O)N1CCOCC1)c1cc(ccc1F)C#Cc1ccc(cc1)C#N
Show InChI InChI=1S/C28H24F2N4O2S/c29-18-28(22-15-20(7-8-23(22)30)4-1-19-2-5-21(17-31)6-3-19)24-16-27(24,37-26(32)33-28)10-9-25(35)34-11-13-36-14-12-34/h2-3,5-10,15,24H,11-14,16,18H2,(H2,32,33)/b10-9+/t24-,27+,28-/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 US10889581 (2021)

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


(Homo sapiens (Human))
BDBM477917
PNG
(6-((3-((1S,5S,6S)-3-amino-5-(fluoromethyl)-1-(3-mo...)
Show SMILES Cc1cc(cnc1C#Cc1ccc(F)c(c1)[C@@]1(CF)N=C(N)S[C@@]2(CCC(=O)N3CCOCC3)C[C@@H]12)C#N
Show InChI InChI=1S/C28H27F2N5O2S/c1-18-12-20(15-31)16-33-23(18)5-3-19-2-4-22(30)21(13-19)28(17-29)24-14-27(24,38-26(32)34-28)7-6-25(36)35-8-10-37-11-9-35/h2,4,12-13,16,24H,6-11,14,17H2,1H3,(H2,32,34)/t24-,27+,28-/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 US10889581 (2021)

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


(Homo sapiens (Human))
BDBM477934
PNG
(6-((5-((1S,5S)-3-amino-5-methyl-1-(pyrrolidine-1-c...)
Show SMILES Cc1cc(cnc1C#Cc1cnc(F)c(c1)[C@@]1(C)N=C(N)S[C@]2(CC12)C(=O)N1CCCC1)C#N
Show InChI InChI=1S/C25H23FN6OS/c1-15-9-17(12-27)14-29-19(15)6-5-16-10-18(21(26)30-13-16)24(2)20-11-25(20,34-23(28)31-24)22(33)32-7-3-4-8-32/h9-10,13-14,20H,3-4,7-8,11H2,1-2H3,(H2,28,31)/t20?,24-,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 US10889581 (2021)

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


(Homo sapiens (Human))
BDBM477914
PNG
((E)-3-((1R,5S,6S)-3-amino-5-(5-((5-chloropyrimidin...)
Show SMILES NC1=N[C@@](CF)([C@@H]2C[C@@]2(S1)\C=C\C(=O)N1CCOCC1)c1cc(ccc1F)C#Cc1ncc(Cl)cn1
Show InChI InChI=1S/C25H22ClF2N5O2S/c26-17-13-30-21(31-14-17)4-2-16-1-3-19(28)18(11-16)25(15-27)20-12-24(20,36-23(29)32-25)6-5-22(34)33-7-9-35-10-8-33/h1,3,5-6,11,13-14,20H,7-10,12,15H2,(H2,29,32)/b6-5+/t20-,24+,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 US10889581 (2021)

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


(Homo sapiens (Human))
BDBM477915
PNG
((E)-3-((1R,5S,6S)-3-amino-5-(2-fluoro-5-((3-methyl...)
Show SMILES Cc1cc(sn1)C#Cc1ccc(F)c(c1)[C@@]1(CF)N=C(N)S[C@]2(C[C@@H]12)\C=C\C(=O)N1CCOCC1
Show InChI InChI=1S/C25H24F2N4O2S2/c1-16-12-18(35-30-16)4-2-17-3-5-20(27)19(13-17)25(15-26)21-14-24(21,34-23(28)29-25)7-6-22(32)31-8-10-33-11-9-31/h3,5-7,12-13,21H,8-11,14-15H2,1H3,(H2,28,29)/b7-6+/t21-,24+,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 US10889581 (2021)

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


(Homo sapiens (Human))
BDBM477908
PNG
(6-((3-((1R,5S,6S)-3-amino-5-(fluoromethyl)-1-((E)-...)
Show SMILES NC1=N[C@@](CF)([C@@H]2C[C@@]2(S1)\C=C\C(=O)N1CCOCC1)c1cc(ccc1F)C#Cc1ccc(cn1)C#N
Show InChI InChI=1S/C27H23F2N5O2S/c28-17-27(21-13-18(3-6-22(21)29)1-4-20-5-2-19(15-30)16-32-20)23-14-26(23,37-25(31)33-27)8-7-24(35)34-9-11-36-12-10-34/h2-3,5-8,13,16,23H,9-12,14,17H2,(H2,31,33)/b8-7+/t23-,26+,27-/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 US10889581 (2021)

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


(Homo sapiens (Human))
BDBM477929
PNG
((1S,5S,6S)-3-amino-5-(5-(cyclopropylethynyl)-2-flu...)
Show SMILES CN(C)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(ccc1F)C#CC1CC1
Show InChI InChI=1S/C20H22FN3OS/c1-19(14-10-13(8-9-15(14)21)7-6-12-4-5-12)16-11-20(16,17(25)24(2)3)26-18(22)23-19/h8-10,12,16H,4-5,11H2,1-3H3,(H2,22,23)/t16-,19+,20-/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 US10889581 (2021)

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


(Homo sapiens (Human))
BDBM477914
PNG
((E)-3-((1R,5S,6S)-3-amino-5-(5-((5-chloropyrimidin...)
Show SMILES NC1=N[C@@](CF)([C@@H]2C[C@@]2(S1)\C=C\C(=O)N1CCOCC1)c1cc(ccc1F)C#Cc1ncc(Cl)cn1
Show InChI InChI=1S/C25H22ClF2N5O2S/c26-17-13-30-21(31-14-17)4-2-16-1-3-19(28)18(11-16)25(15-27)20-12-24(20,36-23(29)32-25)6-5-22(34)33-7-9-35-10-8-33/h1,3,5-6,11,13-14,20H,7-10,12,15H2,(H2,29,32)/b6-5+/t20-,24+,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 US10889581 (2021)

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


(Homo sapiens (Human))
BDBM477923
PNG
((1S,5S,6S)-3-amino-5-(5-((5-cyano-3-methylpyridin-...)
Show SMILES Cc1cc(cnc1C#Cc1ccc(F)c(c1)[C@@]1(C)N=C(N)S[C@]2(C[C@@H]12)C#N)C#N
Show InChI InChI=1S/C22H16FN5S/c1-13-7-15(10-24)11-27-18(13)6-4-14-3-5-17(23)16(8-14)21(2)19-9-22(19,12-25)29-20(26)28-21/h3,5,7-8,11,19H,9H2,1-2H3,(H2,26,28)/t19-,21+,22+/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 US10889581 (2021)

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


(Homo sapiens (Human))
BDBM477932
PNG
(6-((3-((1S,5S)-3-amino-1-(methoxymethyl)-5-methyl-...)
Show SMILES COC[C@]12CC1[C@](C)(N=C(N)S2)c1cc(ccc1F)C#Cc1ncc(cc1C)C#N
Show InChI InChI=1S/C23H21FN4OS/c1-14-8-16(11-25)12-27-19(14)7-5-15-4-6-18(24)17(9-15)22(2)20-10-23(20,13-29-3)30-21(26)28-22/h4,6,8-9,12,20H,10,13H2,1-3H3,(H2,26,28)/t20?,22-,23-/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 US10889581 (2021)

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


(Homo sapiens (Human))
BDBM477909
PNG
((E)-3-((1R,5S,6S)-3-amino-5-(5-((5-cyanopyridin-2-...)
Show SMILES CN(C)C(=O)\C=C\[C@]12C[C@H]1[C@](CF)(N=C(N)S2)c1cc(ccc1F)C#Cc1ccc(cn1)C#N
Show InChI InChI=1S/C25H21F2N5OS/c1-32(2)22(33)9-10-24-12-21(24)25(15-26,31-23(29)34-24)19-11-16(5-8-20(19)27)3-6-18-7-4-17(13-28)14-30-18/h4-5,7-11,14,21H,12,15H2,1-2H3,(H2,29,31)/b10-9+/t21-,24+,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 US10889581 (2021)

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


(Homo sapiens (Human))
BDBM477921
PNG
(6-((3-((1R,5S,6S)-3-amino-5-(fluoromethyl)-1-((E)-...)
Show SMILES NC1=N[C@@](CF)([C@@H]2C[C@@]2(S1)\C=C\C(=O)N1CCOCC1)c1cc(ccc1F)C#Cc1ncc(cc1F)C#N
Show InChI InChI=1S/C27H22F3N5O2S/c28-16-27(19-11-17(1-3-20(19)29)2-4-22-21(30)12-18(14-31)15-33-22)23-13-26(23,38-25(32)34-27)6-5-24(36)35-7-9-37-10-8-35/h1,3,5-6,11-12,15,23H,7-10,13,16H2,(H2,32,34)/b6-5+/t23-,26+,27-/m1/s1
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n/an/a 37n/an/an/an/an/an/a



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 US10889581 (2021)

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


(Homo sapiens (Human))
BDBM477933
PNG
(6-((5-((1S,5S)-3-amino-5-methyl-1-(morpholine-4-ca...)
Show SMILES Cc1cc(cnc1C#Cc1cnc(F)c(c1)[C@@]1(C)N=C(N)S[C@]2(CC12)C(=O)N1CCOCC1)C#N
Show InChI InChI=1S/C25H23FN6O2S/c1-15-9-17(12-27)14-29-19(15)4-3-16-10-18(21(26)30-13-16)24(2)20-11-25(20,35-23(28)31-24)22(33)32-5-7-34-8-6-32/h9-10,13-14,20H,5-8,11H2,1-2H3,(H2,28,31)/t20?,24-,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 US10889581 (2021)

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


(Homo sapiens (Human))
BDBM477901
PNG
(6-((3-((1S,5S,6S)-3-amino-1,5-bis(fluoromethyl)-2-...)
Show SMILES Cc1cc(cnc1C#Cc1ccc(F)c(c1)[C@@]1(CF)N=C(N)S[C@@]2(CF)C[C@@H]12)C#N
Show InChI InChI=1S/C22H17F3N4S/c1-13-6-15(9-26)10-28-18(13)5-3-14-2-4-17(25)16(7-14)22(12-24)19-8-21(19,11-23)30-20(27)29-22/h2,4,6-7,10,19H,8,11-12H2,1H3,(H2,27,29)/t19-,21-,22-/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 US10889581 (2021)

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


(Homo sapiens (Human))
BDBM477928
PNG
((1S,5S,6S)-3-amino-5-(2-fluoro-5-((3-methyl-5-(oxa...)
Show SMILES CN(C)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(ccc1F)C#Cc1ncc(OCc2ncco2)cc1C
Show InChI InChI=1S/C27H26FN5O3S/c1-16-11-18(36-15-23-30-9-10-35-23)14-31-21(16)8-6-17-5-7-20(28)19(12-17)26(2)22-13-27(22,24(34)33(3)4)37-25(29)32-26/h5,7,9-12,14,22H,13,15H2,1-4H3,(H2,29,32)/t22-,26+,27-/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 US10889581 (2021)

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


(Homo sapiens (Human))
BDBM477907
PNG
(6-((3-((1S,5S,6R)-3-amino-7,7-difluoro-1-(hydroxym...)
Show SMILES C[C@@]1(N=C(N)S[C@]2(CO)[C@H]1C2(F)F)c1cc(ccc1F)C#Cc1ccc(cn1)C#N
Show InChI InChI=1S/C21H15F3N4OS/c1-19(17-20(11-29,21(17,23)24)30-18(26)28-19)15-8-12(4-7-16(15)22)2-5-14-6-3-13(9-25)10-27-14/h3-4,6-8,10,17,29H,11H2,1H3,(H2,26,28)/t17-,19+,20+/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 US10889581 (2021)

