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Patent code US9284284

Compile Data Set for Download or QSAR
Found 64 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 2


(Homo sapiens (Human))
BDBM213732
PNG
(US9284284, 23)
Show SMILES C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cc(Nc2ncnc3cc(Cl)cnc23)ccc1F |r,c:7|
Show InChI InChI=1S/C20H17ClF4N6O/c1-18(8-32-19(2,17(26)31-18)20(23,24)25)12-6-11(3-4-13(12)22)30-16-15-14(28-9-29-16)5-10(21)7-27-15/h3-7,9H,8H2,1-2H3,(H2,26,31)(H,28,29,30)/t18-,19+/m0/s1
PDB

UniProtKB/SwissProt

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US Patent
n/an/a 11n/an/an/an/a4.525



NOVARTIS AG

US Patent


Assay Description
Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 1 nM concentrations is incubated wi...


US Patent US9284284 (2016)


BindingDB Entry DOI: 10.7270/Q25D8QP0
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM213717
PNG
(US9284284, 8)
Show SMILES NC1=N[C@](COC1)(C(F)F)c1cc(Nc2nccc3cc(Br)cnc23)ccc1F |r,t:1|
Show InChI InChI=1S/C19H15BrF3N5O/c20-11-5-10-3-4-25-17(16(10)26-7-11)27-12-1-2-14(21)13(6-12)19(18(22)23)9-29-8-15(24)28-19/h1-7,18H,8-9H2,(H2,24,28)(H,25,27)/t19-/m0/s1
PDB

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UniChem
US Patent
n/an/a 11n/an/an/an/a4.525



NOVARTIS AG

US Patent


Assay Description
Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 1 nM concentrations is incubated wi...


US Patent US9284284 (2016)


BindingDB Entry DOI: 10.7270/Q25D8QP0
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM213718
PNG
(US9284284, 9)
Show SMILES NC1=N[C@](COC1)(C(F)F)c1cc(Nc2nccc3cc(cnc23)C#N)ccc1F |r,t:1|
Show InChI InChI=1S/C20H15F3N6O/c21-15-2-1-13(6-14(15)20(19(22)23)10-30-9-16(25)29-20)28-18-17-12(3-4-26-18)5-11(7-24)8-27-17/h1-6,8,19H,9-10H2,(H2,25,29)(H,26,28)/t20-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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UniChem
US Patent
n/an/a 18n/an/an/an/a4.525



NOVARTIS AG

US Patent


Assay Description
Recombinant BACE-1 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 1 nM concentrations is incubated wi...


US Patent US9284284 (2016)


BindingDB Entry DOI: 10.7270/Q25D8QP0
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM213717
PNG
(US9284284, 8)
Show SMILES NC1=N[C@](COC1)(C(F)F)c1cc(Nc2nccc3cc(Br)cnc23)ccc1F |r,t:1|
Show InChI InChI=1S/C19H15BrF3N5O/c20-11-5-10-3-4-25-17(16(10)26-7-11)27-12-1-2-14(21)13(6-12)19(18(22)23)9-29-8-15(24)28-19/h1-7,18H,8-9H2,(H2,24,28)(H,25,27)/t19-/m0/s1
PDB
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US Patent
n/an/a 21n/an/an/an/a4.525



NOVARTIS AG

US Patent


Assay Description
Recombinant BACE-1 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 1 nM concentrations is incubated wi...


US Patent US9284284 (2016)


BindingDB Entry DOI: 10.7270/Q25D8QP0
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM213734
PNG
(US9284284, 25)
Show SMILES COc1cccnc1Nc1ccc(F)c(c1)[C@]1(C)CO[C@](C)(C(N)=N1)C(F)(F)F |r,c:25|
Show InChI InChI=1S/C19H20F4N4O2/c1-17(10-29-18(2,16(24)27-17)19(21,22)23)12-9-11(6-7-13(12)20)26-15-14(28-3)5-4-8-25-15/h4-9H,10H2,1-3H3,(H2,24,27)(H,25,26)/t17-,18+/m0/s1
PDB

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US Patent
n/an/a 27n/an/an/an/a4.525



NOVARTIS AG

US Patent


Assay Description
Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 1 nM concentrations is incubated wi...


US Patent US9284284 (2016)


BindingDB Entry DOI: 10.7270/Q25D8QP0
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM213718
PNG
(US9284284, 9)
Show SMILES NC1=N[C@](COC1)(C(F)F)c1cc(Nc2nccc3cc(cnc23)C#N)ccc1F |r,t:1|
Show InChI InChI=1S/C20H15F3N6O/c21-15-2-1-13(6-14(15)20(19(22)23)10-30-9-16(25)29-20)28-18-17-12(3-4-26-18)5-11(7-24)8-27-17/h1-6,8,19H,9-10H2,(H2,25,29)(H,26,28)/t20-/m0/s1
PDB

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US Patent
n/an/a 30n/an/an/an/a4.525



NOVARTIS AG

US Patent


Assay Description
Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 1 nM concentrations is incubated wi...


US Patent US9284284 (2016)


BindingDB Entry DOI: 10.7270/Q25D8QP0
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM213716
PNG
(US9284284, 7)
Show SMILES NC1=N[C@](COC1)(C(F)F)c1cc(Nc2ncnc3cc(Cl)cnc23)ccc1F |r,t:1|
Show InChI InChI=1S/C18H14ClF3N6O/c19-9-3-13-15(24-5-9)16(26-8-25-13)27-10-1-2-12(20)11(4-10)18(17(21)22)7-29-6-14(23)28-18/h1-5,8,17H,6-7H2,(H2,23,28)(H,25,26,27)/t18-/m0/s1
PDB

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n/an/a 32n/an/an/an/a4.525



NOVARTIS AG

US Patent


Assay Description
Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 1 nM concentrations is incubated wi...


