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Patent code US9353084

Compile Data Set for Download or QSAR
Found 49 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Beta-secretase 1


(Homo sapiens (Human))
BDBM234465
PNG
(US9353084, 18)
Show SMILES Cc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@@](C)(F)CC1(F)F)C#N
Show InChI InChI=1S/C21H19F4N5O/c1-11-6-12(8-26)9-28-16(11)17(31)29-13-4-5-15(22)14(7-13)20(3)21(24,25)10-19(2,23)18(27)30-20/h4-7,9H,10H2,1-3H3,(H2,27,30)(H,29,31)/t19-,20+/m0/s1
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4.30n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

US Patent


Assay Description
The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM234464
PNG
(US9353084, 17)
Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@@](C)(F)CC1(F)F
Show InChI InChI=1S/C20H20F4N4O2/c1-18(22)10-20(23,24)19(2,28-17(18)25)13-8-11(4-6-14(13)21)27-16(29)15-7-5-12(30-3)9-26-15/h4-9H,10H2,1-3H3,(H2,25,28)(H,27,29)/t18-,19+/m0/s1
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11n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

US Patent


Assay Description
The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM234451
PNG
(US9353084, 4)
Show SMILES C[C@]1(F)CC(F)(F)[C@](C)(N=C1N)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F
Show InChI InChI=1S/C20H17F4N5O/c1-18(22)10-20(23,24)19(2,29-17(18)26)13-7-12(4-5-14(13)21)28-16(30)15-6-3-11(8-25)9-27-15/h3-7,9H,10H2,1-2H3,(H2,26,29)(H,28,30)/t18-,19+/m0/s1
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11n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

US Patent


Assay Description
The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM234450
PNG
(US9353084, 3)
Show SMILES C[C@]1(F)CC(F)(F)[C@](C)(N=C1N)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F
Show InChI InChI=1S/C19H17ClF4N4O/c1-17(22)9-19(23,24)18(2,28-16(17)25)12-7-11(4-5-13(12)21)27-15(29)14-6-3-10(20)8-26-14/h3-8H,9H2,1-2H3,(H2,25,28)(H,27,29)/t17-,18+/m0/s1
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12n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

US Patent


Assay Description
The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM234491
PNG
(US9353084, 45)
Show SMILES C[C@]1(F)CC(F)(F)[C@](C)(N=C1N)c1cc(NC(=O)c2ccc(OC(F)F)cn2)ccc1F
Show InChI InChI=1S/C20H18F6N4O2/c1-18(24)9-20(25,26)19(2,30-16(18)27)12-7-10(3-5-13(12)21)29-15(31)14-6-4-11(8-28-14)32-17(22)23/h3-8,17H,9H2,1-2H3,(H2,27,30)(H,29,31)/t18-,19+/m0/s1
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14n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

US Patent


Assay Description
The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM234496
PNG
(US9353084, 48)
Show SMILES COc1cnc(C(=O)Nc2ccc(F)c(c2)[C@@]2(C)N=C(N)[C@@](C)(F)CC2(F)F)c(C)c1
Show InChI InChI=1S/C21H22F4N4O2/c1-11-7-13(31-4)9-27-16(11)17(30)28-12-5-6-15(22)14(8-12)20(3)21(24,25)10-19(2,23)18(26)29-20/h5-9H,10H2,1-4H3,(H2,26,29)(H,28,30)/t19-,20+/m0/s1
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14n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

US Patent


Assay Description
The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM234492
PNG
(US9353084, 46)
Show SMILES COc1cnc(C(=O)Nc2ccc(F)c(c2)[C@@]2(C)N=C(N)[C@@](C)(F)CC2(F)F)c(F)c1
Show InChI InChI=1S/C20H19F5N4O2/c1-18(23)9-20(24,25)19(2,29-17(18)26)12-6-10(4-5-13(12)21)28-16(30)15-14(22)7-11(31-3)8-27-15/h4-8H,9H2,1-3H3,(H2,26,29)(H,28,30)/t18-,19+/m0/s1
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14n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