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


(Homo sapiens (Human))
BDBM477904
PNG
(6-((3-((1R,5S,6S)-3-amino-1-((E)-2-cyanovinyl)-5-(...)
Show SMILES NC1=N[C@@](CF)([C@@H]2C[C@@]2(S1)\C=C\C#N)c1cc(ccc1F)C#Cc1ccc(cn1)C#N
Show InChI InChI=1S/C23H15F2N5S/c24-14-23(20-11-22(20,8-1-9-26)31-21(28)30-23)18-10-15(4-7-19(18)25)2-5-17-6-3-16(12-27)13-29-17/h1,3-4,6-8,10,13,20H,11,14H2,(H2,28,30)/b8-1+/t20-,22+,23-/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 US10889581 (2021)

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


(Homo sapiens (Human))
BDBM477918
PNG
(2-((3-((1R,5S,6S)-3-amino-5-(fluoromethyl)-1-((E)-...)
Show SMILES NC1=N[C@@](CF)([C@@H]2C[C@@]2(S1)\C=C\C(=O)N1CCOCC1)c1cc(ccc1F)C#Cc1ncc(cn1)C#N
Show InChI InChI=1S/C26H22F2N6O2S/c27-16-26(19-11-17(1-3-20(19)28)2-4-22-31-14-18(13-29)15-32-22)21-12-25(21,37-24(30)33-26)6-5-23(35)34-7-9-36-10-8-34/h1,3,5-6,11,14-15,21H,7-10,12,16H2,(H2,30,33)/b6-5+/t21-,25+,26-/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 US10889581 (2021)

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


(Homo sapiens (Human))
BDBM477916
PNG
(6-((3-((1S,5S,6S)-3-amino-5-(fluoromethyl)-1-(3-mo...)
Show SMILES NC1=N[C@@](CF)([C@@H]2C[C@]2(CCC(=O)N2CCOCC2)S1)c1cc(ccc1F)C#Cc1ccc(cn1)C#N
Show InChI InChI=1S/C27H25F2N5O2S/c28-17-27(21-13-18(3-6-22(21)29)1-4-20-5-2-19(15-30)16-32-20)23-14-26(23,37-25(31)33-27)8-7-24(35)34-9-11-36-12-10-34/h2-3,5-6,13,16,23H,7-12,14,17H2,(H2,31,33)/t23-,26+,27-/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 US10889581 (2021)

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


(Homo sapiens (Human))
BDBM477921
PNG
(6-((3-((1R,5S,6S)-3-amino-5-(fluoromethyl)-1-((E)-...)
Show SMILES NC1=N[C@@](CF)([C@@H]2C[C@@]2(S1)\C=C\C(=O)N1CCOCC1)c1cc(ccc1F)C#Cc1ncc(cc1F)C#N
Show InChI InChI=1S/C27H22F3N5O2S/c28-16-27(19-11-17(1-3-20(19)29)2-4-22-21(30)12-18(14-31)15-33-22)23-13-26(23,38-25(32)34-27)6-5-24(36)35-7-9-37-10-8-35/h1,3,5-6,11-12,15,23H,7-10,13,16H2,(H2,32,34)/b6-5+/t23-,26+,27-/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 US10889581 (2021)

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


(Homo sapiens (Human))
BDBM477906
PNG
(2-((3-((1S,5S,6S)-3-amino-1,5-bis(fluoromethyl)-2-...)
Show SMILES NC1=N[C@@](CF)([C@@H]2C[C@]2(CF)S1)c1cc(ccc1F)C#Cc1ncc(s1)C#N
Show InChI InChI=1S/C19H13F3N4S2/c20-9-18-6-15(18)19(10-21,26-17(24)28-18)13-5-11(1-3-14(13)22)2-4-16-25-8-12(7-23)27-16/h1,3,5,8,15H,6,9-10H2,(H2,24,26)/t15-,18-,19-/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 US10889581 (2021)

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


(Homo sapiens (Human))
BDBM477924
PNG
((1S,5S,6S)-3-amino-5-(5-((5-cyano-3-methylpyridin-...)
Show SMILES CN(C)C(=O)[C@]12C[C@H]1[C@](CF)(N=C(N)S2)c1cc(ccc1F)C#Cc1ncc(cc1C)C#N
Show InChI InChI=1S/C24H21F2N5OS/c1-14-8-16(11-27)12-29-19(14)7-5-15-4-6-18(26)17(9-15)23(13-25)20-10-24(20,21(32)31(2)3)33-22(28)30-23/h4,6,8-9,12,20H,10,13H2,1-3H3,(H2,28,30)/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 US10889581 (2021)

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


(Homo sapiens (Human))
BDBM477935
PNG
((1S,5S,6S)-5-(5-((4-chloropyridin-2-yl)ethynyl)-2-...)
Show SMILES NC1=N[C@@](CF)([C@@H]2C[C@]2(CF)S1)c1cc(ccc1F)C#Cc1cc(Cl)ccn1
Show InChI InChI=1S/C20H15ClF3N3S/c21-13-5-6-26-14(8-13)3-1-12-2-4-16(24)15(7-12)20(11-23)17-9-19(17,10-22)28-18(25)27-20/h2,4-8,17H,9-11H2,(H2,25,27)/t17-,19-,20-/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 US10889581 (2021)

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


(Homo sapiens (Human))
BDBM477897
PNG
(6-((3-((1S,5S,6S)-3-amino-5-(fluoromethyl)-1-(hydr...)
Show SMILES NC1=N[C@@](CF)([C@@H]2C[C@]2(CO)S1)c1cc(ccc1F)C#Cc1ccc(cn1)C#N
Show InChI InChI=1S/C21H16F2N4OS/c22-11-21(18-8-20(18,12-28)29-19(25)27-21)16-7-13(3-6-17(16)23)1-4-15-5-2-14(9-24)10-26-15/h2-3,5-7,10,18,28H,8,11-12H2,(H2,25,27)/t18-,20-,21-/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 US10889581 (2021)

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


(Homo sapiens (Human))
BDBM477903
PNG
(6-((3-((1R,5S,6S)-3-amino-1-(cyanomethyl)-5-(fluor...)
Show SMILES NC1=N[C@@](CF)([C@@H]2C[C@]2(CC#N)S1)c1cc(ccc1F)C#Cc1ccc(cn1)C#N
Show InChI InChI=1S/C22H15F2N5S/c23-13-22(19-10-21(19,7-8-25)30-20(27)29-22)17-9-14(3-6-18(17)24)1-4-16-5-2-15(11-26)12-28-16/h2-3,5-6,9,12,19H,7,10,13H2,(H2,27,29)/t19-,21+,22-/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 US10889581 (2021)

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


(Homo sapiens (Human))
BDBM477900
PNG
(5-((3-((1S,5S,6S)-3-amino-1,5-bis(fluoromethyl)-2-...)
Show SMILES NC1=N[C@@](CF)([C@@H]2C[C@]2(CF)S1)c1cc(ccc1F)C#Cc1cnc(cn1)C#N
Show InChI InChI=1S/C20H14F3N5S/c21-10-19-6-17(19)20(11-22,28-18(25)29-19)15-5-12(2-4-16(15)23)1-3-13-8-27-14(7-24)9-26-13/h2,4-5,8-9,17H,6,10-11H2,(H2,25,28)/t17-,19-,20-/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 US10889581 (2021)

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


(Homo sapiens (Human))
BDBM477906
PNG
(2-((3-((1S,5S,6S)-3-amino-1,5-bis(fluoromethyl)-2-...)
Show SMILES NC1=N[C@@](CF)([C@@H]2C[C@]2(CF)S1)c1cc(ccc1F)C#Cc1ncc(s1)C#N
Show InChI InChI=1S/C19H13F3N4S2/c20-9-18-6-15(18)19(10-21,26-17(24)28-18)13-5-11(1-3-14(13)22)2-4-16-25-8-12(7-23)27-16/h1,3,5,8,15H,6,9-10H2,(H2,24,26)/t15-,18-,19-/m1/s1
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n/an/a 92n/an/an/an/an/an/a



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 US10889581 (2021)

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


(Homo sapiens (Human))
BDBM477902
PNG
((1S,5S,6S)-5-(5-((5-(but-2-yn-1-yloxy)pyridin-2-yl...)
Show SMILES CC#CCOc1ccc(nc1)C#Cc1ccc(F)c(c1)[C@@]1(CF)N=C(N)S[C@@]2(CF)C[C@@H]12
Show InChI InChI=1S/C24H20F3N3OS/c1-2-3-10-31-18-8-7-17(29-13-18)6-4-16-5-9-20(27)19(11-16)24(15-26)21-12-23(21,14-25)32-22(28)30-24/h5,7-9,11,13,21H,10,12,14-15H2,1H3,(H2,28,30)/t21-,23-,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 US10889581 (2021)

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


(Homo sapiens (Human))
BDBM477930
PNG
(6-((3-((1S,5S)-3-amino-1-(methoxymethyl)-5-methyl-...)
Show SMILES COC[C@]12CC1[C@](C)(N=C(N)S2)c1cc(ccc1F)C#Cc1ccc(cn1)C#N
Show InChI InChI=1S/C22H19FN4OS/c1-21(19-10-22(19,13-28-2)29-20(25)27-21)17-9-14(5-8-18(17)23)3-6-16-7-4-15(11-24)12-26-16/h4-5,7-9,12,19H,10,13H2,1-2H3,(H2,25,27)/t19?,21-,22-/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 US10889581 (2021)

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


(Homo sapiens (Human))
BDBM477920
PNG
((1S,5S,6S)-3-amino-5-(5-((5-cyano-3-methyl-2-pyrid...)
Show SMILES CN(C)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(ccc1F)C#Cc1ncc(cc1C)C#N
Show InChI InChI=1S/C24H22FN5OS/c1-14-9-16(12-26)13-28-19(14)8-6-15-5-7-18(25)17(10-15)23(2)20-11-24(20,21(31)30(3)4)32-22(27)29-23/h5,7,9-10,13,20H,11H2,1-4H3,(H2,27,29)/t20-,23+,24-/m0/s1
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n/an/a 99n/an/an/an/an/an/a



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 US10889581 (2021)

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


(Homo sapiens (Human))
BDBM477898
PNG
(6-((3-((1S,5S,6S)-3-amino-1,5-bis(fluoromethyl)-2-...)
Show SMILES NC1=N[C@@](CF)([C@@H]2C[C@]2(CF)S1)c1cc(ccc1F)C#Cc1ccc(cn1)C#N
Show InChI InChI=1S/C21H15F3N4S/c22-11-20-8-18(20)21(12-23,28-19(26)29-20)16-7-13(3-6-17(16)24)1-4-15-5-2-14(9-25)10-27-15/h2-3,5-7,10,18H,8,11-12H2,(H2,26,28)/t18-,20-,21-/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 US10889581 (2021)

