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16 similar compounds to monomer 136736

Compile data set for download or QSAR
Wt: 398.5
BDBM155114
Wt: 426.5
BDBM155116
Wt: 412.5
BDBM136768
Wt: 426.5
BDBM136878
Wt: 398.5
BDBM136833
Wt: 426.5
BDBM136913
Wt: 412.5
BDBM136733
Wt: 412.5
BDBM136734
Wt: 426.5
BDBM136826
Wt: 426.5
BDBM136939
Wt: 426.5
BDBM136830
Wt: 412.5
BDBM41542
Wt: 412.5
BDBM41537
Wt: 412.5
BDBM50393099
Wt: 426.5
BDBM50393106
Displayed 1 to 15 (of 16 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 59 hits for monomerid = 155114,155116,136768,136878,136833,136913,136733,136734,136826,136939,136830,41542,41537,50393099,50393106   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Beta-secretase 1


(Homo sapiens (Human))
BDBM41542
PNG
(US8865911, 122)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cncc(c2)C#CC)CC1
Show InChI InChI=1/C26H28N4O/c1-4-5-18-12-21(16-28-15-18)19-6-7-20-14-25(10-8-22(31-3)9-11-25)26(23(20)13-19)29-17(2)24(27)30-26/h6-7,12-13,15-16,22H,8-11,14H2,1-3H3,(H2,27,30)/t22-,25-,26-/s2
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26n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human BACE1 (1 to 460 residues) using CEVNLDAEFK as substrate preincubated for 10 mins followed by substrate addition measu...


J Med Chem 61: 3491-3502 (2018)

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


(Homo sapiens (Human))
BDBM41542
PNG
(US8865911, 122)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cncc(c2)C#CC)CC1
Show InChI InChI=1/C26H28N4O/c1-4-5-18-12-21(16-28-15-18)19-6-7-20-14-25(10-8-22(31-3)9-11-25)26(23(20)13-19)29-17(2)24(27)30-26/h6-7,12-13,15-16,22H,8-11,14H2,1-3H3,(H2,27,30)/t22-,25-,26-/s2
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372n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human BACE2 (1 to 473 residues) using CEVNLDAEFK as substrate preincubated for 10 mins followed by substrate addition measured after 6....


J Med Chem 61: 3491-3502 (2018)

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


(Homo sapiens (Human))
BDBM136733
PNG
(US8865911, 20a Isomer 1)
Show SMILES COC1CC[C@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cncc(c2)C#CC)CC1
Show InChI InChI=1/C26H28N4O/c1-4-5-18-12-21(16-28-15-18)19-6-7-20-14-25(10-8-22(31-3)9-11-25)26(23(20)13-19)29-17(2)24(27)30-26/h6-7,12-13,15-16,22H,8-11,14H2,1-3H3,(H2,27,30)/t22?,25-,26-/s2
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n/an/a 0.570n/an/an/an/a9.2n/a



Astrazeneca AB

US Patent


Assay Description
TR-FRET AssayThe beta-secretase enzyme used in the TR-FRET is prepared as follows: The cDNA for the soluble part of the human beta-Secretase (AA 1-AA...


US Patent US8865911 (2014)


BindingDB Entry DOI: 10.7270/Q2T72G4T
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM136734
PNG
(US8865911, 20a Isomer 2)
Show SMILES COC1CC[C@]2(Cc3ccc(cc3[C@]22N=C(C)C(N)=N2)-c2cncc(c2)C#CC)CC1
Show InChI InChI=1/C26H28N4O/c1-4-5-18-12-21(16-28-15-18)19-6-7-20-14-25(10-8-22(31-3)9-11-25)26(23(20)13-19)29-17(2)24(27)30-26/h6-7,12-13,15-16,22H,8-11,14H2,1-3H3,(H2,27,30)/t22?,25-,26-/s2
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n/an/a 7.72E+3n/an/an/an/a9.2n/a



Astrazeneca AB

US Patent


Assay Description
The beta-secretase enzyme used in the TR-FRET is prepared as follows: The cDNA for the soluble part of the human beta-Secretase (AA 1-AA 460) was clo...


US Patent US8865911 (2014)


BindingDB Entry DOI: 10.7270/Q2T72G4T
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM136768
PNG
(US10231967, Example 20y | US8865911, 20y | US99189...)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2ccnc(c2)C#CC)CC1
Show InChI InChI=1/C26H28N4O/c1-4-5-21-14-19(10-13-28-21)18-6-7-20-16-25(11-8-22(31-3)9-12-25)26(23(20)15-18)29-17(2)24(27)30-26/h6-7,10,13-15,22H,8-9,11-12,16H2,1-3H3,(H2,27,30)/t22-,25-,26?
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n/an/a 4.90n/an/an/an/a9.2n/a



Astrazeneca AB

US Patent


Assay Description
TR-FRET AssayThe beta-secretase enzyme used in the TR-FRET is prepared as follows: The cDNA for the soluble part of the human beta-Secretase (AA 1-AA...