US Patent


Assay Description
The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM234452
PNG
(US9353084, 5)
Show SMILES COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@@](C)(F)CC1(F)F
Show InChI InChI=1S/C19H19F4N5O2/c1-17(21)9-19(22,23)18(2,28-16(17)24)11-6-10(4-5-12(11)20)27-15(29)13-7-26-14(30-3)8-25-13/h4-8H,9H2,1-3H3,(H2,24,28)(H,27,29)/t17-,18+/m0/s1
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18n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

US Patent


Assay Description
The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM234453
PNG
(US9353084, 6)
Show SMILES C[C@]1(F)CC(F)(F)[C@](C)(N=C1N)c1cc(NC(=O)c2ccn(n2)C(F)F)ccc1F
Show InChI InChI=1S/C18H17F6N5O/c1-16(22)8-18(23,24)17(2,27-14(16)25)10-7-9(3-4-11(10)19)26-13(30)12-5-6-29(28-12)15(20)21/h3-7,15H,8H2,1-2H3,(H2,25,27)(H,26,30)/t16-,17+/m0/s1
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19n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

US Patent


Assay Description
The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM234460
PNG
(US9353084, 13)
Show SMILES C[C@]1(F)CC(F)(F)[C@](C)(N=C1N)c1cc(NC(=O)c2coc(n2)C(F)F)ccc1F
Show InChI InChI=1S/C18H16F6N4O2/c1-16(22)7-18(23,24)17(2,28-15(16)25)9-5-8(3-4-10(9)19)26-13(29)11-6-30-14(27-11)12(20)21/h3-6,12H,7H2,1-2H3,(H2,25,28)(H,26,29)/t16-,17+/m0/s1
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28n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

US Patent


Assay Description
The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM234459
PNG
(US9353084, 12)
Show SMILES COc1cnc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@@](C)(F)CC1(F)F
Show InChI InChI=1S/C19H19F4N5O2/c1-17(21)9-19(22,23)18(2,28-16(17)24)12-6-10(4-5-13(12)20)27-15(29)14-25-7-11(30-3)8-26-14/h4-8H,9H2,1-3H3,(H2,24,28)(H,27,29)/t17-,18+/m0/s1
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29n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

US Patent


Assay Description
The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM234466
PNG
(US9353084, 19)
Show SMILES COc1cnc(C(=O)Nc2ccc(F)c(c2)[C@@]2(C)N=C(N)[C@@](C)(F)CC2(F)F)c(C)n1
Show InChI InChI=1S/C20H21F4N5O2/c1-10-15(26-8-14(27-10)31-4)16(30)28-11-5-6-13(21)12(7-11)19(3)20(23,24)9-18(2,22)17(25)29-19/h5-8H,9H2,1-4H3,(H2,25,29)(H,28,30)/t18-,19+/m0/s1
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32n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

US Patent


Assay Description
The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM234454
PNG
(US9353084, 7)
Show SMILES Cc1nc(co1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@@](C)(F)CC1(F)F
Show InChI InChI=1S/C18H18F4N4O2/c1-9-24-13(7-28-9)14(27)25-10-4-5-12(19)11(6-10)17(3)18(21,22)8-16(2,20)15(23)26-17/h4-7H,8H2,1-3H3,(H2,23,26)(H,25,27)/t16-,17+/m0/s1
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33n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

US Patent


Assay Description
The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM234461
PNG
(US9353084, 14)
Show SMILES C[C@]1(F)CC(F)(F)[C@](C)(N=C1N)c1cc(NC(=O)c2nc(CF)co2)ccc1F
Show InChI InChI=1S/C18H17F5N4O2/c1-16(21)8-18(22,23)17(2,27-15(16)24)11-5-9(3-4-12(11)20)25-13(28)14-26-10(6-19)7-29-14/h3-5,7H,6,8H2,1-2H3,(H2,24,27)(H,25,28)/t16-,17+/m0/s1
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37n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