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


(Homo sapiens (Human))
BDBM477912
PNG
(6-((3-((1S,5S,6S)-3-amino-5-(fluoromethyl)-1-((4-m...)
Show SMILES Cc1cn(C[C@]23C[C@H]2[C@](CF)(N=C(N)S3)c2cc(ccc2F)C#Cc2ccc(cn2)C#N)nn1
Show InChI InChI=1S/C24H19F2N7S/c1-15-12-33(32-31-15)14-23-9-21(23)24(13-25,30-22(28)34-23)19-8-16(4-7-20(19)26)2-5-18-6-3-17(10-27)11-29-18/h3-4,6-8,11-12,21H,9,13-14H2,1H3,(H2,28,30)/t21-,23-,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 US10889581 (2021)

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


(Homo sapiens (Human))
BDBM477910
PNG
(2-((1R,5S,6S)-3-amino-5-(5-((5-cyanopyridin-2-yl)e...)
Show SMILES NC(=O)C[C@]12C[C@H]1[C@](CF)(N=C(N)S2)c1cc(ccc1F)C#Cc1ccc(cn1)C#N
Show InChI InChI=1S/C22H17F2N5OS/c23-12-22(18-8-21(18,9-19(26)30)31-20(27)29-22)16-7-13(3-6-17(16)24)1-4-15-5-2-14(10-25)11-28-15/h2-3,5-7,11,18H,8-9,12H2,(H2,26,30)(H2,27,29)/t18-,21-,22-/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 US10889581 (2021)

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


(Homo sapiens (Human))
BDBM477916
PNG
(6-((3-((1S,5S,6S)-3-amino-5-(fluoromethyl)-1-(3-mo...)
Show SMILES NC1=N[C@@](CF)([C@@H]2C[C@]2(CCC(=O)N2CCOCC2)S1)c1cc(ccc1F)C#Cc1ccc(cn1)C#N
Show InChI InChI=1S/C27H25F2N5O2S/c28-17-27(21-13-18(3-6-22(21)29)1-4-20-5-2-19(15-30)16-32-20)23-14-26(23,37-25(31)33-27)8-7-24(35)34-9-11-36-12-10-34/h2-3,5-6,13,16,23H,7-12,14,17H2,(H2,31,33)/t23-,26+,27-/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 US10889581 (2021)

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


(Homo sapiens (Human))
BDBM477931
PNG
((1S,5S)-5-(5-((5-chloro-3-methylpyridin-2-yl)ethyn...)
Show SMILES COC[C@]12CC1[C@](C)(N=C(N)S2)c1cc(ccc1F)C#Cc1ncc(Cl)cc1C
Show InChI InChI=1S/C22H21ClFN3OS/c1-13-8-15(23)11-26-18(13)7-5-14-4-6-17(24)16(9-14)21(2)19-10-22(19,12-28-3)29-20(25)27-21/h4,6,8-9,11,19H,10,12H2,1-3H3,(H2,25,27)/t19?,21-,22-/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 US10889581 (2021)

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


(Homo sapiens (Human))
BDBM477936
PNG
((1S,5S,6S)-3-amino-5-(5-ethynyl-2-fluorophenyl)-N,...)
Show SMILES CN(C)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(ccc1F)C#C
Show InChI InChI=1S/C17H18FN3OS/c1-5-10-6-7-12(18)11(8-10)16(2)13-9-17(13,14(22)21(3)4)23-15(19)20-16/h1,6-8,13H,9H2,2-4H3,(H2,19,20)/t13-,16+,17-/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 US10889581 (2021)

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


(Homo sapiens (Human))
BDBM477927
PNG
((1S,5S,6S)-3-amino-5-(2-fluoro-5-((5-(2-propyn-1-y...)
Show SMILES CN(C)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(ccc1F)C#Cc1ccc(OCC#C)cn1
Show InChI InChI=1S/C25H23FN4O2S/c1-5-12-32-18-10-9-17(28-15-18)8-6-16-7-11-20(26)19(13-16)24(2)21-14-25(21,22(31)30(3)4)33-23(27)29-24/h1,7,9-11,13,15,21H,12,14H2,2-4H3,(H2,27,29)/t21-,24+,25-/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 US10889581 (2021)

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


(Homo sapiens (Human))
BDBM477913
PNG
(6-((3-((1R,5S,6S)-3-amino-5-(fluoromethyl)-1-((E)-...)
Show SMILES Cc1cc(cnc1C#Cc1ccc(F)c(c1)[C@@]1(CF)N=C(N)S[C@]2(C[C@@H]12)\C=C\C(=O)N1CCOCC1)C#N
Show InChI InChI=1S/C28H25F2N5O2S/c1-18-12-20(15-31)16-33-23(18)5-3-19-2-4-22(30)21(13-19)28(17-29)24-14-27(24,38-26(32)34-28)7-6-25(36)35-8-10-37-11-9-35/h2,4,6-7,12-13,16,24H,8-11,14,17H2,1H3,(H2,32,34)/b7-6+/t24-,27+,28-/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 US10889581 (2021)

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


(Homo sapiens (Human))
BDBM477917
PNG
(6-((3-((1S,5S,6S)-3-amino-5-(fluoromethyl)-1-(3-mo...)
Show SMILES Cc1cc(cnc1C#Cc1ccc(F)c(c1)[C@@]1(CF)N=C(N)S[C@@]2(CCC(=O)N3CCOCC3)C[C@@H]12)C#N
Show InChI InChI=1S/C28H27F2N5O2S/c1-18-12-20(15-31)16-33-23(18)5-3-19-2-4-22(30)21(13-19)28(17-29)24-14-27(24,38-26(32)34-28)7-6-25(36)35-8-10-37-11-9-35/h2,4,12-13,16,24H,6-11,14,17H2,1H3,(H2,32,34)/t24-,27+,28-/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 US10889581 (2021)

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


(Homo sapiens (Human))
BDBM477899
PNG
((1S,5S,6S)-5-(5-((5-chloropyridin-2-yl)ethynyl)-2-...)
Show SMILES NC1=N[C@@](CF)([C@@H]2C[C@]2(CF)S1)c1cc(ccc1F)C#Cc1ccc(Cl)cn1
Show InChI InChI=1S/C20H15ClF3N3S/c21-13-3-5-14(26-9-13)4-1-12-2-6-16(24)15(7-12)20(11-23)17-8-19(17,10-22)28-18(25)27-20/h2-3,5-7,9,17H,8,10-11H2,(H2,25,27)/t17-,19-,20-/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 US10889581 (2021)

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


(Homo sapiens (Human))
BDBM477926
PNG
((1S,5S,6S)-3-amino-5-(5-((4-cyanophenyl)ethynyl)-2...)
Show SMILES CN(C)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(ccc1F)C#Cc1ccc(cc1)C#N
Show InChI InChI=1S/C24H21FN4OS/c1-23(20-13-24(20,21(30)29(2)3)31-22(27)28-23)18-12-16(10-11-19(18)25)7-4-15-5-8-17(14-26)9-6-15/h5-6,8-12,20H,13H2,1-3H3,(H2,27,28)/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 US10889581 (2021)

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


(Homo sapiens (Human))
BDBM477919
PNG
(4-((3-((1R,5S,6S)-3-amino-5-(fluoromethyl)-1-((E)-...)
Show SMILES NC1=N[C@@](CF)([C@@H]2C[C@@]2(S1)\C=C\C(=O)N1CCOCC1)c1cc(ccc1F)C#Cc1ccc(cc1)C#N
Show InChI InChI=1S/C28H24F2N4O2S/c29-18-28(22-15-20(7-8-23(22)30)4-1-19-2-5-21(17-31)6-3-19)24-16-27(24,37-26(32)33-28)10-9-25(35)34-11-13-36-14-12-34/h2-3,5-10,15,24H,11-14,16,18H2,(H2,32,33)/b10-9+/t24-,27+,28-/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 US10889581 (2021)

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


(Homo sapiens (Human))
BDBM477936
PNG
((1S,5S,6S)-3-amino-5-(5-ethynyl-2-fluorophenyl)-N,...)
Show SMILES CN(C)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(ccc1F)C#C
Show InChI InChI=1S/C17H18FN3OS/c1-5-10-6-7-12(18)11(8-10)16(2)13-9-17(13,14(22)21(3)4)23-15(19)20-16/h1,6-8,13H,9H2,2-4H3,(H2,19,20)/t13-,16+,17-/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 US10889581 (2021)

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


(Homo sapiens (Human))
BDBM477908
PNG
(6-((3-((1R,5S,6S)-3-amino-5-(fluoromethyl)-1-((E)-...)
Show SMILES NC1=N[C@@](CF)([C@@H]2C[C@@]2(S1)\C=C\C(=O)N1CCOCC1)c1cc(ccc1F)C#Cc1ccc(cn1)C#N
Show InChI InChI=1S/C27H23F2N5O2S/c28-17-27(21-13-18(3-6-22(21)29)1-4-20-5-2-19(15-30)16-32-20)23-14-26(23,37-25(31)33-27)8-7-24(35)34-9-11-36-12-10-34/h2-3,5-8,13,16,23H,9-12,14,17H2,(H2,31,33)/b8-7+/t23-,26+,27-/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 US10889581 (2021)

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


(Homo sapiens (Human))
BDBM477925
PNG
(6-((3-((1S,5S,6S)-3-amino-5-methyl-1-(pyrrolidine-...)
Show SMILES Cc1cc(cnc1C#Cc1ccc(F)c(c1)[C@@]1(C)N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CCCC1)C#N
Show InChI InChI=1S/C26H24FN5OS/c1-16-11-18(14-28)15-30-21(16)8-6-17-5-7-20(27)19(12-17)25(2)22-13-26(22,34-24(29)31-25)23(33)32-9-3-4-10-32/h5,7,11-12,15,22H,3-4,9-10,13H2,1-2H3,(H2,29,31)/t22-,25+,26-/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 US10889581 (2021)

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


(Homo sapiens (Human))
BDBM477927
PNG
((1S,5S,6S)-3-amino-5-(2-fluoro-5-((5-(2-propyn-1-y...)
Show SMILES CN(C)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(ccc1F)C#Cc1ccc(OCC#C)cn1
Show InChI InChI=1S/C25H23FN4O2S/c1-5-12-32-18-10-9-17(28-15-18)8-6-16-7-11-20(26)19(13-16)24(2)21-14-25(21,22(31)30(3)4)33-23(27)29-24/h1,7,9-11,13,15,21H,12,14H2,2-4H3,(H2,27,29)/t21-,24+,25-/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 US10889581 (2021)

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


(Homo sapiens (Human))
BDBM477899
PNG
((1S,5S,6S)-5-(5-((5-chloropyridin-2-yl)ethynyl)-2-...)
Show SMILES NC1=N[C@@](CF)([C@@H]2C[C@]2(CF)S1)c1cc(ccc1F)C#Cc1ccc(Cl)cn1
Show InChI InChI=1S/C20H15ClF3N3S/c21-13-3-5-14(26-9-13)4-1-12-2-6-16(24)15(7-12)20(11-23)17-8-19(17,10-22)28-18(25)27-20/h2-3,5-7,9,17H,8,10-11H2,(H2,25,27)/t17-,19-,20-/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 US10889581 (2021)

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


(Homo sapiens (Human))
BDBM477934
PNG
(6-((5-((1S,5S)-3-amino-5-methyl-1-(pyrrolidine-1-c...)
Show SMILES Cc1cc(cnc1C#Cc1cnc(F)c(c1)[C@@]1(C)N=C(N)S[C@]2(CC12)C(=O)N1CCCC1)C#N
Show InChI InChI=1S/C25H23FN6OS/c1-15-9-17(12-27)14-29-19(15)6-5-16-10-18(21(26)30-13-16)24(2)20-11-25(20,34-23(28)31-24)22(33)32-7-3-4-8-32/h9-10,13-14,20H,3-4,7-8,11H2,1-2H3,(H2,28,31)/t20?,24-,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 US10889581 (2021)