US Patent US8865911 (2014)


BindingDB Entry DOI: 10.7270/Q2T72G4T
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM136826
PNG
(US10231967, Example 63 | US8865911, 63 | US9918985...)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cncc(C#CC)c2C)CC1
Show InChI InChI=1/C27H30N4O/c1-5-6-21-15-29-16-23(17(21)2)19-7-8-20-14-26(11-9-22(32-4)10-12-26)27(24(20)13-19)30-18(3)25(28)31-27/h7-8,13,15-16,22H,9-12,14H2,1-4H3,(H2,28,31)/t22-,26-,27?
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n/an/a 89n/an/an/an/a9.2n/a



Astrazeneca AB

US Patent


Assay Description
The beta-secretase enzyme used in the TR-FRET is prepared as follows: The cDNA for the soluble part of the human beta-Secretase (AA 1-AA 460) was clo...


US Patent US8865911 (2014)


BindingDB Entry DOI: 10.7270/Q2T72G4T
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM136830
PNG
(US10231967, Example 67 | US8865911, 67 | US8865911...)
Show SMILES CCC1=NC2(N=C1N)c1cc(ccc1C[C@@]21CC[C@@H](CC1)OC)-c1cncc(c1)C#CC
Show InChI InChI=1/C27H30N4O/c1-4-6-18-13-21(17-29-16-18)19-7-8-20-15-26(11-9-22(32-3)10-12-26)27(23(20)14-19)30-24(5-2)25(28)31-27/h7-8,13-14,16-17,22H,5,9-12,15H2,1-3H3,(H2,28,31)/t22-,26-,27?
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n/an/a 2n/an/an/an/a9.2n/a



Astrazeneca AB

US Patent


Assay Description
TR-FRET AssayThe beta-secretase enzyme used in the TR-FRET is prepared as follows: The cDNA for the soluble part of the human beta-Secretase (AA 1-AA...


US Patent US8865911 (2014)


BindingDB Entry DOI: 10.7270/Q2T72G4T
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM136830
PNG
(US10231967, Example 67 | US8865911, 67 | US8865911...)
Show SMILES CCC1=NC2(N=C1N)c1cc(ccc1C[C@@]21CC[C@@H](CC1)OC)-c1cncc(c1)C#CC
Show InChI InChI=1/C27H30N4O/c1-4-6-18-13-21(17-29-16-18)19-7-8-20-15-26(11-9-22(32-3)10-12-26)27(23(20)14-19)30-24(5-2)25(28)31-27/h7-8,13-14,16-17,22H,5,9-12,15H2,1-3H3,(H2,28,31)/t22-,26-,27?
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n/an/a 1.20n/an/an/an/a9.2n/a



Astrazeneca AB

US Patent


Assay Description
TR-FRET AssayThe beta-secretase enzyme used in the TR-FRET is prepared as follows: The cDNA for the soluble part of the human beta-Secretase (AA 1-AA...


US Patent US8865911 (2014)


BindingDB Entry DOI: 10.7270/Q2T72G4T
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM136939
PNG
(US8865911, 68 Isomer 2)
Show SMILES CCC1=NC2(N=C1N)c1cc(ccc1C[C@@]21CC[C@@H](CC1)OC)-c1cncc(c1)C#CC
Show InChI InChI=1/C27H30N4O/c1-4-6-18-13-21(17-29-16-18)19-7-8-20-15-26(11-9-22(32-3)10-12-26)27(23(20)14-19)30-24(5-2)25(28)31-27/h7-8,13-14,16-17,22H,5,9-12,15H2,1-3H3,(H2,28,31)/t22-,26-,27?
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n/an/a 9.97E+3n/an/an/an/a9.2n/a



Astrazeneca AB

US Patent


Assay Description
The beta-secretase enzyme used in the TR-FRET is prepared as follows: The cDNA for the soluble part of the human beta-Secretase (AA 1-AA 460) was clo...


US Patent US8865911 (2014)


BindingDB Entry DOI: 10.7270/Q2T72G4T
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50393106
PNG
(CHEMBL2152920 | US10231967, Example 72 | US9918985...)
Show SMILES CCC#Cc1cncc(c1)-c1ccc2C[C@@]3(CC[C@@H](CC3)OC)C3(N=C(C)C(N)=N3)c2c1
Show InChI InChI=1/C27H30N4O/c1-4-5-6-19-13-22(17-29-16-19)20-7-8-21-15-26(11-9-23(32-3)10-12-26)27(24(21)14-20)30-18(2)25(28)31-27/h7-8,13-14,16-17,23H,4,9-12,15H2,1-3H3,(H2,28,31)/t23-,26-,27?
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n/an/a 2.30n/an/an/an/a9.2n/a



Astrazeneca AB

US Patent


Assay Description
TR-FRET AssayThe beta-secretase enzyme used in the TR-FRET is prepared as follows: The cDNA for the soluble part of the human beta-Secretase (AA 1-AA...


US Patent US8865911 (2014)


BindingDB Entry DOI: 10.7270/Q2T72G4T
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM136833
PNG
(US10231967, Example 73 | US8865911, 73 | US9000182...)
Show SMILES CC#Cc1cncc(c1)-c1ccc2C[C@@]3(CC[C@H](O)CC3)[C@]3(N=C(C)C(N)=N3)c2c1
Show InChI InChI=1/C25H26N4O/c1-3-4-17-11-20(15-27-14-17)18-5-6-19-13-24(9-7-21(30)8-10-24)25(22(19)12-18)28-16(2)23(26)29-25/h5-6,11-12,14-15,21,30H,7-10,13H2,1-2H3,(H2,26,29)/t21-,24-,25-/s2
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n/an/a 1.30n/an/an/an/a9.2n/a



Astrazeneca AB

US Patent


Assay Description
TR-FRET AssayThe beta-secretase enzyme used in the TR-FRET is prepared as follows: The cDNA for the soluble part of the human beta-Secretase (AA 1-AA...