US Patent


Assay Description
The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM234457
PNG
(US9353084, 10)
Show SMILES Cc1csc(n1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@@](C)(F)CC1(F)F
Show InChI InChI=1S/C18H18F4N4OS/c1-9-7-28-14(24-9)13(27)25-10-4-5-12(19)11(6-10)17(3)18(21,22)8-16(2,20)15(23)26-17/h4-7H,8H2,1-3H3,(H2,23,26)(H,25,27)/t16-,17+/m0/s1
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44n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

US Patent


Assay Description
The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM234462
PNG
(US9353084, 15)
Show SMILES C[C@]1(F)CC(F)(F)[C@](C)(N=C1N)c1cc(NC(=O)c2nc(CF)cs2)ccc1F
Show InChI InChI=1S/C18H17F5N4OS/c1-16(21)8-18(22,23)17(2,27-15(16)24)11-5-9(3-4-12(11)20)25-13(28)14-26-10(6-19)7-29-14/h3-5,7H,6,8H2,1-2H3,(H2,24,27)(H,25,28)/t16-,17+/m0/s1
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46n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

US Patent


Assay Description
The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM234479
PNG
(US9353084, 32)
Show SMILES C[C@@]1(F)CC(F)(F)[C@](C)(N=C1N)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F
Show InChI InChI=1S/C20H17F4N5O/c1-18(22)10-20(23,24)19(2,29-17(18)26)13-7-12(4-5-14(13)21)28-16(30)15-6-3-11(8-25)9-27-15/h3-7,9H,10H2,1-2H3,(H2,26,29)(H,28,30)/t18-,19-/m1/s1
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51n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

US Patent


Assay Description
The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM234463
PNG
(US9353084, 16)
Show SMILES C[C@]1(F)CC(F)(F)[C@](C)(N=C1N)c1cc(NC(=O)c2cnc(cn2)C(F)F)ccc1F
Show InChI InChI=1S/C19H17F6N5O/c1-17(23)8-19(24,25)18(2,30-16(17)26)10-5-9(3-4-11(10)20)29-15(31)13-7-27-12(6-28-13)14(21)22/h3-7,14H,8H2,1-2H3,(H2,26,30)(H,29,31)/t17-,18+/m0/s1
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58n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

US Patent


Assay Description
The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM234468
PNG
(US9353084, 21)
Show SMILES Cc1noc(n1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@@](C)(F)CC1(F)F
Show InChI InChI=1S/C17H17F4N5O2/c1-8-23-13(28-26-8)12(27)24-9-4-5-11(18)10(6-9)16(3)17(20,21)7-15(2,19)14(22)25-16/h4-6H,7H2,1-3H3,(H2,22,25)(H,24,27)/t15-,16+/m0/s1
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58n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

US Patent


Assay Description
The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM234494
PNG
(US9353084, 49)
Show SMILES Cc1cc(F)cnc1C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@@](C)(F)CC1(F)F
Show InChI InChI=1S/C20H19F5N4O/c1-10-6-11(21)8-27-15(10)16(30)28-12-4-5-14(22)13(7-12)19(3)20(24,25)9-18(2,23)17(26)29-19/h4-8H,9H2,1-3H3,(H2,26,29)(H,28,30)/t18-,19+/m0/s1
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60n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

US Patent


Assay Description
The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM234480
PNG
(US9353084, 33)
Show SMILES C[C@@]1(F)CC(F)(F)[C@](C)(N=C1N)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F
Show InChI InChI=1S/C19H17ClF4N4O/c1-17(22)9-19(23,24)18(2,28-16(17)25)12-7-11(4-5-13(12)21)27-15(29)14-6-3-10(20)8-26-14/h3-8H,9H2,1-2H3,(H2,25,28)(H,27,29)/t17-,18-/m1/s1
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62n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