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


(Homo sapiens (Human))
BDBM477922
PNG
(6-((3-((1S,5S,6S)-1-((1H-imidazol-1-yl)methyl)-3-a...)
Show SMILES NC1=N[C@@](CF)([C@@H]2C[C@]2(Cn2ccnc2)S1)c1cc(ccc1F)C#Cc1ccc(cn1)C#N
Show InChI InChI=1S/C24H18F2N6S/c25-13-24(21-10-23(21,33-22(28)31-24)14-32-8-7-29-15-32)19-9-16(3-6-20(19)26)1-4-18-5-2-17(11-27)12-30-18/h2-3,5-9,12,15,21H,10,13-14H2,(H2,28,31)/t21-,23-,24-/m1/s1
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n/an/a 583n/an/an/an/an/an/a



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 US10889581 (2021)

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


(Homo sapiens (Human))
BDBM477931
PNG
((1S,5S)-5-(5-((5-chloro-3-methylpyridin-2-yl)ethyn...)
Show SMILES COC[C@]12CC1[C@](C)(N=C(N)S2)c1cc(ccc1F)C#Cc1ncc(Cl)cc1C
Show InChI InChI=1S/C22H21ClFN3OS/c1-13-8-15(23)11-26-18(13)7-5-14-4-6-17(24)16(9-14)21(2)19-10-22(19,12-28-3)29-20(25)27-21/h4,6,8-9,11,19H,10,12H2,1-3H3,(H2,25,27)/t19?,21-,22-/m1/s1
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n/an/a 613n/an/an/an/an/an/a



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 US10889581 (2021)

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


(Homo sapiens (Human))
BDBM477923
PNG
((1S,5S,6S)-3-amino-5-(5-((5-cyano-3-methylpyridin-...)
Show SMILES Cc1cc(cnc1C#Cc1ccc(F)c(c1)[C@@]1(C)N=C(N)S[C@]2(C[C@@H]12)C#N)C#N
Show InChI InChI=1S/C22H16FN5S/c1-13-7-15(10-24)11-27-18(13)6-4-14-3-5-17(23)16(8-14)21(2)19-9-22(19,12-25)29-20(26)28-21/h3,5,7-8,11,19H,9H2,1-2H3,(H2,26,28)/t19-,21+,22+/m0/s1
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n/an/a 617n/an/an/an/an/an/a



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 US10889581 (2021)

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


(Homo sapiens (Human))
BDBM477911
PNG
(6-((5-((1S,5S,6S)-3-amino-1-(fluoromethyl)-5-methy...)
Show SMILES C[C@@]1(N=C(N)S[C@@]2(CF)C[C@@H]12)c1cc(cnc1F)C#Cc1ccc(cn1)C#N
Show InChI InChI=1S/C20H15F2N5S/c1-19(16-7-20(16,11-21)28-18(24)27-19)15-6-12(9-26-17(15)22)2-4-14-5-3-13(8-23)10-25-14/h3,5-6,9-10,16H,7,11H2,1H3,(H2,24,27)/t16-,19+,20+/m0/s1
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n/an/a 637n/an/an/an/an/an/a



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 US10889581 (2021)

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


(Homo sapiens (Human))
BDBM477905
PNG
((1S,5S,6S)-5-(2-fluoro-5-((5-(oxazol-2-ylmethoxy)p...)
Show SMILES NC1=N[C@@](CF)([C@@H]2C[C@]2(CF)S1)c1cc(ccc1F)C#Cc1ccc(OCc2ncco2)cn1
Show InChI InChI=1S/C24H19F3N4O2S/c25-13-23-10-20(23)24(14-26,31-22(28)34-23)18-9-15(2-6-19(18)27)1-3-16-4-5-17(11-30-16)33-12-21-29-7-8-32-21/h2,4-9,11,20H,10,12-14H2,(H2,28,31)/t20-,23-,24-/m1/s1
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n/an/a 735n/an/an/an/an/an/a



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 US10889581 (2021)

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


(Homo sapiens (Human))
BDBM477933
PNG
(6-((5-((1S,5S)-3-amino-5-methyl-1-(morpholine-4-ca...)
Show SMILES Cc1cc(cnc1C#Cc1cnc(F)c(c1)[C@@]1(C)N=C(N)S[C@]2(CC12)C(=O)N1CCOCC1)C#N
Show InChI InChI=1S/C25H23FN6O2S/c1-15-9-17(12-27)14-29-19(15)4-3-16-10-18(21(26)30-13-16)24(2)20-11-25(20,35-23(28)31-24)22(33)32-5-7-34-8-6-32/h9-10,13-14,20H,5-8,11H2,1-2H3,(H2,28,31)/t20?,24-,25+/m1/s1
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n/an/a 974n/an/an/an/an/an/a



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 US10889581 (2021)

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


(Homo sapiens (Human))
BDBM477935
PNG
((1S,5S,6S)-5-(5-((4-chloropyridin-2-yl)ethynyl)-2-...)
Show SMILES NC1=N[C@@](CF)([C@@H]2C[C@]2(CF)S1)c1cc(ccc1F)C#Cc1cc(Cl)ccn1
Show InChI InChI=1S/C20H15ClF3N3S/c21-13-5-6-26-14(8-13)3-1-12-2-4-16(24)15(7-12)20(11-23)17-9-19(17,10-22)28-18(25)27-20/h2,4-8,17H,9-11H2,(H2,25,27)/t17-,19-,20-/m1/s1
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n/an/a 1.12E+3n/an/an/an/an/an/a



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 US10889581 (2021)

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


(Homo sapiens (Human))
BDBM477932
PNG
(6-((3-((1S,5S)-3-amino-1-(methoxymethyl)-5-methyl-...)
Show SMILES COC[C@]12CC1[C@](C)(N=C(N)S2)c1cc(ccc1F)C#Cc1ncc(cc1C)C#N
Show InChI InChI=1S/C23H21FN4OS/c1-14-8-16(11-25)12-27-19(14)7-5-15-4-6-18(24)17(9-15)22(2)20-10-23(20,13-29-3)30-21(26)28-22/h4,6,8-9,12,20H,10,13H2,1-3H3,(H2,26,28)/t20?,22-,23-/m1/s1
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n/an/a 1.47E+3n/an/an/an/an/an/a



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 US10889581 (2021)

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


(Homo sapiens (Human))
BDBM477900
PNG
(5-((3-((1S,5S,6S)-3-amino-1,5-bis(fluoromethyl)-2-...)
Show SMILES NC1=N[C@@](CF)([C@@H]2C[C@]2(CF)S1)c1cc(ccc1F)C#Cc1cnc(cn1)C#N
Show InChI InChI=1S/C20H14F3N5S/c21-10-19-6-17(19)20(11-22,28-18(25)29-19)15-5-12(2-4-16(15)23)1-3-13-8-27-14(7-24)9-26-13/h2,4-5,8-9,17H,6,10-11H2,(H2,25,28)/t17-,19-,20-/m1/s1
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n/an/a 1.59E+3n/an/an/an/an/an/a



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 US10889581 (2021)

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


(Homo sapiens (Human))
BDBM477909
PNG
((E)-3-((1R,5S,6S)-3-amino-5-(5-((5-cyanopyridin-2-...)
Show SMILES CN(C)C(=O)\C=C\[C@]12C[C@H]1[C@](CF)(N=C(N)S2)c1cc(ccc1F)C#Cc1ccc(cn1)C#N
Show InChI InChI=1S/C25H21F2N5OS/c1-32(2)22(33)9-10-24-12-21(24)25(15-26,31-23(29)34-24)19-11-16(5-8-20(19)27)3-6-18-7-4-17(13-28)14-30-18/h4-5,7-11,14,21H,12,15H2,1-2H3,(H2,29,31)/b10-9+/t21-,24+,25-/m1/s1
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n/an/a 1.59E+3n/an/an/an/an/an/a



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 US10889581 (2021)

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


(Homo sapiens (Human))
BDBM477907
PNG
(6-((3-((1S,5S,6R)-3-amino-7,7-difluoro-1-(hydroxym...)
Show SMILES C[C@@]1(N=C(N)S[C@]2(CO)[C@H]1C2(F)F)c1cc(ccc1F)C#Cc1ccc(cn1)C#N
Show InChI InChI=1S/C21H15F3N4OS/c1-19(17-20(11-29,21(17,23)24)30-18(26)28-19)15-8-12(4-7-16(15)22)2-5-14-6-3-13(9-25)10-27-14/h3-4,6-8,10,17,29H,11H2,1H3,(H2,26,28)/t17-,19+,20+/m0/s1
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n/an/a 2.08E+3n/an/an/an/an/an/a



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 US10889581 (2021)

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


(Homo sapiens (Human))
BDBM477928
PNG
((1S,5S,6S)-3-amino-5-(2-fluoro-5-((3-methyl-5-(oxa...)
Show SMILES CN(C)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(ccc1F)C#Cc1ncc(OCc2ncco2)cc1C
Show InChI InChI=1S/C27H26FN5O3S/c1-16-11-18(36-15-23-30-9-10-35-23)14-31-21(16)8-6-17-5-7-20(28)19(12-17)26(2)22-13-27(22,24(34)33(3)4)37-25(29)32-26/h5,7,9-12,14,22H,13,15H2,1-4H3,(H2,29,32)/t22-,26+,27-/m0/s1
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n/an/a 2.18E+3n/an/an/an/an/an/a



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 US10889581 (2021)

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


(Homo sapiens (Human))
BDBM477912
PNG
(6-((3-((1S,5S,6S)-3-amino-5-(fluoromethyl)-1-((4-m...)
Show SMILES Cc1cn(C[C@]23C[C@H]2[C@](CF)(N=C(N)S3)c2cc(ccc2F)C#Cc2ccc(cn2)C#N)nn1
Show InChI InChI=1S/C24H19F2N7S/c1-15-12-33(32-31-15)14-23-9-21(23)24(13-25,30-22(28)34-23)19-8-16(4-7-20(19)26)2-5-18-6-3-17(10-27)11-29-18/h3-4,6-8,11-12,21H,9,13-14H2,1H3,(H2,28,30)/t21-,23-,24-/m1/s1
PDB

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n/an/a 2.18E+3n/an/an/an/an/an/a



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 US10889581 (2021)

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


(Homo sapiens (Human))
BDBM477901
PNG
(6-((3-((1S,5S,6S)-3-amino-1,5-bis(fluoromethyl)-2-...)
Show SMILES Cc1cc(cnc1C#Cc1ccc(F)c(c1)[C@@]1(CF)N=C(N)S[C@@]2(CF)C[C@@H]12)C#N
Show InChI InChI=1S/C22H17F3N4S/c1-13-6-15(9-26)10-28-18(13)5-3-14-2-4-17(25)16(7-14)22(12-24)19-8-21(19,11-23)30-20(27)29-22/h2,4,6-7,10,19H,8,11-12H2,1H3,(H2,27,29)/t19-,21-,22-/m1/s1
PDB

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n/an/a 2.28E+3n/an/an/an/an/an/a



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 US10889581 (2021)