US Patent US9284284 (2016)


BindingDB Entry DOI: 10.7270/Q25D8QP0
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM213716
PNG
(US9284284, 7)
Show SMILES NC1=N[C@](COC1)(C(F)F)c1cc(Nc2ncnc3cc(Cl)cnc23)ccc1F |r,t:1|
Show InChI InChI=1S/C18H14ClF3N6O/c19-9-3-13-15(24-5-9)16(26-8-25-13)27-10-1-2-12(20)11(4-10)18(17(21)22)7-29-6-14(23)28-18/h1-5,8,17H,6-7H2,(H2,23,28)(H,25,26,27)/t18-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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US Patent
n/an/a 36n/an/an/an/a4.525



NOVARTIS AG

US Patent


Assay Description
Recombinant BACE-1 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 1 nM concentrations is incubated wi...


US Patent US9284284 (2016)


BindingDB Entry DOI: 10.7270/Q25D8QP0
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM213732
PNG
(US9284284, 23)
Show SMILES C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cc(Nc2ncnc3cc(Cl)cnc23)ccc1F |r,c:7|
Show InChI InChI=1S/C20H17ClF4N6O/c1-18(8-32-19(2,17(26)31-18)20(23,24)25)12-6-11(3-4-13(12)22)30-16-15-14(28-9-29-16)5-10(21)7-27-15/h3-7,9H,8H2,1-2H3,(H2,26,31)(H,28,29,30)/t18-,19+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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antibodypedia
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UniChem
US Patent
n/an/a 40n/an/an/an/a4.525



NOVARTIS AG

US Patent


Assay Description
Recombinant BACE-1 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 1 nM concentrations is incubated wi...


US Patent US9284284 (2016)


BindingDB Entry DOI: 10.7270/Q25D8QP0
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM213737
PNG
(US9284284, 28)
Show SMILES C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1nc(Nc2ncnc3cc(cnc23)C(F)(F)F)ccc1F |r,c:7|
Show InChI InChI=1S/C20H16F7N7O/c1-17(7-35-18(2,16(28)34-17)20(25,26)27)14-10(21)3-4-12(32-14)33-15-13-11(30-8-31-15)5-9(6-29-13)19(22,23)24/h3-6,8H,7H2,1-2H3,(H2,28,34)(H,30,31,32,33)/t17-,18+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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antibodypedia
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PC sid
UniChem
US Patent
n/an/a 68n/an/an/an/a4.525



NOVARTIS AG

US Patent


Assay Description
Recombinant BACE-1 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 1 nM concentrations is incubated wi...


US Patent US9284284 (2016)


BindingDB Entry DOI: 10.7270/Q25D8QP0
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM213721
PNG
(US9284284, 12)
Show SMILES Cc1cn2ccnc(Nc3ccc(F)c(c3)[C@@]3(COCC(N)=N3)C(F)F)c2n1 |r,c:22|
Show InChI InChI=1S/C18H17F3N6O/c1-10-7-27-5-4-23-15(16(27)24-10)25-11-2-3-13(19)12(6-11)18(17(20)21)9-28-8-14(22)26-18/h2-7,17H,8-9H2,1H3,(H2,22,26)(H,23,25)/t18-/m0/s1
PDB

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n/an/a 72n/an/an/an/a4.525



NOVARTIS AG

US Patent


Assay Description
Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 1 nM concentrations is incubated wi...


US Patent US9284284 (2016)


BindingDB Entry DOI: 10.7270/Q25D8QP0
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM213733
PNG
(US9284284, 24)
Show SMILES C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cc(Nc2ncnc3cc(cnc23)C(F)(F)F)ccc1F |r,c:7|
Show InChI InChI=1S/C21H17F7N6O/c1-18(8-35-19(2,17(29)34-18)21(26,27)28)12-6-11(3-4-13(12)22)33-16-15-14(31-9-32-16)5-10(7-30-15)20(23,24)25/h3-7,9H,8H2,1-2H3,(H2,29,34)(H,31,32,33)/t18-,19+/m0/s1
PDB
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n/an/a 83n/an/an/an/a4.525



NOVARTIS AG

US Patent


Assay Description
Recombinant BACE-1 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 1 nM concentrations is incubated wi...


US Patent US9284284 (2016)


BindingDB Entry DOI: 10.7270/Q25D8QP0
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM213724
PNG
(US9284284, 15)
Show SMILES COc1cccnc1Nc1ccc(F)c(c1)[C@@]1(COCC(N)=N1)C(F)F |r,c:23|
Show InChI InChI=1S/C17H17F3N4O2/c1-25-13-3-2-6-22-15(13)23-10-4-5-12(18)11(7-10)17(16(19)20)9-26-8-14(21)24-17/h2-7,16H,8-9H2,1H3,(H2,21,24)(H,22,23)/t17-/m0/s1
PDB

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US Patent
n/an/a 89n/an/an/an/a4.525



NOVARTIS AG

US Patent


Assay Description
Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 1 nM concentrations is incubated wi...


US Patent US9284284 (2016)


BindingDB Entry DOI: 10.7270/Q25D8QP0
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM213728
PNG
(US9284284, 19)
Show SMILES CCOc1cccnc1Nc1ccc(F)c(c1)[C@@]1(COCC(N)=N1)C(F)F |r,c:24|
Show InChI InChI=1S/C18H19F3N4O2/c1-2-27-14-4-3-7-23-16(14)24-11-5-6-13(19)12(8-11)18(17(20)21)10-26-9-15(22)25-18/h3-8,17H,2,9-10H2,1H3,(H2,22,25)(H,23,24)/t18-/m0/s1
PDB

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n/an/a 160n/an/an/an/a4.525



NOVARTIS AG

US Patent


Assay Description
Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 1 nM concentrations is incubated wi...


US Patent US9284284 (2016)


BindingDB Entry DOI: 10.7270/Q25D8QP0
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM213737
PNG
(US9284284, 28)
Show SMILES C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1nc(Nc2ncnc3cc(cnc23)C(F)(F)F)ccc1F |r,c:7|
Show InChI InChI=1S/C20H16F7N7O/c1-17(7-35-18(2,16(28)34-17)20(25,26)27)14-10(21)3-4-12(32-14)33-15-13-11(30-8-31-15)5-9(6-29-13)19(22,23)24/h3-6,8H,7H2,1-2H3,(H2,28,34)(H,30,31,32,33)/t17-,18+/m0/s1
PDB

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n/an/a 200n/an/an/an/a4.525



NOVARTIS AG

US Patent


Assay Description
Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 1 nM concentrations is incubated wi...