US Patent


Assay Description
The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM234458
PNG
(US9353084, 11)
Show SMILES C[C@]1(F)CC(F)(F)[C@](C)(N=C1N)c1cc(NC(=O)c2ccc(cn2)C(F)(F)F)ccc1F
Show InChI InChI=1S/C20H17F7N4O/c1-17(22)9-19(23,24)18(2,31-16(17)28)12-7-11(4-5-13(12)21)30-15(32)14-6-3-10(8-29-14)20(25,26)27/h3-8H,9H2,1-2H3,(H2,28,31)(H,30,32)/t17-,18+/m0/s1
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63n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

US Patent


Assay Description
The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM234493
PNG
(US9353084, 47)
Show SMILES Cc1nc(C(=O)Nc2ccc(F)c(c2)[C@@]2(C)N=C(N)[C@@](C)(F)CC2(F)F)c(C)o1
Show InChI InChI=1S/C19H20F4N4O2/c1-9-14(25-10(2)29-9)15(28)26-11-5-6-13(20)12(7-11)18(4)19(22,23)8-17(3,21)16(24)27-18/h5-7H,8H2,1-4H3,(H2,24,27)(H,26,28)/t17-,18+/m0/s1
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65n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

US Patent


Assay Description
The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM234455
PNG
(US9353084, 8)
Show SMILES C[C@]1(F)CC(F)(F)[C@](C)(N=C1N)c1cc(NC(=O)c2nccs2)ccc1F
Show InChI InChI=1S/C17H16F4N4OS/c1-15(19)8-17(20,21)16(2,25-14(15)22)10-7-9(3-4-11(10)18)24-12(26)13-23-5-6-27-13/h3-7H,8H2,1-2H3,(H2,22,25)(H,24,26)/t15-,16+/m0/s1
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66n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

US Patent


Assay Description
The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM234470
PNG
(US9353084, 23)
Show SMILES C[C@@]1(F)CC(F)(F)[C@](C)(N=C1N)c1cc(NC(=O)c2ccn(n2)C(F)F)ccc1F
Show InChI InChI=1S/C18H17F6N5O/c1-16(22)8-18(23,24)17(2,27-14(16)25)10-7-9(3-4-11(10)19)26-13(30)12-5-6-29(28-12)15(20)21/h3-7,15H,8H2,1-2H3,(H2,25,27)(H,26,30)/t16-,17-/m1/s1
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71n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

US Patent


Assay Description
The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM234448
PNG
(US9353084, 1)
Show SMILES C[C@]1(F)CC(F)(F)[C@](C)(N=C1N)c1cc(NC(=O)c2ccc(F)cn2)ccc1F
Show InChI InChI=1S/C19H17F5N4O/c1-17(22)9-19(23,24)18(2,28-16(17)25)12-7-11(4-5-13(12)21)27-15(29)14-6-3-10(20)8-26-14/h3-8H,9H2,1-2H3,(H2,25,28)(H,27,29)/t17-,18+/m0/s1
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83n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

US Patent


Assay Description
The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM234495
PNG
(US9353084, 43)
Show SMILES COc1ccc(cc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@](C)(F)CC1(F)F
Show InChI InChI=1S/C21H21F4N3O2/c1-19(23)11-21(24,25)20(2,28-18(19)26)15-10-13(6-9-16(15)22)27-17(29)12-4-7-14(30-3)8-5-12/h4-10H,11H2,1-3H3,(H2,26,28)(H,27,29)/t19-,20-/m1/s1
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91n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

US Patent


Assay Description
The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM234476
PNG
(US9353084, 29)
Show SMILES C[C@@]1(F)CC(F)(F)[C@](C)(N=C1N)c1cc(NC(=O)c2coc(n2)C(F)F)ccc1F
Show InChI InChI=1S/C18H16F6N4O2/c1-16(22)7-18(23,24)17(2,28-15(16)25)9-5-8(3-4-10(9)19)26-13(29)11-6-30-14(27-11)12(20)21/h3-6,12H,7H2,1-2H3,(H2,25,28)(H,26,29)/t16-,17-/m1/s1
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92n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