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


(Homo sapiens (Human))
BDBM477930
PNG
(6-((3-((1S,5S)-3-amino-1-(methoxymethyl)-5-methyl-...)
Show SMILES COC[C@]12CC1[C@](C)(N=C(N)S2)c1cc(ccc1F)C#Cc1ccc(cn1)C#N
Show InChI InChI=1S/C22H19FN4OS/c1-21(19-10-22(19,13-28-2)29-20(25)27-21)17-9-14(5-8-18(17)23)3-6-16-7-4-15(11-24)12-26-16/h4-5,7-9,12,19H,10,13H2,1-2H3,(H2,25,27)/t19?,21-,22-/m1/s1
PDB

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n/an/a 2.33E+3n/an/an/an/an/an/a



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 US10889581 (2021)

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


(Homo sapiens (Human))
BDBM477904
PNG
(6-((3-((1R,5S,6S)-3-amino-1-((E)-2-cyanovinyl)-5-(...)
Show SMILES NC1=N[C@@](CF)([C@@H]2C[C@@]2(S1)\C=C\C#N)c1cc(ccc1F)C#Cc1ccc(cn1)C#N
Show InChI InChI=1S/C23H15F2N5S/c24-14-23(20-11-22(20,8-1-9-26)31-21(28)30-23)18-10-15(4-7-19(18)25)2-5-17-6-3-16(12-27)13-29-17/h1,3-4,6-8,10,13,20H,11,14H2,(H2,28,30)/b8-1+/t20-,22+,23-/m1/s1
PDB

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n/an/a 2.55E+3n/an/an/an/an/an/a



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 US10889581 (2021)

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


(Homo sapiens (Human))
BDBM477911
PNG
(6-((5-((1S,5S,6S)-3-amino-1-(fluoromethyl)-5-methy...)
Show SMILES C[C@@]1(N=C(N)S[C@@]2(CF)C[C@@H]12)c1cc(cnc1F)C#Cc1ccc(cn1)C#N
Show InChI InChI=1S/C20H15F2N5S/c1-19(16-7-20(16,11-21)28-18(24)27-19)15-6-12(9-26-17(15)22)2-4-14-5-3-13(8-23)10-25-14/h3,5-6,9-10,16H,7,11H2,1H3,(H2,24,27)/t16-,19+,20+/m0/s1
PDB

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n/an/a 3.37E+3n/an/an/an/an/an/a



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 US10889581 (2021)

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


(Homo sapiens (Human))
BDBM477910
PNG
(2-((1R,5S,6S)-3-amino-5-(5-((5-cyanopyridin-2-yl)e...)
Show SMILES NC(=O)C[C@]12C[C@H]1[C@](CF)(N=C(N)S2)c1cc(ccc1F)C#Cc1ccc(cn1)C#N
Show InChI InChI=1S/C22H17F2N5OS/c23-12-22(18-8-21(18,9-19(26)30)31-20(27)29-22)16-7-13(3-6-17(16)24)1-4-15-5-2-14(10-25)11-28-15/h2-3,5-7,11,18H,8-9,12H2,(H2,26,30)(H2,27,29)/t18-,21-,22-/m1/s1
PDB

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n/an/a 3.76E+3n/an/an/an/an/an/a



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 US10889581 (2021)

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


(Homo sapiens (Human))
BDBM477897
PNG
(6-((3-((1S,5S,6S)-3-amino-5-(fluoromethyl)-1-(hydr...)
Show SMILES NC1=N[C@@](CF)([C@@H]2C[C@]2(CO)S1)c1cc(ccc1F)C#Cc1ccc(cn1)C#N
Show InChI InChI=1S/C21H16F2N4OS/c22-11-21(18-8-20(18,12-28)29-19(25)27-21)16-7-13(3-6-17(16)23)1-4-15-5-2-14(9-24)10-26-15/h2-3,5-7,10,18,28H,8,11-12H2,(H2,25,27)/t18-,20-,21-/m1/s1
PDB

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n/an/a 4.55E+3n/an/an/an/an/an/a



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 US10889581 (2021)

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


(Homo sapiens (Human))
BDBM477903
PNG
(6-((3-((1R,5S,6S)-3-amino-1-(cyanomethyl)-5-(fluor...)
Show SMILES NC1=N[C@@](CF)([C@@H]2C[C@]2(CC#N)S1)c1cc(ccc1F)C#Cc1ccc(cn1)C#N
Show InChI InChI=1S/C22H15F2N5S/c23-13-22(19-10-21(19,7-8-25)30-20(27)29-22)17-9-14(3-6-18(17)24)1-4-16-5-2-15(11-26)12-28-16/h2-3,5-6,9,12,19H,7,10,13H2,(H2,27,29)/t19-,21+,22-/m1/s1
PDB

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n/an/a 4.73E+3n/an/an/an/an/an/a



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 US10889581 (2021)

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


(Homo sapiens (Human))
BDBM477898
PNG
(6-((3-((1S,5S,6S)-3-amino-1,5-bis(fluoromethyl)-2-...)
Show SMILES NC1=N[C@@](CF)([C@@H]2C[C@]2(CF)S1)c1cc(ccc1F)C#Cc1ccc(cn1)C#N
Show InChI InChI=1S/C21H15F3N4S/c22-11-20-8-18(20)21(12-23,28-19(26)29-20)16-7-13(3-6-17(16)24)1-4-15-5-2-14(9-25)10-27-15/h2-3,5-7,10,18H,8,11-12H2,(H2,26,28)/t18-,20-,21-/m1/s1
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n/an/a 6.04E+3n/an/an/an/an/an/a



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 US10889581 (2021)

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


(Homo sapiens (Human))
BDBM477922
PNG
(6-((3-((1S,5S,6S)-1-((1H-imidazol-1-yl)methyl)-3-a...)
Show SMILES NC1=N[C@@](CF)([C@@H]2C[C@]2(Cn2ccnc2)S1)c1cc(ccc1F)C#Cc1ccc(cn1)C#N
Show InChI InChI=1S/C24H18F2N6S/c25-13-24(21-10-23(21,33-22(28)31-24)14-32-8-7-29-15-32)19-9-16(3-6-20(19)26)1-4-18-5-2-17(11-27)12-30-18/h2-3,5-9,12,15,21H,10,13-14H2,(H2,28,31)/t21-,23-,24-/m1/s1
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n/an/a 8.08E+3n/an/an/an/an/an/a



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 US10889581 (2021)

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


(Homo sapiens (Human))
BDBM477902
PNG
((1S,5S,6S)-5-(5-((5-(but-2-yn-1-yloxy)pyridin-2-yl...)
Show SMILES CC#CCOc1ccc(nc1)C#Cc1ccc(F)c(c1)[C@@]1(CF)N=C(N)S[C@@]2(CF)C[C@@H]12
Show InChI InChI=1S/C24H20F3N3OS/c1-2-3-10-31-18-8-7-17(29-13-18)6-4-16-5-9-20(27)19(11-16)24(15-26)21-12-23(21,14-25)32-22(28)30-24/h5,7-9,11,13,21H,10,12,14-15H2,1H3,(H2,28,30)/t21-,23-,24-/m1/s1
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n/an/a 1.03E+4n/an/an/an/an/an/a



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 US10889581 (2021)

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


(Homo sapiens (Human))
BDBM477905
PNG
((1S,5S,6S)-5-(2-fluoro-5-((5-(oxazol-2-ylmethoxy)p...)
Show SMILES NC1=N[C@@](CF)([C@@H]2C[C@]2(CF)S1)c1cc(ccc1F)C#Cc1ccc(OCc2ncco2)cn1
Show InChI InChI=1S/C24H19F3N4O2S/c25-13-23-10-20(23)24(14-26,31-22(28)34-23)18-9-15(2-6-19(18)27)1-3-16-4-5-17(11-30-16)33-12-21-29-7-8-32-21/h2,4-9,11,20H,10,12-14H2,(H2,28,31)/t20-,23-,24-/m1/s1
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n/an/a 1.41E+4n/an/an/an/an/an/a



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 US10889581 (2021)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM477915
PNG
((E)-3-((1R,5S,6S)-3-amino-5-(2-fluoro-5-((3-methyl...)
Show SMILES Cc1cc(sn1)C#Cc1ccc(F)c(c1)[C@@]1(CF)N=C(N)S[C@]2(C[C@@H]12)\C=C\C(=O)N1CCOCC1
Show InChI InChI=1S/C25H24F2N4O2S2/c1-16-12-18(35-30-16)4-2-17-3-5-20(27)19(13-17)25(15-26)21-14-24(21,34-23(28)29-25)7-6-22(32)31-8-10-33-11-9-31/h3,5-7,12-13,21H,8-11,14-15H2,1H3,(H2,28,29)/b7-6+/t21-,24+,25-/m1/s1
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n/an/a 2.62E+4n/an/an/an/an/an/a



Amgen Inc.

US Patent


Assay Description
Recombinant CatD was expressed in CHO cells. The assay buffer for CatD was 0.05 M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The CatD enzyme (9 nM) ...


US Patent US10889581 (2021)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM477929
PNG
((1S,5S,6S)-3-amino-5-(5-(cyclopropylethynyl)-2-flu...)
Show SMILES CN(C)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(ccc1F)C#CC1CC1
Show InChI InChI=1S/C20H22FN3OS/c1-19(14-10-13(8-9-15(14)21)7-6-12-4-5-12)16-11-20(16,17(25)24(2)3)26-18(22)23-19/h8-10,12,16H,4-5,11H2,1-3H3,(H2,22,23)/t16-,19+,20-/m0/s1
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n/an/a 4.68E+4n/an/an/an/an/an/a



Amgen Inc.

US Patent


Assay Description
Recombinant CatD was expressed in CHO cells. The assay buffer for CatD was 0.05 M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The CatD enzyme (9 nM) ...


US Patent US10889581 (2021)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM477936
PNG
((1S,5S,6S)-3-amino-5-(5-ethynyl-2-fluorophenyl)-N,...)
Show SMILES CN(C)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(ccc1F)C#C
Show InChI InChI=1S/C17H18FN3OS/c1-5-10-6-7-12(18)11(8-10)16(2)13-9-17(13,14(22)21(3)4)23-15(19)20-16/h1,6-8,13H,9H2,2-4H3,(H2,19,20)/t13-,16+,17-/m0/s1
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n/an/a 5.05E+4n/an/an/an/an/an/a



Amgen Inc.

US Patent


Assay Description
Recombinant CatD was expressed in CHO cells. The assay buffer for CatD was 0.05 M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The CatD enzyme (9 nM) ...


US Patent US10889581 (2021)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM477919
PNG
(4-((3-((1R,5S,6S)-3-amino-5-(fluoromethyl)-1-((E)-...)
Show SMILES NC1=N[C@@](CF)([C@@H]2C[C@@]2(S1)\C=C\C(=O)N1CCOCC1)c1cc(ccc1F)C#Cc1ccc(cc1)C#N
Show InChI InChI=1S/C28H24F2N4O2S/c29-18-28(22-15-20(7-8-23(22)30)4-1-19-2-5-21(17-31)6-3-19)24-16-27(24,37-26(32)33-28)10-9-25(35)34-11-13-36-14-12-34/h2-3,5-10,15,24H,11-14,16,18H2,(H2,32,33)/b10-9+/t24-,27+,28-/m1/s1
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n/an/a 8.43E+4n/an/an/an/an/an/a



Amgen Inc.