US Patent US9284284 (2016)


BindingDB Entry DOI: 10.7270/Q25D8QP0
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM213734
PNG
(US9284284, 25)
Show SMILES COc1cccnc1Nc1ccc(F)c(c1)[C@]1(C)CO[C@](C)(C(N)=N1)C(F)(F)F |r,c:25|
Show InChI InChI=1S/C19H20F4N4O2/c1-17(10-29-18(2,16(24)27-17)19(21,22)23)12-9-11(6-7-13(12)20)26-15-14(28-3)5-4-8-25-15/h4-9H,10H2,1-3H3,(H2,24,27)(H,25,26)/t17-,18+/m0/s1
PDB
MMDB

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n/an/a 210n/an/an/an/a4.525



NOVARTIS AG

US Patent


Assay Description
Recombinant BACE-1 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 1 nM concentrations is incubated wi...


US Patent US9284284 (2016)


BindingDB Entry DOI: 10.7270/Q25D8QP0
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM213729
PNG
(US9284284, 20)
Show SMILES NC1=N[C@](COC1)(C(F)F)c1cc(Nc2ncccc2OCC(F)F)ccc1F |r,t:1|
Show InChI InChI=1S/C18H17F5N4O2/c19-12-4-3-10(26-16-13(2-1-5-25-16)29-7-14(20)21)6-11(12)18(17(22)23)9-28-8-15(24)27-18/h1-6,14,17H,7-9H2,(H2,24,27)(H,25,26)/t18-/m0/s1
PDB

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n/an/a 220n/an/an/an/a4.525



NOVARTIS AG

US Patent


Assay Description
Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 1 nM concentrations is incubated wi...


US Patent US9284284 (2016)


BindingDB Entry DOI: 10.7270/Q25D8QP0
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM213733
PNG
(US9284284, 24)
Show SMILES C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cc(Nc2ncnc3cc(cnc23)C(F)(F)F)ccc1F |r,c:7|
Show InChI InChI=1S/C21H17F7N6O/c1-18(8-35-19(2,17(29)34-18)21(26,27)28)12-6-11(3-4-13(12)22)33-16-15-14(31-9-32-16)5-10(7-30-15)20(23,24)25/h3-7,9H,8H2,1-2H3,(H2,29,34)(H,31,32,33)/t18-,19+/m0/s1
PDB

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antibodypedia
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US Patent
n/an/a 280n/an/an/an/a4.525



NOVARTIS AG

US Patent


Assay Description
Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 1 nM concentrations is incubated wi...


US Patent US9284284 (2016)


BindingDB Entry DOI: 10.7270/Q25D8QP0
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM213724
PNG
(US9284284, 15)
Show SMILES COc1cccnc1Nc1ccc(F)c(c1)[C@@]1(COCC(N)=N1)C(F)F |r,c:23|
Show InChI InChI=1S/C17H17F3N4O2/c1-25-13-3-2-6-22-15(13)23-10-4-5-12(18)11(7-10)17(16(19)20)9-26-8-14(21)24-17/h2-7,16H,8-9H2,1H3,(H2,21,24)(H,22,23)/t17-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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antibodypedia
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PC sid
UniChem
US Patent
n/an/a 300n/an/an/an/a4.525



NOVARTIS AG

US Patent


Assay Description
Recombinant BACE-1 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 1 nM concentrations is incubated wi...


US Patent US9284284 (2016)


BindingDB Entry DOI: 10.7270/Q25D8QP0
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM213731
PNG
(US9284284, 22)
Show SMILES NC1=N[C@](COC1)(C(F)F)c1cc(Nc2ncccc2OC(F)F)ccc1F |r,t:1|
Show InChI InChI=1S/C17H15F5N4O2/c18-11-4-3-9(25-14-12(28-16(21)22)2-1-5-24-14)6-10(11)17(15(19)20)8-27-7-13(23)26-17/h1-6,15-16H,7-8H2,(H2,23,26)(H,24,25)/t17-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
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PC sid
UniChem
US Patent
n/an/a 340n/an/an/an/a4.525



NOVARTIS AG

US Patent


Assay Description
Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 1 nM concentrations is incubated wi...


US Patent US9284284 (2016)


BindingDB Entry DOI: 10.7270/Q25D8QP0
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM213721
PNG
(US9284284, 12)
Show SMILES Cc1cn2ccnc(Nc3ccc(F)c(c3)[C@@]3(COCC(N)=N3)C(F)F)c2n1 |r,c:22|
Show InChI InChI=1S/C18H17F3N6O/c1-10-7-27-5-4-23-15(16(27)24-10)25-11-2-3-13(19)12(6-11)18(17(20)21)9-28-8-14(22)26-18/h2-7,17H,8-9H2,1H3,(H2,22,26)(H,23,25)/t18-/m0/s1
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n/an/a 350n/an/an/an/a4.525



NOVARTIS AG

US Patent


Assay Description
Recombinant BACE-1 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 1 nM concentrations is incubated wi...


US Patent US9284284 (2016)


BindingDB Entry DOI: 10.7270/Q25D8QP0
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM213722
PNG
(US9284284, 13)
Show SMILES CC1=N[C@](COC1)(C(F)F)c1cc(Nc2nccn3ccnc23)ccc1F |r,t:1|
Show InChI InChI=1S/C18H16F3N5O/c1-11-9-27-10-18(25-11,17(20)21)13-8-12(2-3-14(13)19)24-15-16-23-5-7-26(16)6-4-22-15/h2-8,17H,9-10H2,1H3,(H,22,24)/t18-/m0/s1
PDB

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n/an/a 410n/an/an/an/a4.525



NOVARTIS AG

US Patent


Assay Description
Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 1 nM concentrations is incubated wi...