US Patent US8865911 (2014)


BindingDB Entry DOI: 10.7270/Q2T72G4T
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM136878
PNG
(US8865911, 111 | US9918985, Example 111)
Show SMILES CO[C@]1(C)CC[C@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cncc(c2)C#CC)CC1
Show InChI InChI=1/C27H30N4O/c1-5-6-19-13-22(17-29-16-19)20-7-8-21-15-26(11-9-25(3,32-4)10-12-26)27(23(21)14-20)30-18(2)24(28)31-27/h7-8,13-14,16-17H,9-12,15H2,1-4H3,(H2,28,31)/t25-,26-,27?
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n/an/a 51n/an/an/an/a9.2n/a



Astrazeneca AB

US Patent


Assay Description
The beta-secretase enzyme used in the TR-FRET is prepared as follows: The cDNA for the soluble part of the human beta-Secretase (AA 1-AA 460) was clo...


US Patent US8865911 (2014)


BindingDB Entry DOI: 10.7270/Q2T72G4T
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM136913
PNG
(US10231967, Example 135 | US8865911, 135 | US99189...)
Show SMILES CCO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cncc(c2)C#CC)CC1
Show InChI InChI=1/C27H30N4O/c1-4-6-19-13-22(17-29-16-19)20-7-8-21-15-26(11-9-23(10-12-26)32-5-2)27(24(21)14-20)30-18(3)25(28)31-27/h7-8,13-14,16-17,23H,5,9-12,15H2,1-3H3,(H2,28,31)/t23-,26-,27?
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n/an/a 22n/an/an/an/a9.2n/a



Astrazeneca AB

US Patent


Assay Description
The beta-secretase enzyme used in the TR-FRET is prepared as follows: The cDNA for the soluble part of the human beta-Secretase (AA 1-AA 460) was clo...


US Patent US8865911 (2014)


BindingDB Entry DOI: 10.7270/Q2T72G4T
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM136833
PNG
(US10231967, Example 73 | US8865911, 73 | US9000182...)
Show SMILES CC#Cc1cncc(c1)-c1ccc2C[C@@]3(CC[C@H](O)CC3)[C@]3(N=C(C)C(N)=N3)c2c1
Show InChI InChI=1/C25H26N4O/c1-3-4-17-11-20(15-27-14-17)18-5-6-19-13-24(9-7-21(30)8-10-24)25(22(19)12-18)28-16(2)23(26)29-25/h5-6,11-12,14-15,21,30H,7-10,13H2,1-2H3,(H2,26,29)/t21-,24-,25-/s2
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n/an/a 1.30n/an/an/an/a2.5n/a



AstraZeneca AB

US Patent


Assay Description
TR-FRET Assay: The beta -secretase enzyme used in the TR-FRET is prepared as follows:The cDNA for the soluble part of the human (3-Secretase (AA 1-AA...


US Patent US9000182 (2015)


BindingDB Entry DOI: 10.7270/Q2TH8KDP
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM155114
PNG
(US9000182, 21, isomer 2)
Show SMILES CC#Cc1cncc(c1)-c1ccc2C[C@@]3(CC[C@H](O)CC3)[C@@]3(N=C(C)C(N)=N3)c2c1
Show InChI InChI=1/C25H26N4O/c1-3-4-17-11-20(15-27-14-17)18-5-6-19-13-24(9-7-21(30)8-10-24)25(22(19)12-18)28-16(2)23(26)29-25/h5-6,11-12,14-15,21,30H,7-10,13H2,1-2H3,(H2,26,29)/t21-,24-,25-/s2
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n/an/a 6.53E+3n/an/an/an/a2.5n/a



AstraZeneca AB

US Patent


Assay Description
The beta -secretase enzyme used in the TR-FRET is prepared as follows:The cDNA for the soluble part of the human (3-Secretase (AA 1-AA 460) was clone...


US Patent US9000182 (2015)


BindingDB Entry DOI: 10.7270/Q2TH8KDP
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM136833
PNG
(US10231967, Example 73 | US8865911, 73 | US9000182...)
Show SMILES CC#Cc1cncc(c1)-c1ccc2C[C@@]3(CC[C@H](O)CC3)[C@]3(N=C(C)C(N)=N3)c2c1
Show InChI InChI=1/C25H26N4O/c1-3-4-17-11-20(15-27-14-17)18-5-6-19-13-24(9-7-21(30)8-10-24)25(22(19)12-18)28-16(2)23(26)29-25/h5-6,11-12,14-15,21,30H,7-10,13H2,1-2H3,(H2,26,29)/t21-,24-,25-/s2
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n/an/a 1n/an/an/an/an/a37



AstraZeneca AB

US Patent


Assay Description
SH-SY5Y cells were cultured in DMEM/F-12 with Glutamax, 10% FCS and 1% non-essential amino acids and cryopreserved and stored at -140 C. at a concent...