US Patent


Assay Description
The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM234478
PNG
(US9353084, 31)
Show SMILES C[C@@]1(F)CC(F)(F)[C@](C)(N=C1N)c1cc(NC(=O)c2nc(CF)cs2)ccc1F
Show InChI InChI=1S/C18H17F5N4OS/c1-16(21)8-18(22,23)17(2,27-15(16)24)11-5-9(3-4-12(11)20)25-13(28)14-26-10(6-19)7-29-14/h3-5,7H,6,8H2,1-2H3,(H2,24,27)(H,25,28)/t16-,17-/m1/s1
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92n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

US Patent


Assay Description
The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM234456
PNG
(US9353084, 9)
Show SMILES Cn1cc(Br)nc1C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@@](C)(F)CC1(F)F
Show InChI InChI=1S/C18H18BrF4N5O/c1-16(21)8-18(22,23)17(2,27-15(16)24)10-6-9(4-5-11(10)20)25-14(29)13-26-12(19)7-28(13)3/h4-7H,8H2,1-3H3,(H2,24,27)(H,25,29)/t16-,17+/m0/s1
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100n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

US Patent


Assay Description
The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM234469
PNG
(US9353084, 22)
Show SMILES Cn1cnc(n1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@@](C)(F)CC1(F)F
Show InChI InChI=1S/C17H18F4N6O/c1-15(19)7-17(20,21)16(2,25-14(15)22)10-6-9(4-5-11(10)18)24-13(28)12-23-8-27(3)26-12/h4-6,8H,7H2,1-3H3,(H2,22,25)(H,24,28)/t15-,16+/m0/s1
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110n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

US Patent


Assay Description
The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM234472
PNG
(US9353084, 25)
Show SMILES COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@](C)(F)CC1(F)F
Show InChI InChI=1S/C19H19F4N5O2/c1-17(21)9-19(22,23)18(2,28-16(17)24)11-6-10(4-5-12(11)20)27-15(29)13-7-26-14(30-3)8-25-13/h4-8H,9H2,1-3H3,(H2,24,28)(H,27,29)/t17-,18-/m1/s1
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130n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

US Patent


Assay Description
The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM234473
PNG
(US9353084, 26)
Show SMILES COc1cnc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@](C)(F)CC1(F)F
Show InChI InChI=1S/C19H19F4N5O2/c1-17(21)9-19(22,23)18(2,28-16(17)24)12-6-10(4-5-13(12)20)27-15(29)14-25-7-11(30-3)8-26-14/h4-8H,9H2,1-3H3,(H2,24,28)(H,27,29)/t17-,18-/m1/s1
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130n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

US Patent


Assay Description
The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM234474
PNG
(US9353084, 27)
Show SMILES Cc1csc(n1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@](C)(F)CC1(F)F
Show InChI InChI=1S/C18H18F4N4OS/c1-9-7-28-14(24-9)13(27)25-10-4-5-12(19)11(6-10)17(3)18(21,22)8-16(2,20)15(23)26-17/h4-7H,8H2,1-3H3,(H2,23,26)(H,25,27)/t16-,17-/m1/s1
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140n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

US Patent


Assay Description
The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM234475
PNG
(US9353084, 28)
Show SMILES C[C@@]1(F)CC(F)(F)[C@](C)(N=C1N)c1cc(NC(=O)c2ccc(cn2)C(F)(F)F)ccc1F
Show InChI InChI=1S/C20H17F7N4O/c1-17(22)9-19(23,24)18(2,31-16(17)28)12-7-11(4-5-13(12)21)30-15(32)14-6-3-10(8-29-14)20(25,26)27/h3-8H,9H2,1-2H3,(H2,28,31)(H,30,32)/t17-,18-/m1/s1
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170n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