US Patent US9284284 (2016)


BindingDB Entry DOI: 10.7270/Q25D8QP0
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM213730
PNG
(US9284284, 21)
Show SMILES COc1cncnc1Nc1ccc(F)c(c1)[C@@]1(COCC(N)=N1)C(F)F |r,c:23|
Show InChI InChI=1S/C16H16F3N5O2/c1-25-12-5-21-8-22-14(12)23-9-2-3-11(17)10(4-9)16(15(18)19)7-26-6-13(20)24-16/h2-5,8,15H,6-7H2,1H3,(H2,20,24)(H,21,22,23)/t16-/m0/s1
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n/an/a 560n/an/an/an/a4.525



NOVARTIS AG

US Patent


Assay Description
Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 1 nM concentrations is incubated wi...


US Patent US9284284 (2016)


BindingDB Entry DOI: 10.7270/Q25D8QP0
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM213723
PNG
(US9284284, 14)
Show SMILES NC1=N[C@](COC1)(C(F)F)c1cc(Nc2nccn3c(Br)cnc23)ccc1F |r,t:1|
Show InChI InChI=1S/C17H14BrF3N6O/c18-12-6-24-15-14(23-3-4-27(12)15)25-9-1-2-11(19)10(5-9)17(16(20)21)8-28-7-13(22)26-17/h1-6,16H,7-8H2,(H2,22,26)(H,23,25)/t17-/m0/s1
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n/an/a 570n/an/an/an/a4.525



NOVARTIS AG

US Patent


Assay Description
Recombinant BACE-1 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 1 nM concentrations is incubated wi...


US Patent US9284284 (2016)


BindingDB Entry DOI: 10.7270/Q25D8QP0
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM213719
PNG
(US9284284, 10)
Show SMILES COCCOc1cnc2c(Nc3ccc(F)c(c3)[C@@]3(COCC(N)=N3)C(F)F)nccc2c1 |r,c:24|
Show InChI InChI=1S/C22H22F3N5O3/c1-31-6-7-33-15-8-13-4-5-27-20(19(13)28-10-15)29-14-2-3-17(23)16(9-14)22(21(24)25)12-32-11-18(26)30-22/h2-5,8-10,21H,6-7,11-12H2,1H3,(H2,26,30)(H,27,29)/t22-/m0/s1
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n/an/a 600n/an/an/an/a4.525



NOVARTIS AG

US Patent


Assay Description
Recombinant BACE-1 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 1 nM concentrations is incubated wi...


US Patent US9284284 (2016)


BindingDB Entry DOI: 10.7270/Q25D8QP0
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM213736
PNG
(US9284284, 27)
Show SMILES COc1cc(N)cnc1Nc1ccc(F)c(c1)[C@@]1(COCC(N)=N1)C(F)F |r,c:24|
Show InChI InChI=1S/C17H18F3N5O2/c1-26-13-4-9(21)6-23-15(13)24-10-2-3-12(18)11(5-10)17(16(19)20)8-27-7-14(22)25-17/h2-6,16H,7-8,21H2,1H3,(H2,22,25)(H,23,24)/t17-/m0/s1
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NOVARTIS AG

US Patent


Assay Description
Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 1 nM concentrations is incubated wi...


US Patent US9284284 (2016)


BindingDB Entry DOI: 10.7270/Q25D8QP0
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM213726
PNG
(US9284284, 17)
Show SMILES COc1ccnc(Nc2ccc(F)c(c2)[C@@]2(COCC(N)=N2)C(F)F)n1 |r,c:21|
Show InChI InChI=1S/C16H16F3N5O2/c1-25-13-4-5-21-15(23-13)22-9-2-3-11(17)10(6-9)16(14(18)19)8-26-7-12(20)24-16/h2-6,14H,7-8H2,1H3,(H2,20,24)(H,21,22,23)/t16-/m0/s1
PDB

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n/an/a 670n/an/an/an/a4.525



NOVARTIS AG

US Patent


Assay Description
Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 1 nM concentrations is incubated wi...


US Patent US9284284 (2016)


BindingDB Entry DOI: 10.7270/Q25D8QP0
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM213731
PNG
(US9284284, 22)
Show SMILES NC1=N[C@](COC1)(C(F)F)c1cc(Nc2ncccc2OC(F)F)ccc1F |r,t:1|
Show InChI InChI=1S/C17H15F5N4O2/c18-11-4-3-9(25-14-12(28-16(21)22)2-1-5-24-14)6-10(11)17(15(19)20)8-27-7-13(23)26-17/h1-6,15-16H,7-8H2,(H2,23,26)(H,24,25)/t17-/m0/s1
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NOVARTIS AG

US Patent


Assay Description
Recombinant BACE-1 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 1 nM concentrations is incubated wi...


US Patent US9284284 (2016)


BindingDB Entry DOI: 10.7270/Q25D8QP0
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM213728
PNG
(US9284284, 19)
Show SMILES CCOc1cccnc1Nc1ccc(F)c(c1)[C@@]1(COCC(N)=N1)C(F)F |r,c:24|
Show InChI InChI=1S/C18H19F3N4O2/c1-2-27-14-4-3-7-23-16(14)24-11-5-6-13(19)12(8-11)18(17(20)21)10-26-9-15(22)25-18/h3-8,17H,2,9-10H2,1H3,(H2,22,25)(H,23,24)/t18-/m0/s1
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NOVARTIS AG

US Patent


Assay Description
Recombinant BACE-1 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 1 nM concentrations is incubated wi...


US Patent US9284284 (2016)


BindingDB Entry DOI: 10.7270/Q25D8QP0
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM213729
PNG
(US9284284, 20)
Show SMILES NC1=N[C@](COC1)(C(F)F)c1cc(Nc2ncccc2OCC(F)F)ccc1F |r,t:1|
Show InChI InChI=1S/C18H17F5N4O2/c19-12-4-3-10(26-16-13(2-1-5-25-16)29-7-14(20)21)6-11(12)18(17(22)23)9-28-8-15(24)27-18/h1-6,14,17H,7-9H2,(H2,24,27)(H,25,26)/t18-/m0/s1
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NOVARTIS AG

US Patent


Assay Description
Recombinant BACE-1 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 1 nM concentrations is incubated wi...