US Patent US9000182 (2015)


BindingDB Entry DOI: 10.7270/Q2TH8KDP
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM155116
PNG
(US9000183, 2)
Show SMILES CO[C@H]1CC[C@@]2(Cc3cc(C)c(cc3C22N=C(C)C(N)=N2)-c2cncc(c2)C#CC)CC1
Show InChI InChI=1/C27H30N4O/c1-5-6-19-12-21(16-29-15-19)23-13-24-20(11-17(23)2)14-26(9-7-22(32-4)8-10-26)27(24)30-18(3)25(28)31-27/h11-13,15-16,22H,7-10,14H2,1-4H3,(H2,28,31)/t22-,26-,27?
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n/an/a 15n/an/an/an/a2.5n/a



Astrazeneca AB

US Patent


Assay Description
TR-FRET Assay: The beta -secretase enzyme used in the TR-FRET is prepared as follows:The cDNA for the soluble part of the human beta -Secretase (AA 1...


US Patent US9000183 (2015)


BindingDB Entry DOI: 10.7270/Q2PR7TQD
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM155116
PNG
(US9000183, 2)
Show SMILES CO[C@H]1CC[C@@]2(Cc3cc(C)c(cc3C22N=C(C)C(N)=N2)-c2cncc(c2)C#CC)CC1
Show InChI InChI=1/C27H30N4O/c1-5-6-19-12-21(16-29-15-19)23-13-24-20(11-17(23)2)14-26(9-7-22(32-4)8-10-26)27(24)30-18(3)25(28)31-27/h11-13,15-16,22H,7-10,14H2,1-4H3,(H2,28,31)/t22-,26-,27?
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n/an/a 17n/an/an/an/an/a37



Astrazeneca AB

US Patent


Assay Description
SH-SY5Y cells were cultured in DMEM/F-12 with Glutamax, 10% FCS and 1% non-essential amino acids and cryopreserved and stored at -140 C. at a concent...


US Patent US9000183 (2015)


BindingDB Entry DOI: 10.7270/Q2PR7TQD
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50393099
PNG
(CHEMBL2152914 | US10231967, Example 122 | US991898...)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cncc(c2)C#CC)CC1
Show InChI InChI=1/C26H28N4O/c1-4-5-18-12-21(16-28-15-18)19-6-7-20-14-25(10-8-22(31-3)9-11-25)26(23(20)13-19)29-17(2)24(27)30-26/h6-7,12-13,15-16,22H,8-11,14H2,1-3H3,(H2,27,30)/t22-,25-,26?
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n/an/a 2.20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of BACE by TR-FRET assay


ACS Med Chem Lett 3: 875-876 (2012)


Article DOI: 10.1021/ml300324q
BindingDB Entry DOI: 10.7270/Q2VM4DC0
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50393106
PNG
(CHEMBL2152920 | US10231967, Example 72 | US9918985...)
Show SMILES CCC#Cc1cncc(c1)-c1ccc2C[C@@]3(CC[C@@H](CC3)OC)C3(N=C(C)C(N)=N3)c2c1
Show InChI InChI=1/C27H30N4O/c1-4-5-6-19-13-22(17-29-16-19)20-7-8-21-15-26(11-9-23(32-3)10-12-26)27(24(21)14-20)30-18(2)25(28)31-27/h7-8,13-14,16-17,23H,4,9-12,15H2,1-3H3,(H2,28,31)/t23-,26-,27?
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n/an/a 0.760n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of BACE by secreted APPbeta release assay


ACS Med Chem Lett 3: 875-876 (2012)


Article DOI: 10.1021/ml300324q
BindingDB Entry DOI: 10.7270/Q2VM4DC0
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50393106
PNG
(CHEMBL2152920 | US10231967, Example 72 | US9918985...)
Show SMILES CCC#Cc1cncc(c1)-c1ccc2C[C@@]3(CC[C@@H](CC3)OC)C3(N=C(C)C(N)=N3)c2c1
Show InChI InChI=1/C27H30N4O/c1-4-5-6-19-13-22(17-29-16-19)20-7-8-21-15-26(11-9-23(32-3)10-12-26)27(24(21)14-20)30-18(2)25(28)31-27/h7-8,13-14,16-17,23H,4,9-12,15H2,1-3H3,(H2,28,31)/t23-,26-,27?
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n/an/a 2.30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of BACE by TR-FRET assay


ACS Med Chem Lett 3: 875-876 (2012)


Article DOI: 10.1021/ml300324q
BindingDB Entry DOI: 10.7270/Q2VM4DC0
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50393099
PNG
(CHEMBL2152914 | US10231967, Example 122 | US991898...)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cncc(c2)C#CC)CC1
Show InChI InChI=1/C26H28N4O/c1-4-5-18-12-21(16-28-15-18)19-6-7-20-14-25(10-8-22(31-3)9-11-25)26(23(20)13-19)29-17(2)24(27)30-26/h6-7,12-13,15-16,22H,8-11,14H2,1-3H3,(H2,27,30)/t22-,25-,26?
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n/an/a 0.280n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of BACE by secreted APPbeta release assay


ACS Med Chem Lett 3: 875-876 (2012)


Article DOI: 10.1021/ml300324q
BindingDB Entry DOI: 10.7270/Q2VM4DC0
More data for this
Ligand-Target Pair
Beta-Secretase (AA 1-460)


(Homo sapiens (Human))
BDBM50393099
PNG
(CHEMBL2152914 | US10231967, Example 122 | US991898...)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cncc(c2)C#CC)CC1
Show InChI InChI=1/C26H28N4O/c1-4-5-18-12-21(16-28-15-18)19-6-7-20-14-25(10-8-22(31-3)9-11-25)26(23(20)13-19)29-17(2)24(27)30-26/h6-7,12-13,15-16,22H,8-11,14H2,1-3H3,(H2,27,30)/t22-,25-,26?
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n/an/a 2.20n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
The β-secretase enzyme used in the TR-FRET is prepared as follows: The cDNA for the soluble part of the human β-Secretase (AA 1-AA 460) was...