US Patent


Assay Description
Recombinant CatD was expressed in CHO cells. The assay buffer for CatD was 0.05 M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The CatD enzyme (9 nM) ...


US Patent US10889581 (2021)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM477918
PNG
(2-((3-((1R,5S,6S)-3-amino-5-(fluoromethyl)-1-((E)-...)
Show SMILES NC1=N[C@@](CF)([C@@H]2C[C@@]2(S1)\C=C\C(=O)N1CCOCC1)c1cc(ccc1F)C#Cc1ncc(cn1)C#N
Show InChI InChI=1S/C26H22F2N6O2S/c27-16-26(19-11-17(1-3-20(19)28)2-4-22-31-14-18(13-29)15-32-22)21-12-25(21,37-24(30)33-26)6-5-23(35)34-7-9-36-10-8-34/h1,3,5-6,11,14-15,21H,7-10,12,16H2,(H2,30,33)/b6-5+/t21-,25+,26-/m1/s1
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n/an/a 1.43E+5n/an/an/an/an/an/a



Amgen Inc.

US Patent


Assay Description
Recombinant CatD was expressed in CHO cells. The assay buffer for CatD was 0.05 M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The CatD enzyme (9 nM) ...


US Patent US10889581 (2021)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM477914
PNG
((E)-3-((1R,5S,6S)-3-amino-5-(5-((5-chloropyrimidin...)
Show SMILES NC1=N[C@@](CF)([C@@H]2C[C@@]2(S1)\C=C\C(=O)N1CCOCC1)c1cc(ccc1F)C#Cc1ncc(Cl)cn1
Show InChI InChI=1S/C25H22ClF2N5O2S/c26-17-13-30-21(31-14-17)4-2-16-1-3-19(28)18(11-16)25(15-27)20-12-24(20,36-23(29)32-25)6-5-22(34)33-7-9-35-10-8-33/h1,3,5-6,11,13-14,20H,7-10,12,15H2,(H2,29,32)/b6-5+/t20-,24+,25-/m1/s1
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n/an/a 1.69E+5n/an/an/an/an/an/a



Amgen Inc.

US Patent


Assay Description
Recombinant CatD was expressed in CHO cells. The assay buffer for CatD was 0.05 M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The CatD enzyme (9 nM) ...


US Patent US10889581 (2021)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM477913
PNG
(6-((3-((1R,5S,6S)-3-amino-5-(fluoromethyl)-1-((E)-...)
Show SMILES Cc1cc(cnc1C#Cc1ccc(F)c(c1)[C@@]1(CF)N=C(N)S[C@]2(C[C@@H]12)\C=C\C(=O)N1CCOCC1)C#N
Show InChI InChI=1S/C28H25F2N5O2S/c1-18-12-20(15-31)16-33-23(18)5-3-19-2-4-22(30)21(13-19)28(17-29)24-14-27(24,38-26(32)34-28)7-6-25(36)35-8-10-37-11-9-35/h2,4,6-7,12-13,16,24H,8-11,14,17H2,1H3,(H2,32,34)/b7-6+/t24-,27+,28-/m1/s1
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n/an/a 1.72E+5n/an/an/an/an/an/a



Amgen Inc.

US Patent


Assay Description
Recombinant CatD was expressed in CHO cells. The assay buffer for CatD was 0.05 M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The CatD enzyme (9 nM) ...


US Patent US10889581 (2021)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM477909
PNG
((E)-3-((1R,5S,6S)-3-amino-5-(5-((5-cyanopyridin-2-...)
Show SMILES CN(C)C(=O)\C=C\[C@]12C[C@H]1[C@](CF)(N=C(N)S2)c1cc(ccc1F)C#Cc1ccc(cn1)C#N
Show InChI InChI=1S/C25H21F2N5OS/c1-32(2)22(33)9-10-24-12-21(24)25(15-26,31-23(29)34-24)19-11-16(5-8-20(19)27)3-6-18-7-4-17(13-28)14-30-18/h4-5,7-11,14,21H,12,15H2,1-2H3,(H2,29,31)/b10-9+/t21-,24+,25-/m1/s1
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n/an/a 1.76E+5n/an/an/an/an/an/a



Amgen Inc.

US Patent


Assay Description
Recombinant CatD was expressed in CHO cells. The assay buffer for CatD was 0.05 M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The CatD enzyme (9 nM) ...


US Patent US10889581 (2021)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM477916
PNG
(6-((3-((1S,5S,6S)-3-amino-5-(fluoromethyl)-1-(3-mo...)
Show SMILES NC1=N[C@@](CF)([C@@H]2C[C@]2(CCC(=O)N2CCOCC2)S1)c1cc(ccc1F)C#Cc1ccc(cn1)C#N
Show InChI InChI=1S/C27H25F2N5O2S/c28-17-27(21-13-18(3-6-22(21)29)1-4-20-5-2-19(15-30)16-32-20)23-14-26(23,37-25(31)33-27)8-7-24(35)34-9-11-36-12-10-34/h2-3,5-6,13,16,23H,7-12,14,17H2,(H2,31,33)/t23-,26+,27-/m1/s1
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n/an/a 1.88E+5n/an/an/an/an/an/a



Amgen Inc.

US Patent


Assay Description
Recombinant CatD was expressed in CHO cells. The assay buffer for CatD was 0.05 M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The CatD enzyme (9 nM) ...


US Patent US10889581 (2021)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM477917
PNG
(6-((3-((1S,5S,6S)-3-amino-5-(fluoromethyl)-1-(3-mo...)
Show SMILES Cc1cc(cnc1C#Cc1ccc(F)c(c1)[C@@]1(CF)N=C(N)S[C@@]2(CCC(=O)N3CCOCC3)C[C@@H]12)C#N
Show InChI InChI=1S/C28H27F2N5O2S/c1-18-12-20(15-31)16-33-23(18)5-3-19-2-4-22(30)21(13-19)28(17-29)24-14-27(24,38-26(32)34-28)7-6-25(36)35-8-10-37-11-9-35/h2,4,12-13,16,24H,6-11,14,17H2,1H3,(H2,32,34)/t24-,27+,28-/m1/s1
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n/an/a 1.90E+5n/an/an/an/an/an/a



Amgen Inc.

US Patent


Assay Description
Recombinant CatD was expressed in CHO cells. The assay buffer for CatD was 0.05 M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The CatD enzyme (9 nM) ...


US Patent US10889581 (2021)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM477900
PNG
(5-((3-((1S,5S,6S)-3-amino-1,5-bis(fluoromethyl)-2-...)
Show SMILES NC1=N[C@@](CF)([C@@H]2C[C@]2(CF)S1)c1cc(ccc1F)C#Cc1cnc(cn1)C#N
Show InChI InChI=1S/C20H14F3N5S/c21-10-19-6-17(19)20(11-22,28-18(25)29-19)15-5-12(2-4-16(15)23)1-3-13-8-27-14(7-24)9-26-13/h2,4-5,8-9,17H,6,10-11H2,(H2,25,28)/t17-,19-,20-/m1/s1
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n/an/a 2.29E+5n/an/an/an/an/an/a



Amgen Inc.

US Patent


Assay Description
Recombinant CatD was expressed in CHO cells. The assay buffer for CatD was 0.05 M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The CatD enzyme (9 nM) ...


US Patent US10889581 (2021)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM477920
PNG
((1S,5S,6S)-3-amino-5-(5-((5-cyano-3-methyl-2-pyrid...)
Show SMILES CN(C)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(ccc1F)C#Cc1ncc(cc1C)C#N
Show InChI InChI=1S/C24H22FN5OS/c1-14-9-16(12-26)13-28-19(14)8-6-15-5-7-18(25)17(10-15)23(2)20-11-24(20,21(31)30(3)4)32-22(27)29-23/h5,7,9-10,13,20H,11H2,1-4H3,(H2,27,29)/t20-,23+,24-/m0/s1
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n/an/a 2.36E+5n/an/an/an/an/an/a



Amgen Inc.

US Patent


Assay Description
Recombinant CatD was expressed in CHO cells. The assay buffer for CatD was 0.05 M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The CatD enzyme (9 nM) ...


US Patent US10889581 (2021)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM477904
PNG
(6-((3-((1R,5S,6S)-3-amino-1-((E)-2-cyanovinyl)-5-(...)
Show SMILES NC1=N[C@@](CF)([C@@H]2C[C@@]2(S1)\C=C\C#N)c1cc(ccc1F)C#Cc1ccc(cn1)C#N
Show InChI InChI=1S/C23H15F2N5S/c24-14-23(20-11-22(20,8-1-9-26)31-21(28)30-23)18-10-15(4-7-19(18)25)2-5-17-6-3-16(12-27)13-29-17/h1,3-4,6-8,10,13,20H,11,14H2,(H2,28,30)/b8-1+/t20-,22+,23-/m1/s1
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n/an/a 2.39E+5n/an/an/an/an/an/a



Amgen Inc.

US Patent


Assay Description
Recombinant CatD was expressed in CHO cells. The assay buffer for CatD was 0.05 M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The CatD enzyme (9 nM) ...


US Patent US10889581 (2021)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM477922
PNG
(6-((3-((1S,5S,6S)-1-((1H-imidazol-1-yl)methyl)-3-a...)
Show SMILES NC1=N[C@@](CF)([C@@H]2C[C@]2(Cn2ccnc2)S1)c1cc(ccc1F)C#Cc1ccc(cn1)C#N
Show InChI InChI=1S/C24H18F2N6S/c25-13-24(21-10-23(21,33-22(28)31-24)14-32-8-7-29-15-32)19-9-16(3-6-20(19)26)1-4-18-5-2-17(11-27)12-30-18/h2-3,5-9,12,15,21H,10,13-14H2,(H2,28,31)/t21-,23-,24-/m1/s1
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n/an/a 2.48E+5n/an/an/an/an/an/a



Amgen Inc.

US Patent


Assay Description
Recombinant CatD was expressed in CHO cells. The assay buffer for CatD was 0.05 M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The CatD enzyme (9 nM) ...


US Patent US10889581 (2021)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM477923
PNG
((1S,5S,6S)-3-amino-5-(5-((5-cyano-3-methylpyridin-...)
Show SMILES Cc1cc(cnc1C#Cc1ccc(F)c(c1)[C@@]1(C)N=C(N)S[C@]2(C[C@@H]12)C#N)C#N
Show InChI InChI=1S/C22H16FN5S/c1-13-7-15(10-24)11-27-18(13)6-4-14-3-5-17(23)16(8-14)21(2)19-9-22(19,12-25)29-20(26)28-21/h3,5,7-8,11,19H,9H2,1-2H3,(H2,26,28)/t19-,21+,22+/m0/s1
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n/an/a 2.68E+5n/an/an/an/an/an/a



Amgen Inc.

US Patent


Assay Description
Recombinant CatD was expressed in CHO cells. The assay buffer for CatD was 0.05 M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The CatD enzyme (9 nM) ...


US Patent US10889581 (2021)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM477926
PNG
((1S,5S,6S)-3-amino-5-(5-((4-cyanophenyl)ethynyl)-2...)
Show SMILES CN(C)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(ccc1F)C#Cc1ccc(cc1)C#N
Show InChI InChI=1S/C24H21FN4OS/c1-23(20-13-24(20,21(30)29(2)3)31-22(27)28-23)18-12-16(10-11-19(18)25)7-4-15-5-8-17(14-26)9-6-15/h5-6,8-12,20H,13H2,1-3H3,(H2,27,28)/t20-,23+,24-/m0/s1
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n/an/a 2.89E+5n/an/an/an/an/an/a



Amgen Inc.