US Patent US9284284 (2016)


BindingDB Entry DOI: 10.7270/Q25D8QP0
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM213727
PNG
(US9284284, 18)
Show SMILES COc1nccnc1Nc1ccc(F)c(c1)[C@@]1(COCC(N)=N1)C(F)F |r,c:23|
Show InChI InChI=1S/C16H16F3N5O2/c1-25-14-13(21-4-5-22-14)23-9-2-3-11(17)10(6-9)16(15(18)19)8-26-7-12(20)24-16/h2-6,15H,7-8H2,1H3,(H2,20,24)(H,21,23)/t16-/m0/s1
PDB

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NOVARTIS AG

US Patent


Assay Description
Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 1 nM concentrations is incubated wi...


US Patent US9284284 (2016)


BindingDB Entry DOI: 10.7270/Q25D8QP0
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM213723
PNG
(US9284284, 14)
Show SMILES NC1=N[C@](COC1)(C(F)F)c1cc(Nc2nccn3c(Br)cnc23)ccc1F |r,t:1|
Show InChI InChI=1S/C17H14BrF3N6O/c18-12-6-24-15-14(23-3-4-27(12)15)25-9-1-2-11(19)10(5-9)17(16(20)21)8-28-7-13(22)26-17/h1-6,16H,7-8H2,(H2,22,26)(H,23,25)/t17-/m0/s1
PDB

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n/an/a 1.40E+3n/an/an/an/a4.525



NOVARTIS AG

US Patent


Assay Description
Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 1 nM concentrations is incubated wi...


US Patent US9284284 (2016)


BindingDB Entry DOI: 10.7270/Q25D8QP0
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM213722
PNG
(US9284284, 13)
Show SMILES CC1=N[C@](COC1)(C(F)F)c1cc(Nc2nccn3ccnc23)ccc1F |r,t:1|
Show InChI InChI=1S/C18H16F3N5O/c1-11-9-27-10-18(25-11,17(20)21)13-8-12(2-3-14(13)19)24-15-16-23-5-7-26(16)6-4-22-15/h2-8,17H,9-10H2,1H3,(H,22,24)/t18-/m0/s1
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NOVARTIS AG

US Patent


Assay Description
Recombinant BACE-1 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 1 nM concentrations is incubated wi...


US Patent US9284284 (2016)


BindingDB Entry DOI: 10.7270/Q25D8QP0
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM213735
PNG
(US9284284, 26)
Show SMILES COc1cc(cnc1Nc1ccc(F)c(c1)[C@@]1(COCC(N)=N1)C(F)F)[N+]([O-])=O |r,c:23|
Show InChI InChI=1S/C17H16F3N5O4/c1-28-13-5-10(25(26)27)6-22-15(13)23-9-2-3-12(18)11(4-9)17(16(19)20)8-29-7-14(21)24-17/h2-6,16H,7-8H2,1H3,(H2,21,24)(H,22,23)/t17-/m0/s1
PDB

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NOVARTIS AG

US Patent


Assay Description
Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 1 nM concentrations is incubated wi...


US Patent US9284284 (2016)


BindingDB Entry DOI: 10.7270/Q25D8QP0
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM213710
PNG
(US9284284, 1)
Show SMILES CC1(COCC(N)=N1)c1cccc(Nc2nsc3cc(Br)ccc23)c1 |c:6|
Show InChI InChI=1S/C18H17BrN4OS/c1-18(10-24-9-16(20)22-18)11-3-2-4-13(7-11)21-17-14-6-5-12(19)8-15(14)25-23-17/h2-8H,9-10H2,1H3,(H2,20,22)(H,21,23)
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NOVARTIS AG

US Patent


Assay Description
Recombinant BACE-1 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 1 nM concentrations is incubated wi...


US Patent US9284284 (2016)


BindingDB Entry DOI: 10.7270/Q25D8QP0
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM213739
PNG
(US9284284, 30)
Show SMILES C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1nc(Nc2ncccc2C#N)ccc1F |r,c:7|
Show InChI InChI=1S/C18H16F4N6O/c1-16(9-29-17(2,15(24)28-16)18(20,21)22)13-11(19)5-6-12(26-13)27-14-10(8-23)4-3-7-25-14/h3-7H,9H2,1-2H3,(H2,24,28)(H,25,26,27)/t16-,17+/m0/s1
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NOVARTIS AG

US Patent


Assay Description
Recombinant BACE-1 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 1 nM concentrations is incubated wi...


US Patent US9284284 (2016)


BindingDB Entry DOI: 10.7270/Q25D8QP0
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM213730
PNG
(US9284284, 21)
Show SMILES COc1cncnc1Nc1ccc(F)c(c1)[C@@]1(COCC(N)=N1)C(F)F |r,c:23|
Show InChI InChI=1S/C16H16F3N5O2/c1-25-12-5-21-8-22-14(12)23-9-2-3-11(17)10(4-9)16(15(18)19)7-26-6-13(20)24-16/h2-5,8,15H,6-7H2,1H3,(H2,20,24)(H,21,22,23)/t16-/m0/s1
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NOVARTIS AG

US Patent


Assay Description
Recombinant BACE-1 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 1 nM concentrations is incubated wi...


US Patent US9284284 (2016)


BindingDB Entry DOI: 10.7270/Q25D8QP0
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM213739
PNG
(US9284284, 30)
Show SMILES C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1nc(Nc2ncccc2C#N)ccc1F |r,c:7|
Show InChI InChI=1S/C18H16F4N6O/c1-16(9-29-17(2,15(24)28-16)18(20,21)22)13-11(19)5-6-12(26-13)27-14-10(8-23)4-3-7-25-14/h3-7H,9H2,1-2H3,(H2,24,28)(H,25,26,27)/t16-,17+/m0/s1
PDB

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n/an/a 1.60E+3n/an/an/an/a4.525



NOVARTIS AG

US Patent


Assay Description
Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 1 nM concentrations is incubated wi...


US Patent US9284284 (2016)


BindingDB Entry DOI: 10.7270/Q25D8QP0
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM213740
PNG
(US9284284, 31)
Show SMILES COc1cccnc1Nc1ccc(F)c(n1)[C@]1(C)CO[C@](C)(C(N)=N1)C(F)(F)F |r,c:25|
Show InChI InChI=1S/C18H19F4N5O2/c1-16(9-29-17(2,15(23)27-16)18(20,21)22)13-10(19)6-7-12(25-13)26-14-11(28-3)5-4-8-24-14/h4-8H,9H2,1-3H3,(H2,23,27)(H,24,25,26)/t16-,17+/m0/s1
PDB

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n/an/a 1.70E+3n/an/an/an/a4.525



NOVARTIS AG

US Patent


Assay Description
Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 1 nM concentrations is incubated wi...