US Patent US10231967 (2019)

More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50393099
PNG
(CHEMBL2152914 | US10231967, Example 122 | US991898...)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cncc(c2)C#CC)CC1
Show InChI InChI=1/C26H28N4O/c1-4-5-18-12-21(16-28-15-18)19-6-7-20-14-25(10-8-22(31-3)9-11-25)26(23(20)13-19)29-17(2)24(27)30-26/h6-7,12-13,15-16,22H,8-11,14H2,1-3H3,(H2,27,30)/t22-,25-,26?
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n/an/a 0.280n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
SH-SY5Y cells were cultured in DMEM/F-12 with Glutamax, 10% FCS and 1% non-essential amino acids and cryopreserved and stored at −140 C. at a ...


US Patent US10231967 (2019)

More data for this
Ligand-Target Pair
Beta-Secretase (AA 1-460)


(Homo sapiens (Human))
BDBM50393099
PNG
(CHEMBL2152914 | US10231967, Example 122 | US991898...)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cncc(c2)C#CC)CC1
Show InChI InChI=1/C26H28N4O/c1-4-5-18-12-21(16-28-15-18)19-6-7-20-14-25(10-8-22(31-3)9-11-25)26(23(20)13-19)29-17(2)24(27)30-26/h6-7,12-13,15-16,22H,8-11,14H2,1-3H3,(H2,27,30)/t22-,25-,26?
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n/an/a 7.72E+3n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
The β-secretase enzyme used in the TR-FRET is prepared as follows: The cDNA for the soluble part of the human β-Secretase (AA 1-AA 460) was...


US Patent US10231967 (2019)

More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50393099
PNG
(CHEMBL2152914 | US10231967, Example 122 | US991898...)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cncc(c2)C#CC)CC1
Show InChI InChI=1/C26H28N4O/c1-4-5-18-12-21(16-28-15-18)19-6-7-20-14-25(10-8-22(31-3)9-11-25)26(23(20)13-19)29-17(2)24(27)30-26/h6-7,12-13,15-16,22H,8-11,14H2,1-3H3,(H2,27,30)/t22-,25-,26?
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n/an/a 0.100n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
SH-SY5Y cells were cultured in DMEM/F-12 with Glutamax, 10% FCS and 1% non-essential amino acids and cryopreserved and stored at −140 C. at a ...


US Patent US10231967 (2019)

More data for this
Ligand-Target Pair
Beta-Secretase (AA 1-460)


(Homo sapiens (Human))
BDBM50393099
PNG
(CHEMBL2152914 | US10231967, Example 122 | US991898...)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cncc(c2)C#CC)CC1
Show InChI InChI=1/C26H28N4O/c1-4-5-18-12-21(16-28-15-18)19-6-7-20-14-25(10-8-22(31-3)9-11-25)26(23(20)13-19)29-17(2)24(27)30-26/h6-7,12-13,15-16,22H,8-11,14H2,1-3H3,(H2,27,30)/t22-,25-,26?
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n/an/a 7.72E+3n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
The β-secretase enzyme used in the TR-FRET is prepared as follows: The cDNA for the soluble part of the human β-Secretase (AA 1-AA 460) was...


US Patent US10231967 (2019)

More data for this
Ligand-Target Pair
Beta-Secretase (AA 1-460)


(Homo sapiens (Human))
BDBM136768
PNG
(US10231967, Example 20y | US8865911, 20y | US99189...)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2ccnc(c2)C#CC)CC1
Show InChI InChI=1/C26H28N4O/c1-4-5-21-14-19(10-13-28-21)18-6-7-20-16-25(11-8-22(31-3)9-12-25)26(23(20)15-18)29-17(2)24(27)30-26/h6-7,10,13-15,22H,8-9,11-12,16H2,1-3H3,(H2,27,30)/t22-,25-,26?
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n/an/a 4.90n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
The β-secretase enzyme used in the TR-FRET is prepared as follows: The cDNA for the soluble part of the human β-Secretase (AA 1-AA 460) was...


US Patent US10231967 (2019)

More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM136768
PNG
(US10231967, Example 20y | US8865911, 20y | US99189...)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2ccnc(c2)C#CC)CC1
Show InChI InChI=1/C26H28N4O/c1-4-5-21-14-19(10-13-28-21)18-6-7-20-16-25(11-8-22(31-3)9-12-25)26(23(20)15-18)29-17(2)24(27)30-26/h6-7,10,13-15,22H,8-9,11-12,16H2,1-3H3,(H2,27,30)/t22-,25-,26?
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n/an/a 1.20n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
SH-SY5Y cells were cultured in DMEM/F-12 with Glutamax, 10% FCS and 1% non-essential amino acids and cryopreserved and stored at −140 C. at a ...