US Patent


Assay Description
Recombinant CatD was expressed in CHO cells. The assay buffer for CatD was 0.05 M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The CatD enzyme (9 nM) ...


US Patent US10889581 (2021)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM477908
PNG
(6-((3-((1R,5S,6S)-3-amino-5-(fluoromethyl)-1-((E)-...)
Show SMILES NC1=N[C@@](CF)([C@@H]2C[C@@]2(S1)\C=C\C(=O)N1CCOCC1)c1cc(ccc1F)C#Cc1ccc(cn1)C#N
Show InChI InChI=1S/C27H23F2N5O2S/c28-17-27(21-13-18(3-6-22(21)29)1-4-20-5-2-19(15-30)16-32-20)23-14-26(23,37-25(31)33-27)8-7-24(35)34-9-11-36-12-10-34/h2-3,5-8,13,16,23H,9-12,14,17H2,(H2,31,33)/b8-7+/t23-,26+,27-/m1/s1
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n/an/a 3.00E+5n/an/an/an/an/an/a



Amgen Inc.

US Patent


Assay Description
Recombinant CatD was expressed in CHO cells. The assay buffer for CatD was 0.05 M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The CatD enzyme (9 nM) ...


US Patent US10889581 (2021)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM477921
PNG
(6-((3-((1R,5S,6S)-3-amino-5-(fluoromethyl)-1-((E)-...)
Show SMILES NC1=N[C@@](CF)([C@@H]2C[C@@]2(S1)\C=C\C(=O)N1CCOCC1)c1cc(ccc1F)C#Cc1ncc(cc1F)C#N
Show InChI InChI=1S/C27H22F3N5O2S/c28-16-27(19-11-17(1-3-20(19)29)2-4-22-21(30)12-18(14-31)15-33-22)23-13-26(23,38-25(32)34-27)6-5-24(36)35-7-9-37-10-8-35/h1,3,5-6,11-12,15,23H,7-10,13,16H2,(H2,32,34)/b6-5+/t23-,26+,27-/m1/s1
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n/an/a 3.35E+5n/an/an/an/an/an/a



Amgen Inc.

US Patent


Assay Description
Recombinant CatD was expressed in CHO cells. The assay buffer for CatD was 0.05 M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The CatD enzyme (9 nM) ...


US Patent US10889581 (2021)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM477930
PNG
(6-((3-((1S,5S)-3-amino-1-(methoxymethyl)-5-methyl-...)
Show SMILES COC[C@]12CC1[C@](C)(N=C(N)S2)c1cc(ccc1F)C#Cc1ccc(cn1)C#N
Show InChI InChI=1S/C22H19FN4OS/c1-21(19-10-22(19,13-28-2)29-20(25)27-21)17-9-14(5-8-18(17)23)3-6-16-7-4-15(11-24)12-26-16/h4-5,7-9,12,19H,10,13H2,1-2H3,(H2,25,27)/t19?,21-,22-/m1/s1
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n/an/a>4.00E+5n/an/an/an/an/an/a



Amgen Inc.

US Patent


Assay Description
Recombinant CatD was expressed in CHO cells. The assay buffer for CatD was 0.05 M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The CatD enzyme (9 nM) ...


US Patent US10889581 (2021)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM477931
PNG
((1S,5S)-5-(5-((5-chloro-3-methylpyridin-2-yl)ethyn...)
Show SMILES COC[C@]12CC1[C@](C)(N=C(N)S2)c1cc(ccc1F)C#Cc1ncc(Cl)cc1C
Show InChI InChI=1S/C22H21ClFN3OS/c1-13-8-15(23)11-26-18(13)7-5-14-4-6-17(24)16(9-14)21(2)19-10-22(19,12-28-3)29-20(25)27-21/h4,6,8-9,11,19H,10,12H2,1-3H3,(H2,25,27)/t19?,21-,22-/m1/s1
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n/an/a>4.00E+5n/an/an/an/an/an/a



Amgen Inc.

US Patent


Assay Description
Recombinant CatD was expressed in CHO cells. The assay buffer for CatD was 0.05 M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The CatD enzyme (9 nM) ...


US Patent US10889581 (2021)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM477932
PNG
(6-((3-((1S,5S)-3-amino-1-(methoxymethyl)-5-methyl-...)
Show SMILES COC[C@]12CC1[C@](C)(N=C(N)S2)c1cc(ccc1F)C#Cc1ncc(cc1C)C#N
Show InChI InChI=1S/C23H21FN4OS/c1-14-8-16(11-25)12-27-19(14)7-5-15-4-6-18(24)17(9-15)22(2)20-10-23(20,13-29-3)30-21(26)28-22/h4,6,8-9,12,20H,10,13H2,1-3H3,(H2,26,28)/t20?,22-,23-/m1/s1
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n/an/a>4.00E+5n/an/an/an/an/an/a



Amgen Inc.

US Patent


Assay Description
Recombinant CatD was expressed in CHO cells. The assay buffer for CatD was 0.05 M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The CatD enzyme (9 nM) ...


US Patent US10889581 (2021)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM477934
PNG
(6-((5-((1S,5S)-3-amino-5-methyl-1-(pyrrolidine-1-c...)
Show SMILES Cc1cc(cnc1C#Cc1cnc(F)c(c1)[C@@]1(C)N=C(N)S[C@]2(CC12)C(=O)N1CCCC1)C#N
Show InChI InChI=1S/C25H23FN6OS/c1-15-9-17(12-27)14-29-19(15)6-5-16-10-18(21(26)30-13-16)24(2)20-11-25(20,34-23(28)31-24)22(33)32-7-3-4-8-32/h9-10,13-14,20H,3-4,7-8,11H2,1-2H3,(H2,28,31)/t20?,24-,25+/m1/s1
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n/an/a>4.00E+5n/an/an/an/an/an/a



Amgen Inc.

US Patent


Assay Description
Recombinant CatD was expressed in CHO cells. The assay buffer for CatD was 0.05 M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The CatD enzyme (9 nM) ...


US Patent US10889581 (2021)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM477933
PNG
(6-((5-((1S,5S)-3-amino-5-methyl-1-(morpholine-4-ca...)
Show SMILES Cc1cc(cnc1C#Cc1cnc(F)c(c1)[C@@]1(C)N=C(N)S[C@]2(CC12)C(=O)N1CCOCC1)C#N
Show InChI InChI=1S/C25H23FN6O2S/c1-15-9-17(12-27)14-29-19(15)4-3-16-10-18(21(26)30-13-16)24(2)20-11-25(20,35-23(28)31-24)22(33)32-5-7-34-8-6-32/h9-10,13-14,20H,5-8,11H2,1-2H3,(H2,28,31)/t20?,24-,25+/m1/s1
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n/an/a>4.00E+5n/an/an/an/an/an/a



Amgen Inc.

US Patent


Assay Description
Recombinant CatD was expressed in CHO cells. The assay buffer for CatD was 0.05 M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The CatD enzyme (9 nM) ...


US Patent US10889581 (2021)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM477911
PNG
(6-((5-((1S,5S,6S)-3-amino-1-(fluoromethyl)-5-methy...)
Show SMILES C[C@@]1(N=C(N)S[C@@]2(CF)C[C@@H]12)c1cc(cnc1F)C#Cc1ccc(cn1)C#N
Show InChI InChI=1S/C20H15F2N5S/c1-19(16-7-20(16,11-21)28-18(24)27-19)15-6-12(9-26-17(15)22)2-4-14-5-3-13(8-23)10-25-14/h3,5-6,9-10,16H,7,11H2,1H3,(H2,24,27)/t16-,19+,20+/m0/s1
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n/an/a>4.00E+5n/an/an/an/an/an/a



Amgen Inc.

US Patent


Assay Description
Recombinant CatD was expressed in CHO cells. The assay buffer for CatD was 0.05 M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The CatD enzyme (9 nM) ...


US Patent US10889581 (2021)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM477902
PNG
((1S,5S,6S)-5-(5-((5-(but-2-yn-1-yloxy)pyridin-2-yl...)
Show SMILES CC#CCOc1ccc(nc1)C#Cc1ccc(F)c(c1)[C@@]1(CF)N=C(N)S[C@@]2(CF)C[C@@H]12
Show InChI InChI=1S/C24H20F3N3OS/c1-2-3-10-31-18-8-7-17(29-13-18)6-4-16-5-9-20(27)19(11-16)24(15-26)21-12-23(21,14-25)32-22(28)30-24/h5,7-9,11,13,21H,10,12,14-15H2,1H3,(H2,28,30)/t21-,23-,24-/m1/s1
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n/an/a 5.00E+5n/an/an/an/an/an/a



Amgen Inc.

US Patent


Assay Description
Recombinant CatD was expressed in CHO cells. The assay buffer for CatD was 0.05 M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The CatD enzyme (9 nM) ...


US Patent US10889581 (2021)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM477925
PNG
(6-((3-((1S,5S,6S)-3-amino-5-methyl-1-(pyrrolidine-...)
Show SMILES Cc1cc(cnc1C#Cc1ccc(F)c(c1)[C@@]1(C)N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CCCC1)C#N
Show InChI InChI=1S/C26H24FN5OS/c1-16-11-18(14-28)15-30-21(16)8-6-17-5-7-20(27)19(12-17)25(2)22-13-26(22,34-24(29)31-25)23(33)32-9-3-4-10-32/h5,7,11-12,15,22H,3-4,9-10,13H2,1-2H3,(H2,29,31)/t22-,25+,26-/m0/s1
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n/an/a 5.08E+5n/an/an/an/an/an/a



Amgen Inc.

US Patent


Assay Description
Recombinant CatD was expressed in CHO cells. The assay buffer for CatD was 0.05 M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The CatD enzyme (9 nM) ...


US Patent US10889581 (2021)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM477903
PNG
(6-((3-((1R,5S,6S)-3-amino-1-(cyanomethyl)-5-(fluor...)
Show SMILES NC1=N[C@@](CF)([C@@H]2C[C@]2(CC#N)S1)c1cc(ccc1F)C#Cc1ccc(cn1)C#N
Show InChI InChI=1S/C22H15F2N5S/c23-13-22(19-10-21(19,7-8-25)30-20(27)29-22)17-9-14(3-6-18(17)24)1-4-16-5-2-15(11-26)12-28-16/h2-3,5-6,9,12,19H,7,10,13H2,(H2,27,29)/t19-,21+,22-/m1/s1
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n/an/a 6.14E+5n/an/an/an/an/an/a



Amgen Inc.

US Patent


Assay Description
Recombinant CatD was expressed in CHO cells. The assay buffer for CatD was 0.05 M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The CatD enzyme (9 nM) ...


US Patent US10889581 (2021)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM477899
PNG
((1S,5S,6S)-5-(5-((5-chloropyridin-2-yl)ethynyl)-2-...)
Show SMILES NC1=N[C@@](CF)([C@@H]2C[C@]2(CF)S1)c1cc(ccc1F)C#Cc1ccc(Cl)cn1
Show InChI InChI=1S/C20H15ClF3N3S/c21-13-3-5-14(26-9-13)4-1-12-2-6-16(24)15(7-12)20(11-23)17-8-19(17,10-22)28-18(25)27-20/h2-3,5-7,9,17H,8,10-11H2,(H2,25,27)/t17-,19-,20-/m1/s1
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n/an/a 6.73E+5n/an/an/an/an/an/a



Amgen Inc.