US Patent US9284284 (2016)


BindingDB Entry DOI: 10.7270/Q25D8QP0
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM213726
PNG
(US9284284, 17)
Show SMILES COc1ccnc(Nc2ccc(F)c(c2)[C@@]2(COCC(N)=N2)C(F)F)n1 |r,c:21|
Show InChI InChI=1S/C16H16F3N5O2/c1-25-13-4-5-21-15(23-13)22-9-2-3-11(17)10(6-9)16(14(18)19)8-26-7-12(20)24-16/h2-6,14H,7-8H2,1H3,(H2,20,24)(H,21,22,23)/t16-/m0/s1
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NOVARTIS AG

US Patent


Assay Description
Recombinant BACE-1 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 1 nM concentrations is incubated wi...


US Patent US9284284 (2016)


BindingDB Entry DOI: 10.7270/Q25D8QP0
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM213710
PNG
(US9284284, 1)
Show SMILES CC1(COCC(N)=N1)c1cccc(Nc2nsc3cc(Br)ccc23)c1 |c:6|
Show InChI InChI=1S/C18H17BrN4OS/c1-18(10-24-9-16(20)22-18)11-3-2-4-13(7-11)21-17-14-6-5-12(19)8-15(14)25-23-17/h2-8H,9-10H2,1H3,(H2,20,22)(H,21,23)
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n/an/a 1.90E+3n/an/an/an/a4.525



NOVARTIS AG

US Patent


Assay Description
Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 1 nM concentrations is incubated wi...


US Patent US9284284 (2016)


BindingDB Entry DOI: 10.7270/Q25D8QP0
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM213720
PNG
(US9284284, 11)
Show SMILES NC1=N[C@](COC1)(C(F)F)c1cc(Nc2nccc3cc(OCCCl)cnc23)ccc1F |r,t:1|
Show InChI InChI=1S/C21H19ClF3N5O2/c22-4-6-32-14-7-12-3-5-27-19(18(12)28-9-14)29-13-1-2-16(23)15(8-13)21(20(24)25)11-31-10-17(26)30-21/h1-3,5,7-9,20H,4,6,10-11H2,(H2,26,30)(H,27,29)/t21-/m0/s1
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NOVARTIS AG

US Patent


Assay Description
Recombinant BACE-1 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 1 nM concentrations is incubated wi...


US Patent US9284284 (2016)


BindingDB Entry DOI: 10.7270/Q25D8QP0
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM213713
PNG
(US9284284, 4)
Show SMILES CC1(COCC(N)=N1)c1cc(NCc2ccco2)ccc1F |c:6|
Show InChI InChI=1S/C16H18FN3O2/c1-16(10-21-9-15(18)20-16)13-7-11(4-5-14(13)17)19-8-12-3-2-6-22-12/h2-7,19H,8-10H2,1H3,(H2,18,20)
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NOVARTIS AG

US Patent


Assay Description
Recombinant BACE-1 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 1 nM concentrations is incubated wi...


US Patent US9284284 (2016)


BindingDB Entry DOI: 10.7270/Q25D8QP0
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM213713
PNG
(US9284284, 4)
Show SMILES CC1(COCC(N)=N1)c1cc(NCc2ccco2)ccc1F |c:6|
Show InChI InChI=1S/C16H18FN3O2/c1-16(10-21-9-15(18)20-16)13-7-11(4-5-14(13)17)19-8-12-3-2-6-22-12/h2-7,19H,8-10H2,1H3,(H2,18,20)
PDB

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NOVARTIS AG

US Patent


Assay Description
Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 1 nM concentrations is incubated wi...


US Patent US9284284 (2016)


BindingDB Entry DOI: 10.7270/Q25D8QP0
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM213727
PNG
(US9284284, 18)
Show SMILES COc1nccnc1Nc1ccc(F)c(c1)[C@@]1(COCC(N)=N1)C(F)F |r,c:23|
Show InChI InChI=1S/C16H16F3N5O2/c1-25-14-13(21-4-5-22-14)23-9-2-3-11(17)10(6-9)16(15(18)19)8-26-7-12(20)24-16/h2-6,15H,7-8H2,1H3,(H2,20,24)(H,21,23)/t16-/m0/s1
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NOVARTIS AG

US Patent


Assay Description
Recombinant BACE-1 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 1 nM concentrations is incubated wi...


US Patent US9284284 (2016)


BindingDB Entry DOI: 10.7270/Q25D8QP0
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM213735
PNG
(US9284284, 26)
Show SMILES COc1cc(cnc1Nc1ccc(F)c(c1)[C@@]1(COCC(N)=N1)C(F)F)[N+]([O-])=O |r,c:23|
Show InChI InChI=1S/C17H16F3N5O4/c1-28-13-5-10(25(26)27)6-22-15(13)23-9-2-3-12(18)11(4-9)17(16(19)20)8-29-7-14(21)24-17/h2-6,16H,7-8H2,1H3,(H2,21,24)(H,22,23)/t17-/m0/s1
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NOVARTIS AG

US Patent


Assay Description
Recombinant BACE-1 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 1 nM concentrations is incubated wi...


US Patent US9284284 (2016)


BindingDB Entry DOI: 10.7270/Q25D8QP0
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM213736
PNG
(US9284284, 27)
Show SMILES COc1cc(N)cnc1Nc1ccc(F)c(c1)[C@@]1(COCC(N)=N1)C(F)F |r,c:24|
Show InChI InChI=1S/C17H18F3N5O2/c1-26-13-4-9(21)6-23-15(13)24-10-2-3-12(18)11(5-10)17(16(19)20)8-27-7-14(22)25-17/h2-6,16H,7-8,21H2,1H3,(H2,22,25)(H,23,24)/t17-/m0/s1
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NOVARTIS AG

US Patent


Assay Description
Recombinant BACE-1 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 1 nM concentrations is incubated wi...