US Patent


Assay Description
The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM234449
PNG
(US9353084, 2)
Show SMILES C[C@@]1(F)CC(F)(F)[C@](C)(N=C1N)c1cc(NC(=O)c2ccc(F)cn2)ccc1F
Show InChI InChI=1S/C19H17F5N4O/c1-17(22)9-19(23,24)18(2,28-16(17)25)12-7-11(4-5-13(12)21)27-15(29)14-6-3-10(20)8-26-14/h3-8H,9H2,1-2H3,(H2,25,28)(H,27,29)/t17-,18-/m1/s1
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210n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

US Patent


Assay Description
The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM234481
PNG
(US9353084, 34)
Show SMILES Cc1nc(co1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@](C)(F)CC1(F)F
Show InChI InChI=1S/C18H18F4N4O2/c1-9-24-13(7-28-9)14(27)25-10-4-5-12(19)11(6-10)17(3)18(21,22)8-16(2,20)15(23)26-17/h4-7H,8H2,1-3H3,(H2,23,26)(H,25,27)/t16-,17-/m1/s1
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210n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

US Patent


Assay Description
The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM234477
PNG
(US9353084, 30)
Show SMILES C[C@@]1(F)CC(F)(F)[C@](C)(N=C1N)c1cc(NC(=O)c2nc(CF)co2)ccc1F
Show InChI InChI=1S/C18H17F5N4O2/c1-16(21)8-18(22,23)17(2,27-15(16)24)11-5-9(3-4-12(11)20)25-13(28)14-26-10(6-19)7-29-14/h3-5,7H,6,8H2,1-2H3,(H2,24,27)(H,25,28)/t16-,17-/m1/s1
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260n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

US Patent


Assay Description
The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM234483
PNG
(US9353084, 36)
Show SMILES C[C@@]1(F)CC(F)(F)[C@](C)(N=C1N)c1cc(NC(=O)c2nccs2)ccc1F
Show InChI InChI=1S/C17H16F4N4OS/c1-15(19)8-17(20,21)16(2,25-14(15)22)10-7-9(3-4-11(10)18)24-12(26)13-23-5-6-27-13/h3-7H,8H2,1-2H3,(H2,22,25)(H,24,26)/t15-,16-/m1/s1
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390n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

US Patent


Assay Description
The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM234484
PNG
(US9353084, 37)
Show SMILES Cn1cc(Br)nc1C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@](C)(F)CC1(F)F
Show InChI InChI=1S/C18H18BrF4N5O/c1-16(21)8-18(22,23)17(2,27-15(16)24)10-6-9(4-5-11(10)20)25-14(29)13-26-12(19)7-28(13)3/h4-7H,8H2,1-3H3,(H2,24,27)(H,25,29)/t16-,17-/m1/s1
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420n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

US Patent


Assay Description
The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM234471
PNG
(US9353084, 24)
Show SMILES C[C@@]1(F)CC(F)(F)[C@](C)(N=C1N)c1cc(NC(=O)c2cnc(cn2)C(F)F)ccc1F
Show InChI InChI=1S/C19H17F6N5O/c1-17(23)8-19(24,25)18(2,30-16(17)26)10-5-9(3-4-11(10)20)29-15(31)13-7-27-12(6-28-13)14(21)22/h3-7,14H,8H2,1-2H3,(H2,26,30)(H,29,31)/t17-,18-/m1/s1
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420n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

US Patent


Assay Description
The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM234488
PNG
(US9353084, 41)
Show SMILES Cc1ccc(o1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@](C)(F)CC1(F)F
Show InChI InChI=1S/C19H19F4N3O2/c1-10-4-7-14(28-10)15(27)25-11-5-6-13(20)12(8-11)18(3)19(22,23)9-17(2,21)16(24)26-18/h4-8H,9H2,1-3H3,(H2,24,26)(H,25,27)/t17-,18-/m1/s1
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520n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