US Patent


Assay Description
Recombinant CatD was expressed in CHO cells. The assay buffer for CatD was 0.05 M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The CatD enzyme (9 nM) ...


US Patent US10889581 (2021)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM477906
PNG
(2-((3-((1S,5S,6S)-3-amino-1,5-bis(fluoromethyl)-2-...)
Show SMILES NC1=N[C@@](CF)([C@@H]2C[C@]2(CF)S1)c1cc(ccc1F)C#Cc1ncc(s1)C#N
Show InChI InChI=1S/C19H13F3N4S2/c20-9-18-6-15(18)19(10-21,26-17(24)28-18)13-5-11(1-3-14(13)22)2-4-16-25-8-12(7-23)27-16/h1,3,5,8,15H,6,9-10H2,(H2,24,26)/t15-,18-,19-/m1/s1
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n/an/a 7.05E+5n/an/an/an/an/an/a



Amgen Inc.

US Patent


Assay Description
Recombinant CatD was expressed in CHO cells. The assay buffer for CatD was 0.05 M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The CatD enzyme (9 nM) ...


US Patent US10889581 (2021)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM477905
PNG
((1S,5S,6S)-5-(2-fluoro-5-((5-(oxazol-2-ylmethoxy)p...)
Show SMILES NC1=N[C@@](CF)([C@@H]2C[C@]2(CF)S1)c1cc(ccc1F)C#Cc1ccc(OCc2ncco2)cn1
Show InChI InChI=1S/C24H19F3N4O2S/c25-13-23-10-20(23)24(14-26,31-22(28)34-23)18-9-15(2-6-19(18)27)1-3-16-4-5-17(11-30-16)33-12-21-29-7-8-32-21/h2,4-9,11,20H,10,12-14H2,(H2,28,31)/t20-,23-,24-/m1/s1
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n/an/a 7.84E+5n/an/an/an/an/an/a



Amgen Inc.

US Patent


Assay Description
Recombinant CatD was expressed in CHO cells. The assay buffer for CatD was 0.05 M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The CatD enzyme (9 nM) ...


US Patent US10889581 (2021)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM477935
PNG
((1S,5S,6S)-5-(5-((4-chloropyridin-2-yl)ethynyl)-2-...)
Show SMILES NC1=N[C@@](CF)([C@@H]2C[C@]2(CF)S1)c1cc(ccc1F)C#Cc1cc(Cl)ccn1
Show InChI InChI=1S/C20H15ClF3N3S/c21-13-5-6-26-14(8-13)3-1-12-2-4-16(24)15(7-12)20(11-23)17-9-19(17,10-22)28-18(25)27-20/h2,4-8,17H,9-11H2,(H2,25,27)/t17-,19-,20-/m1/s1
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n/an/a 9.03E+5n/an/an/an/an/an/a



Amgen Inc.

US Patent


Assay Description
Recombinant CatD was expressed in CHO cells. The assay buffer for CatD was 0.05 M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The CatD enzyme (9 nM) ...


US Patent US10889581 (2021)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM477927
PNG
((1S,5S,6S)-3-amino-5-(2-fluoro-5-((5-(2-propyn-1-y...)
Show SMILES CN(C)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(ccc1F)C#Cc1ccc(OCC#C)cn1
Show InChI InChI=1S/C25H23FN4O2S/c1-5-12-32-18-10-9-17(28-15-18)8-6-16-7-11-20(26)19(13-16)24(2)21-14-25(21,22(31)30(3)4)33-23(27)29-24/h1,7,9-11,13,15,21H,12,14H2,2-4H3,(H2,27,29)/t21-,24+,25-/m0/s1
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n/an/a 9.26E+5n/an/an/an/an/an/a



Amgen Inc.

US Patent


Assay Description
Recombinant CatD was expressed in CHO cells. The assay buffer for CatD was 0.05 M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The CatD enzyme (9 nM) ...


US Patent US10889581 (2021)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM477924
PNG
((1S,5S,6S)-3-amino-5-(5-((5-cyano-3-methylpyridin-...)
Show SMILES CN(C)C(=O)[C@]12C[C@H]1[C@](CF)(N=C(N)S2)c1cc(ccc1F)C#Cc1ncc(cc1C)C#N
Show InChI InChI=1S/C24H21F2N5OS/c1-14-8-16(11-27)12-29-19(14)7-5-15-4-6-18(26)17(9-15)23(13-25)20-10-24(20,21(32)31(2)3)33-22(28)30-23/h4,6,8-9,12,20H,10,13H2,1-3H3,(H2,28,30)/t20-,23+,24-/m0/s1
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n/an/a 9.69E+5n/an/an/an/an/an/a



Amgen Inc.

US Patent


Assay Description
Recombinant CatD was expressed in CHO cells. The assay buffer for CatD was 0.05 M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The CatD enzyme (9 nM) ...


US Patent US10889581 (2021)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM477928
PNG
((1S,5S,6S)-3-amino-5-(2-fluoro-5-((3-methyl-5-(oxa...)
Show SMILES CN(C)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(ccc1F)C#Cc1ncc(OCc2ncco2)cc1C
Show InChI InChI=1S/C27H26FN5O3S/c1-16-11-18(36-15-23-30-9-10-35-23)14-31-21(16)8-6-17-5-7-20(28)19(12-17)26(2)22-13-27(22,24(34)33(3)4)37-25(29)32-26/h5,7,9-12,14,22H,13,15H2,1-4H3,(H2,29,32)/t22-,26+,27-/m0/s1
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n/an/a 9.95E+5n/an/an/an/an/an/a



Amgen Inc.

US Patent


Assay Description
Recombinant CatD was expressed in CHO cells. The assay buffer for CatD was 0.05 M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The CatD enzyme (9 nM) ...


US Patent US10889581 (2021)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM477912
PNG
(6-((3-((1S,5S,6S)-3-amino-5-(fluoromethyl)-1-((4-m...)
Show SMILES Cc1cn(C[C@]23C[C@H]2[C@](CF)(N=C(N)S3)c2cc(ccc2F)C#Cc2ccc(cn2)C#N)nn1
Show InChI InChI=1S/C24H19F2N7S/c1-15-12-33(32-31-15)14-23-9-21(23)24(13-25,30-22(28)34-23)19-8-16(4-7-20(19)26)2-5-18-6-3-17(10-27)11-29-18/h3-4,6-8,11-12,21H,9,13-14H2,1H3,(H2,28,30)/t21-,23-,24-/m1/s1
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n/an/a 1.03E+6n/an/an/an/an/an/a



Amgen Inc.

US Patent


Assay Description
Recombinant CatD was expressed in CHO cells. The assay buffer for CatD was 0.05 M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The CatD enzyme (9 nM) ...


US Patent US10889581 (2021)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM477907
PNG
(6-((3-((1S,5S,6R)-3-amino-7,7-difluoro-1-(hydroxym...)
Show SMILES C[C@@]1(N=C(N)S[C@]2(CO)[C@H]1C2(F)F)c1cc(ccc1F)C#Cc1ccc(cn1)C#N
Show InChI InChI=1S/C21H15F3N4OS/c1-19(17-20(11-29,21(17,23)24)30-18(26)28-19)15-8-12(4-7-16(15)22)2-5-14-6-3-13(9-25)10-27-14/h3-4,6-8,10,17,29H,11H2,1H3,(H2,26,28)/t17-,19+,20+/m0/s1
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n/an/a 1.16E+6n/an/an/an/an/an/a



Amgen Inc.

US Patent


Assay Description
Recombinant CatD was expressed in CHO cells. The assay buffer for CatD was 0.05 M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The CatD enzyme (9 nM) ...


US Patent US10889581 (2021)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM477901
PNG
(6-((3-((1S,5S,6S)-3-amino-1,5-bis(fluoromethyl)-2-...)
Show SMILES Cc1cc(cnc1C#Cc1ccc(F)c(c1)[C@@]1(CF)N=C(N)S[C@@]2(CF)C[C@@H]12)C#N
Show InChI InChI=1S/C22H17F3N4S/c1-13-6-15(9-26)10-28-18(13)5-3-14-2-4-17(25)16(7-14)22(12-24)19-8-21(19,11-23)30-20(27)29-22/h2,4,6-7,10,19H,8,11-12H2,1H3,(H2,27,29)/t19-,21-,22-/m1/s1
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n/an/a 1.30E+6n/an/an/an/an/an/a



Amgen Inc.

US Patent


Assay Description
Recombinant CatD was expressed in CHO cells. The assay buffer for CatD was 0.05 M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The CatD enzyme (9 nM) ...


US Patent US10889581 (2021)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM477910
PNG
(2-((1R,5S,6S)-3-amino-5-(5-((5-cyanopyridin-2-yl)e...)
Show SMILES NC(=O)C[C@]12C[C@H]1[C@](CF)(N=C(N)S2)c1cc(ccc1F)C#Cc1ccc(cn1)C#N
Show InChI InChI=1S/C22H17F2N5OS/c23-12-22(18-8-21(18,9-19(26)30)31-20(27)29-22)16-7-13(3-6-17(16)24)1-4-15-5-2-14(10-25)11-28-15/h2-3,5-7,11,18H,8-9,12H2,(H2,26,30)(H2,27,29)/t18-,21-,22-/m1/s1
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n/an/a 1.42E+6n/an/an/an/an/an/a



Amgen Inc.

US Patent


Assay Description
Recombinant CatD was expressed in CHO cells. The assay buffer for CatD was 0.05 M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The CatD enzyme (9 nM) ...


US Patent US10889581 (2021)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM477898
PNG
(6-((3-((1S,5S,6S)-3-amino-1,5-bis(fluoromethyl)-2-...)
Show SMILES NC1=N[C@@](CF)([C@@H]2C[C@]2(CF)S1)c1cc(ccc1F)C#Cc1ccc(cn1)C#N
Show InChI InChI=1S/C21H15F3N4S/c22-11-20-8-18(20)21(12-23,28-19(26)29-20)16-7-13(3-6-17(16)24)1-4-15-5-2-14(9-25)10-27-15/h2-3,5-7,10,18H,8,11-12H2,(H2,26,28)/t18-,20-,21-/m1/s1
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n/an/a 2.86E+6n/an/an/an/an/an/a



Amgen Inc.

US Patent


Assay Description
Recombinant CatD was expressed in CHO cells. The assay buffer for CatD was 0.05 M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The CatD enzyme (9 nM) ...


US Patent US10889581 (2021)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM477897
PNG
(6-((3-((1S,5S,6S)-3-amino-5-(fluoromethyl)-1-(hydr...)
Show SMILES NC1=N[C@@](CF)([C@@H]2C[C@]2(CO)S1)c1cc(ccc1F)C#Cc1ccc(cn1)C#N
Show InChI InChI=1S/C21H16F2N4OS/c22-11-21(18-8-20(18,12-28)29-19(25)27-21)16-7-13(3-6-17(16)23)1-4-15-5-2-14(9-24)10-26-15/h2-3,5-7,10,18,28H,8,11-12H2,(H2,25,27)/t18-,20-,21-/m1/s1
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n/an/a 4.87E+6n/an/an/an/an/an/a



Amgen Inc.

US Patent


Assay Description
Recombinant CatD was expressed in CHO cells. The assay buffer for CatD was 0.05 M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The CatD enzyme (9 nM) ...


US Patent US10889581 (2021)

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