US Patent US10231967 (2019)

More data for this
Ligand-Target Pair
Beta-Secretase (AA 1-460)


(Homo sapiens (Human))
BDBM136826
PNG
(US10231967, Example 63 | US8865911, 63 | US9918985...)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cncc(C#CC)c2C)CC1
Show InChI InChI=1/C27H30N4O/c1-5-6-21-15-29-16-23(17(21)2)19-7-8-20-14-26(11-9-22(32-4)10-12-26)27(24(20)13-19)30-18(3)25(28)31-27/h7-8,13,15-16,22H,9-12,14H2,1-4H3,(H2,28,31)/t22-,26-,27?
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n/an/a 89n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
The β-secretase enzyme used in the TR-FRET is prepared as follows: The cDNA for the soluble part of the human β-Secretase (AA 1-AA 460) was...


US Patent US10231967 (2019)

More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM136826
PNG
(US10231967, Example 63 | US8865911, 63 | US9918985...)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cncc(C#CC)c2C)CC1
Show InChI InChI=1/C27H30N4O/c1-5-6-21-15-29-16-23(17(21)2)19-7-8-20-14-26(11-9-22(32-4)10-12-26)27(24(20)13-19)30-18(3)25(28)31-27/h7-8,13,15-16,22H,9-12,14H2,1-4H3,(H2,28,31)/t22-,26-,27?
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n/an/a 29n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
SH-SY5Y cells were cultured in DMEM/F-12 with Glutamax, 10% FCS and 1% non-essential amino acids and cryopreserved and stored at −140 C. at a ...


US Patent US10231967 (2019)

More data for this
Ligand-Target Pair
Beta-Secretase (AA 1-460)


(Homo sapiens (Human))
BDBM136830
PNG
(US10231967, Example 67 | US8865911, 67 | US8865911...)
Show SMILES CCC1=NC2(N=C1N)c1cc(ccc1C[C@@]21CC[C@@H](CC1)OC)-c1cncc(c1)C#CC
Show InChI InChI=1/C27H30N4O/c1-4-6-18-13-21(17-29-16-18)19-7-8-20-15-26(11-9-22(32-3)10-12-26)27(23(20)14-19)30-24(5-2)25(28)31-27/h7-8,13-14,16-17,22H,5,9-12,15H2,1-3H3,(H2,28,31)/t22-,26-,27?
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n/an/a 2n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
The β-secretase enzyme used in the TR-FRET is prepared as follows: The cDNA for the soluble part of the human β-Secretase (AA 1-AA 460) was...


US Patent US10231967 (2019)

More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM136830
PNG
(US10231967, Example 67 | US8865911, 67 | US8865911...)
Show SMILES CCC1=NC2(N=C1N)c1cc(ccc1C[C@@]21CC[C@@H](CC1)OC)-c1cncc(c1)C#CC
Show InChI InChI=1/C27H30N4O/c1-4-6-18-13-21(17-29-16-18)19-7-8-20-15-26(11-9-22(32-3)10-12-26)27(23(20)14-19)30-24(5-2)25(28)31-27/h7-8,13-14,16-17,22H,5,9-12,15H2,1-3H3,(H2,28,31)/t22-,26-,27?
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n/an/a 0.810n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
SH-SY5Y cells were cultured in DMEM/F-12 with Glutamax, 10% FCS and 1% non-essential amino acids and cryopreserved and stored at −140 C. at a ...


US Patent US10231967 (2019)

More data for this
Ligand-Target Pair
Beta-Secretase (AA 1-460)


(Homo sapiens (Human))
BDBM50393106
PNG
(CHEMBL2152920 | US10231967, Example 72 | US9918985...)
Show SMILES CCC#Cc1cncc(c1)-c1ccc2C[C@@]3(CC[C@@H](CC3)OC)C3(N=C(C)C(N)=N3)c2c1
Show InChI InChI=1/C27H30N4O/c1-4-5-6-19-13-22(17-29-16-19)20-7-8-21-15-26(11-9-23(32-3)10-12-26)27(24(21)14-20)30-18(2)25(28)31-27/h7-8,13-14,16-17,23H,4,9-12,15H2,1-3H3,(H2,28,31)/t23-,26-,27?
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n/an/a 2.30n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
The β-secretase enzyme used in the TR-FRET is prepared as follows: The cDNA for the soluble part of the human β-Secretase (AA 1-AA 460) was...


US Patent US10231967 (2019)

More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50393106
PNG
(CHEMBL2152920 | US10231967, Example 72 | US9918985...)
Show SMILES CCC#Cc1cncc(c1)-c1ccc2C[C@@]3(CC[C@@H](CC3)OC)C3(N=C(C)C(N)=N3)c2c1
Show InChI InChI=1/C27H30N4O/c1-4-5-6-19-13-22(17-29-16-19)20-7-8-21-15-26(11-9-23(32-3)10-12-26)27(24(21)14-20)30-18(2)25(28)31-27/h7-8,13-14,16-17,23H,4,9-12,15H2,1-3H3,(H2,28,31)/t23-,26-,27?
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n/an/a 0.760n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
SH-SY5Y cells were cultured in DMEM/F-12 with Glutamax, 10% FCS and 1% non-essential amino acids and cryopreserved and stored at −140 C. at a ...