US Patent


Assay Description
The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM234482
PNG
(US9353084, 35)
Show SMILES Cc1nc(no1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@](C)(F)CC1(F)F
Show InChI InChI=1S/C17H17F4N5O2/c1-8-23-12(26-28-8)13(27)24-9-4-5-11(18)10(6-9)16(3)17(20,21)7-15(2,19)14(22)25-16/h4-6H,7H2,1-3H3,(H2,22,25)(H,24,27)/t15-,16-/m1/s1
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680n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

US Patent


Assay Description
The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...


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


(Homo sapiens (Human))
BDBM234490
PNG
(US9353084, 44)
Show SMILES C[C@@]1(F)CC(F)(F)[C@](C)(N=C1N)c1cc(NC(=O)c2ccc(Cl)cc2)ccc1F
Show InChI InChI=1S/C20H18ClF4N3O/c1-18(23)10-20(24,25)19(2,28-17(18)26)14-9-13(7-8-15(14)22)27-16(29)11-3-5-12(21)6-4-11/h3-9H,10H2,1-2H3,(H2,26,28)(H,27,29)/t18-,19-/m1/s1
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740n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

US Patent


Assay Description
The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM234485
PNG
(US9353084, 38)
Show SMILES Cc1cn(C)c(n1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@](C)(F)CC1(F)F
Show InChI InChI=1S/C19H21F4N5O/c1-10-8-28(4)14(25-10)15(29)26-11-5-6-13(20)12(7-11)18(3)19(22,23)9-17(2,21)16(24)27-18/h5-8H,9H2,1-4H3,(H2,24,27)(H,26,29)/t17-,18-/m1/s1
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US Patent
1.00E+3n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

US Patent


Assay Description
The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM234489
PNG
(US9353084, 42)
Show SMILES Cc1ncc(o1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@](C)(F)CC1(F)F
Show InChI InChI=1S/C18H18F4N4O2/c1-9-24-7-13(28-9)14(27)25-10-4-5-12(19)11(6-10)17(3)18(21,22)8-16(2,20)15(23)26-17/h4-7H,8H2,1-3H3,(H2,23,26)(H,25,27)/t16-,17-/m1/s1
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US Patent
1.50E+3n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

US Patent


Assay Description
The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM234467
PNG
(US9353084, 20)
Show SMILES Cc1nnc(o1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@@](C)(F)CC1(F)F
Show InChI InChI=1S/C17H17F4N5O2/c1-8-25-26-13(28-8)12(27)23-9-4-5-11(18)10(6-9)16(3)17(20,21)7-15(2,19)14(22)24-16/h4-6H,7H2,1-3H3,(H2,22,24)(H,23,27)/t15-,16+/m0/s1
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1.60E+3n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

US Patent


Assay Description
The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM234486
PNG
(US9353084, 39)
Show SMILES Cn1ccc(n1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@](C)(F)CC1(F)F
Show InChI InChI=1S/C18H19F4N5O/c1-16(20)9-18(21,22)17(2,25-15(16)23)11-8-10(4-5-12(11)19)24-14(28)13-6-7-27(3)26-13/h4-8H,9H2,1-3H3,(H2,23,25)(H,24,28)/t16-,17-/m1/s1
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US Patent
4.80E+3n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

US Patent


Assay Description
The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM234487
PNG
(US9353084, 40)
Show SMILES Cc1cc(on1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@](C)(F)CC1(F)F
Show InChI InChI=1S/C18H18F4N4O2/c1-9-6-13(28-26-9)14(27)24-10-4-5-12(19)11(7-10)17(3)18(21,22)8-16(2,20)15(23)25-17/h4-7H,8H2,1-3H3,(H2,23,25)(H,24,27)/t16-,17-/m1/s1
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US Patent
8.20E+3n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

US Patent


Assay Description
The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...


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