US Patent US9284284 (2016)


BindingDB Entry DOI: 10.7270/Q25D8QP0
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM213712
PNG
(US9284284, 3)
Show SMILES CC1(COCC(N)=N1)c1cccc(Nc2noc3ccccc23)c1 |c:6|
Show InChI InChI=1S/C18H18N4O2/c1-18(11-23-10-16(19)21-18)12-5-4-6-13(9-12)20-17-14-7-2-3-8-15(14)24-22-17/h2-9H,10-11H2,1H3,(H2,19,21)(H,20,22)
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NOVARTIS AG

US Patent


Assay Description
Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 1 nM concentrations is incubated wi...


US Patent US9284284 (2016)


BindingDB Entry DOI: 10.7270/Q25D8QP0
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM213714
PNG
(US9284284, 5)
Show SMILES NC1=NC(CF)(COC1)c1cc(NCc2ccc(Br)cc2Cl)ccc1F |t:1|
Show InChI InChI=1S/C18H17BrClF2N3O/c19-12-2-1-11(15(20)5-12)7-24-13-3-4-16(22)14(6-13)18(9-21)10-26-8-17(23)25-18/h1-6,24H,7-10H2,(H2,23,25)
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NOVARTIS AG

US Patent


Assay Description
Recombinant BACE-1 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 1 nM concentrations is incubated wi...


US Patent US9284284 (2016)


BindingDB Entry DOI: 10.7270/Q25D8QP0
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM213738
PNG
(US9284284, 29)
Show SMILES COc1ccccc1Nc1ccc(F)c(n1)[C@]1(C)CO[C@](C)(C(N)=N1)C(F)(F)F |r,c:25|
Show InChI InChI=1S/C19H20F4N4O2/c1-17(10-29-18(2,16(24)27-17)19(21,22)23)15-11(20)8-9-14(26-15)25-12-6-4-5-7-13(12)28-3/h4-9H,10H2,1-3H3,(H2,24,27)(H,25,26)/t17-,18+/m0/s1
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NOVARTIS AG

US Patent


Assay Description
Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 1 nM concentrations is incubated wi...


US Patent US9284284 (2016)


BindingDB Entry DOI: 10.7270/Q25D8QP0
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM213711
PNG
(US9284284, 2)
Show SMILES Cn1nc(Nc2cccc(c2)C2(C)COCC(N)=N2)c2ccc(Br)cc12 |c:18|
Show InChI InChI=1S/C19H20BrN5O/c1-19(11-26-10-17(21)23-19)12-4-3-5-14(8-12)22-18-15-7-6-13(20)9-16(15)25(2)24-18/h3-9H,10-11H2,1-2H3,(H2,21,23)(H,22,24)
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NOVARTIS AG

US Patent


Assay Description
Recombinant BACE-1 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 1 nM concentrations is incubated wi...


US Patent US9284284 (2016)


BindingDB Entry DOI: 10.7270/Q25D8QP0
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM213714
PNG
(US9284284, 5)
Show SMILES NC1=NC(CF)(COC1)c1cc(NCc2ccc(Br)cc2Cl)ccc1F |t:1|
Show InChI InChI=1S/C18H17BrClF2N3O/c19-12-2-1-11(15(20)5-12)7-24-13-3-4-16(22)14(6-13)18(9-21)10-26-8-17(23)25-18/h1-6,24H,7-10H2,(H2,23,25)
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NOVARTIS AG

US Patent


Assay Description
Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 1 nM concentrations is incubated wi...


US Patent US9284284 (2016)


BindingDB Entry DOI: 10.7270/Q25D8QP0
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM213720
PNG
(US9284284, 11)
Show SMILES NC1=N[C@](COC1)(C(F)F)c1cc(Nc2nccc3cc(OCCCl)cnc23)ccc1F |r,t:1|
Show InChI InChI=1S/C21H19ClF3N5O2/c22-4-6-32-14-7-12-3-5-27-19(18(12)28-9-14)29-13-1-2-16(23)15(8-13)21(20(24)25)11-31-10-17(26)30-21/h1-3,5,7-9,20H,4,6,10-11H2,(H2,26,30)(H,27,29)/t21-/m0/s1
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NOVARTIS AG

US Patent


Assay Description
Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 1 nM concentrations is incubated wi...


US Patent US9284284 (2016)


BindingDB Entry DOI: 10.7270/Q25D8QP0
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM213715
PNG
(US9284284, 6)
Show SMILES NC1=NC(COC1)(C(F)F)c1cc(NCc2cc(Br)co2)ccc1F |t:1|
Show InChI InChI=1S/C16H15BrF3N3O2/c17-9-3-11(25-6-9)5-22-10-1-2-13(18)12(4-10)16(15(19)20)8-24-7-14(21)23-16/h1-4,6,15,22H,5,7-8H2,(H2,21,23)
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NOVARTIS AG

US Patent


Assay Description
Recombinant BACE-1 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 1 nM concentrations is incubated wi...


US Patent US9284284 (2016)


BindingDB Entry DOI: 10.7270/Q25D8QP0
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM213740
PNG
(US9284284, 31)
Show SMILES COc1cccnc1Nc1ccc(F)c(n1)[C@]1(C)CO[C@](C)(C(N)=N1)C(F)(F)F |r,c:25|
Show InChI InChI=1S/C18H19F4N5O2/c1-16(9-29-17(2,15(23)27-16)18(20,21)22)13-10(19)6-7-12(25-13)26-14-11(28-3)5-4-8-24-14/h4-8H,9H2,1-3H3,(H2,23,27)(H,24,25,26)/t16-,17+/m0/s1
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NOVARTIS AG

US Patent


Assay Description
Recombinant BACE-1 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 1 nM concentrations is incubated wi...


US Patent US9284284 (2016)


BindingDB Entry DOI: 10.7270/Q25D8QP0
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM213719
PNG
(US9284284, 10)
Show SMILES COCCOc1cnc2c(Nc3ccc(F)c(c3)[C@@]3(COCC(N)=N3)C(F)F)nccc2c1 |r,c:24|
Show InChI InChI=1S/C22H22F3N5O3/c1-31-6-7-33-15-8-13-4-5-27-20(19(13)28-10-15)29-14-2-3-17(23)16(9-14)22(21(24)25)12-32-11-18(26)30-22/h2-5,8-10,21H,6-7,11-12H2,1H3,(H2,26,30)(H,27,29)/t22-/m0/s1
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NOVARTIS AG

US Patent


Assay Description
Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 1 nM concentrations is incubated wi...