US Patent US10231967 (2019)

More data for this
Ligand-Target Pair
Beta-Secretase (AA 1-460)


(Homo sapiens (Human))
BDBM136833
PNG
(US10231967, Example 73 | US8865911, 73 | US9000182...)
Show SMILES CC#Cc1cncc(c1)-c1ccc2C[C@@]3(CC[C@H](O)CC3)[C@]3(N=C(C)C(N)=N3)c2c1
Show InChI InChI=1/C25H26N4O/c1-3-4-17-11-20(15-27-14-17)18-5-6-19-13-24(9-7-21(30)8-10-24)25(22(19)12-18)28-16(2)23(26)29-25/h5-6,11-12,14-15,21,30H,7-10,13H2,1-2H3,(H2,26,29)/t21-,24-,25-/s2
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n/an/a 1.30n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
The β-secretase enzyme used in the TR-FRET is prepared as follows: The cDNA for the soluble part of the human β-Secretase (AA 1-AA 460) was...


US Patent US10231967 (2019)

More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM136833
PNG
(US10231967, Example 73 | US8865911, 73 | US9000182...)
Show SMILES CC#Cc1cncc(c1)-c1ccc2C[C@@]3(CC[C@H](O)CC3)[C@]3(N=C(C)C(N)=N3)c2c1
Show InChI InChI=1/C25H26N4O/c1-3-4-17-11-20(15-27-14-17)18-5-6-19-13-24(9-7-21(30)8-10-24)25(22(19)12-18)28-16(2)23(26)29-25/h5-6,11-12,14-15,21,30H,7-10,13H2,1-2H3,(H2,26,29)/t21-,24-,25-/s2
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n/an/a 1n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
SH-SY5Y cells were cultured in DMEM/F-12 with Glutamax, 10% FCS and 1% non-essential amino acids and cryopreserved and stored at −140 C. at a ...


US Patent US10231967 (2019)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM50393099
PNG
(CHEMBL2152914 | US10231967, Example 122 | US991898...)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cncc(c2)C#CC)CC1
Show InChI InChI=1/C26H28N4O/c1-4-5-18-12-21(16-28-15-18)19-6-7-20-14-25(10-8-22(31-3)9-11-25)26(23(20)13-19)29-17(2)24(27)30-26/h6-7,12-13,15-16,22H,8-11,14H2,1-3H3,(H2,27,30)/t22-,25-,26?
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n/an/a 2.20n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM50393099
PNG
(CHEMBL2152914 | US10231967, Example 122 | US991898...)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cncc(c2)C#CC)CC1
Show InChI InChI=1/C26H28N4O/c1-4-5-18-12-21(16-28-15-18)19-6-7-20-14-25(10-8-22(31-3)9-11-25)26(23(20)13-19)29-17(2)24(27)30-26/h6-7,12-13,15-16,22H,8-11,14H2,1-3H3,(H2,27,30)/t22-,25-,26?
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n/an/a 7.72E+3n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-Secretase (AA 1-460)


(Homo sapiens (Human))
BDBM41537
PNG
(US10231967, Example 114 | US8865911, 114 | US99189...)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cncc(c2)C#CC)CC1
Show InChI InChI=1/C26H28N4O/c1-4-5-18-12-21(16-28-15-18)19-6-7-20-14-25(10-8-22(31-3)9-11-25)26(23(20)13-19)29-17(2)24(27)30-26/h6-7,12-13,15-16,22H,8-11,14H2,1-3H3,(H2,27,30)/t22-,25-,26-/s2
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n/an/a 1.20n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
The β-secretase enzyme used in the TR-FRET is prepared as follows: The cDNA for the soluble part of the human β-Secretase (AA 1-AA 460) was...


US Patent US10231967 (2019)

More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM41537
PNG
(US10231967, Example 114 | US8865911, 114 | US99189...)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cncc(c2)C#CC)CC1
Show InChI InChI=1/C26H28N4O/c1-4-5-18-12-21(16-28-15-18)19-6-7-20-14-25(10-8-22(31-3)9-11-25)26(23(20)13-19)29-17(2)24(27)30-26/h6-7,12-13,15-16,22H,8-11,14H2,1-3H3,(H2,27,30)/t22-,25-,26-/s2
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n/an/a 0.140n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
SH-SY5Y cells were cultured in DMEM/F-12 with Glutamax, 10% FCS and 1% non-essential amino acids and cryopreserved and stored at −140 C. at a ...


US Patent US10231967 (2019)

More data for this
Ligand-Target Pair
Beta-Secretase (AA 1-460)


(Homo sapiens (Human))
BDBM50393099
PNG
(CHEMBL2152914 | US10231967, Example 122 | US991898...)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cncc(c2)C#CC)CC1
Show InChI InChI=1/C26H28N4O/c1-4-5-18-12-21(16-28-15-18)19-6-7-20-14-25(10-8-22(31-3)9-11-25)26(23(20)13-19)29-17(2)24(27)30-26/h6-7,12-13,15-16,22H,8-11,14H2,1-3H3,(H2,27,30)/t22-,25-,26?
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n/an/a 25n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
The β-secretase enzyme used in the TR-FRET is prepared as follows: The cDNA for the soluble part of the human β-Secretase (AA 1-AA 460) was...


US Patent US10231967 (2019)

More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50393099
PNG
(CHEMBL2152914 | US10231967, Example 122 | US991898...)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cncc(c2)C#CC)CC1
Show InChI InChI=1/C26H28N4O/c1-4-5-18-12-21(16-28-15-18)19-6-7-20-14-25(10-8-22(31-3)9-11-25)26(23(20)13-19)29-17(2)24(27)30-26/h6-7,12-13,15-16,22H,8-11,14H2,1-3H3,(H2,27,30)/t22-,25-,26?
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n/an/a 0.300n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
SH-SY5Y cells were cultured in DMEM/F-12 with Glutamax, 10% FCS and 1% non-essential amino acids and cryopreserved and stored at −140 C. at a ...


US Patent US10231967 (2019)

More data for this
Ligand-Target Pair
Beta-Secretase (AA 1-460)


(Homo sapiens (Human))
BDBM136913
PNG
(US10231967, Example 135 | US8865911, 135 | US99189...)
Show SMILES CCO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cncc(c2)C#CC)CC1
Show InChI InChI=1/C27H30N4O/c1-4-6-19-13-22(17-29-16-19)20-7-8-21-15-26(11-9-23(10-12-26)32-5-2)27(24(21)14-20)30-18(3)25(28)31-27/h7-8,13-14,16-17,23H,5,9-12,15H2,1-3H3,(H2,28,31)/t23-,26-,27?
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n/an/a 22n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
The β-secretase enzyme used in the TR-FRET is prepared as follows: The cDNA for the soluble part of the human β-Secretase (AA 1-AA 460) was...


US Patent US10231967 (2019)

More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM136913
PNG
(US10231967, Example 135 | US8865911, 135 | US99189...)
Show SMILES CCO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cncc(c2)C#CC)CC1
Show InChI InChI=1/C27H30N4O/c1-4-6-19-13-22(17-29-16-19)20-7-8-21-15-26(11-9-23(10-12-26)32-5-2)27(24(21)14-20)30-18(3)25(28)31-27/h7-8,13-14,16-17,23H,5,9-12,15H2,1-3H3,(H2,28,31)/t23-,26-,27?
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n/an/a 0.850n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
SH-SY5Y cells were cultured in DMEM/F-12 with Glutamax, 10% FCS and 1% non-essential amino acids and cryopreserved and stored at −140 C. at a ...


US Patent US10231967 (2019)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136768
PNG
(US10231967, Example 20y | US8865911, 20y | US99189...)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2ccnc(c2)C#CC)CC1
Show InChI InChI=1/C26H28N4O/c1-4-5-21-14-19(10-13-28-21)18-6-7-20-16-25(11-8-22(31-3)9-12-25)26(23(20)15-18)29-17(2)24(27)30-26/h6-7,10,13-15,22H,8-9,11-12,16H2,1-3H3,(H2,27,30)/t22-,25-,26?
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n/an/a 4.90n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136826
PNG
(US10231967, Example 63 | US8865911, 63 | US9918985...)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cncc(C#CC)c2C)CC1
Show InChI InChI=1/C27H30N4O/c1-5-6-21-15-29-16-23(17(21)2)19-7-8-20-14-26(11-9-22(32-4)10-12-26)27(24(20)13-19)30-18(3)25(28)31-27/h7-8,13,15-16,22H,9-12,14H2,1-4H3,(H2,28,31)/t22-,26-,27?
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n/an/a 89n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136830
PNG
(US10231967, Example 67 | US8865911, 67 | US8865911...)
Show SMILES CCC1=NC2(N=C1N)c1cc(ccc1C[C@@]21CC[C@@H](CC1)OC)-c1cncc(c1)C#CC
Show InChI InChI=1/C27H30N4O/c1-4-6-18-13-21(17-29-16-18)19-7-8-20-15-26(11-9-22(32-3)10-12-26)27(23(20)14-19)30-24(5-2)25(28)31-27/h7-8,13-14,16-17,22H,5,9-12,15H2,1-3H3,(H2,28,31)/t22-,26-,27?
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n/an/a 2n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136830
PNG
(US10231967, Example 67 | US8865911, 67 | US8865911...)
Show SMILES CCC1=NC2(N=C1N)c1cc(ccc1C[C@@]21CC[C@@H](CC1)OC)-c1cncc(c1)C#CC
Show InChI InChI=1/C27H30N4O/c1-4-6-18-13-21(17-29-16-18)19-7-8-20-15-26(11-9-22(32-3)10-12-26)27(23(20)14-19)30-24(5-2)25(28)31-27/h7-8,13-14,16-17,22H,5,9-12,15H2,1-3H3,(H2,28,31)/t22-,26-,27?
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n/an/a 1.20n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM136830
PNG
(US10231967, Example 67 | US8865911, 67 | US8865911...)
Show SMILES CCC1=NC2(N=C1N)c1cc(ccc1C[C@@]21CC[C@@H](CC1)OC)-c1cncc(c1)C#CC
Show InChI InChI=1/C27H30N4O/c1-4-6-18-13-21(17-29-16-18)19-7-8-20-15-26(11-9-22(32-3)10-12-26)27(23(20)14-19)30-24(5-2)25(28)31-27/h7-8,13-14,16-17,22H,5,9-12,15H2,1-3H3,(H2,28,31)/t22-,26-,27?
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n/an/a 9.97E+3n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...


US Patent US9918985 (2018)

More data for this
Ligand-Target Pair
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