US Patent US9284284 (2016)


BindingDB Entry DOI: 10.7270/Q25D8QP0
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM213715
PNG
(US9284284, 6)
Show SMILES NC1=NC(COC1)(C(F)F)c1cc(NCc2cc(Br)co2)ccc1F |t:1|
Show InChI InChI=1S/C16H15BrF3N3O2/c17-9-3-11(25-6-9)5-22-10-1-2-13(18)12(4-10)16(15(19)20)8-24-7-14(21)23-16/h1-4,6,15,22H,5,7-8H2,(H2,21,23)
PDB

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NOVARTIS AG

US Patent


Assay Description
Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 1 nM concentrations is incubated wi...


US Patent US9284284 (2016)


BindingDB Entry DOI: 10.7270/Q25D8QP0
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM213725
PNG
(US9284284, 16)
Show SMILES NC1=N[C@](COC1)(C(F)F)c1cc(Nc2ncccn2)ccc1F |r,t:1|
Show InChI InChI=1S/C15H14F3N5O/c16-11-3-2-9(22-14-20-4-1-5-21-14)6-10(11)15(13(17)18)8-24-7-12(19)23-15/h1-6,13H,7-8H2,(H2,19,23)(H,20,21,22)/t15-/m0/s1
PDB
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NOVARTIS AG

US Patent


Assay Description
Recombinant BACE-1 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 1 nM concentrations is incubated wi...


US Patent US9284284 (2016)


BindingDB Entry DOI: 10.7270/Q25D8QP0
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM213712
PNG
(US9284284, 3)
Show SMILES CC1(COCC(N)=N1)c1cccc(Nc2noc3ccccc23)c1 |c:6|
Show InChI InChI=1S/C18H18N4O2/c1-18(11-23-10-16(19)21-18)12-5-4-6-13(9-12)20-17-14-7-2-3-8-15(14)24-22-17/h2-9H,10-11H2,1H3,(H2,19,21)(H,20,22)
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NOVARTIS AG

US Patent


Assay Description
Recombinant BACE-1 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 1 nM concentrations is incubated wi...


US Patent US9284284 (2016)


BindingDB Entry DOI: 10.7270/Q25D8QP0
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM213741
PNG
(US9284284, 32)
Show SMILES Cn1nc(Nc2cccc(c2)[C@]2(C)COCC(N)=N2)c2ccccc12 |r,c:18|
Show InChI InChI=1S/C19H21N5O/c1-19(12-25-11-17(20)22-19)13-6-5-7-14(10-13)21-18-15-8-3-4-9-16(15)24(2)23-18/h3-10H,11-12H2,1-2H3,(H2,20,22)(H,21,23)/t19-/m0/s1
PDB

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NOVARTIS AG

US Patent


Assay Description
Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 1 nM concentrations is incubated wi...


US Patent US9284284 (2016)


BindingDB Entry DOI: 10.7270/Q25D8QP0
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM213738
PNG
(US9284284, 29)
Show SMILES COc1ccccc1Nc1ccc(F)c(n1)[C@]1(C)CO[C@](C)(C(N)=N1)C(F)(F)F |r,c:25|
Show InChI InChI=1S/C19H20F4N4O2/c1-17(10-29-18(2,16(24)27-17)19(21,22)23)15-11(20)8-9-14(26-15)25-12-6-4-5-7-13(12)28-3/h4-9H,10H2,1-3H3,(H2,24,27)(H,25,26)/t17-,18+/m0/s1
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NOVARTIS AG

US Patent


Assay Description
Recombinant BACE-1 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 1 nM concentrations is incubated wi...


US Patent US9284284 (2016)


BindingDB Entry DOI: 10.7270/Q25D8QP0
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM213725
PNG
(US9284284, 16)
Show SMILES NC1=N[C@](COC1)(C(F)F)c1cc(Nc2ncccn2)ccc1F |r,t:1|
Show InChI InChI=1S/C15H14F3N5O/c16-11-3-2-9(22-14-20-4-1-5-21-14)6-10(11)15(13(17)18)8-24-7-12(19)23-15/h1-6,13H,7-8H2,(H2,19,23)(H,20,21,22)/t15-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/a4.525



NOVARTIS AG

US Patent


Assay Description
Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 1 nM concentrations is incubated wi...


US Patent US9284284 (2016)


BindingDB Entry DOI: 10.7270/Q25D8QP0
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM213741
PNG
(US9284284, 32)
Show SMILES Cn1nc(Nc2cccc(c2)[C@]2(C)COCC(N)=N2)c2ccccc12 |r,c:18|
Show InChI InChI=1S/C19H21N5O/c1-19(12-25-11-17(20)22-19)13-6-5-7-14(10-13)21-18-15-8-3-4-9-16(15)24(2)23-18/h3-10H,11-12H2,1-2H3,(H2,20,22)(H,21,23)/t19-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/a4.525



NOVARTIS AG

US Patent


Assay Description
Recombinant BACE-1 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 1 nM concentrations is incubated wi...


US Patent US9284284 (2016)


BindingDB Entry DOI: 10.7270/Q25D8QP0
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM213711
PNG
(US9284284, 2)
Show SMILES Cn1nc(Nc2cccc(c2)C2(C)COCC(N)=N2)c2ccc(Br)cc12 |c:18|
Show InChI InChI=1S/C19H20BrN5O/c1-19(11-26-10-17(21)23-19)12-4-3-5-14(8-12)22-18-15-7-6-13(20)9-16(15)25(2)24-18/h3-9H,10-11H2,1-2H3,(H2,21,23)(H,22,24)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/a4.525



NOVARTIS AG

US Patent


Assay Description
Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 1 nM concentrations is incubated wi...


US Patent US9284284 (2016)


BindingDB Entry DOI: 10.7270/Q25D8QP0
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%