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Found 166 hits Enz. Inhib. hit(s) with Target = 'Beta-secretase 1 (BACE)'   
Target
(Institution)
LigandTarget
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 (BACE)


(Homo sapiens (Human))
BDBM113298
PNG
(US8633212, 76 | US9212153, 76)
Show SMILES COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C)C2=O)C#CC2CC2)CC1
Show InChI InChI=1S/C23H27N3O2/c1-26-20(27)23(25-21(26)24)19-13-16(6-5-15-3-4-15)7-8-17(19)14-22(23)11-9-18(28-2)10-12-22/h7-8,13,15,18H,3-4,9-12,14H2,1-2H3,(H2,24,25)
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n/an/a 2.10n/an/an/an/an/an/a



Vitae Pharmaceuticals, Inc.; Boehringer Ingelheim International GmbH

US Patent


Assay Description
Inhibitory activity of compounds was assessed by a fluorescence quench assay of BACE activity. The assay was performed at room temperature in 96-well...


US Patent US8633212 (2014)

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


(Homo sapiens (Human))
BDBM113223
PNG
(US8633212, 1)
Show InChI InChI=1S/C23H25ClFN3O2/c1-28-21(26)27-23(30-28)20-11-14(16-9-17(24)12-18(25)10-16)3-4-15(20)13-22(23)7-5-19(29-2)6-8-22/h3-4,9-12,19H,5-8,13H2,1-2H3,(H2,26,27)
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n/an/a 2.60n/an/an/an/an/an/a



Vitae Pharmaceuticals, Inc.; Boehringer Ingelheim International GmbH

US Patent


Assay Description
Inhibitory activity of compounds was assessed by a fluorescence quench assay of BACE activity. The assay was performed at room temperature in 96-well...


US Patent US8633212 (2014)

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


(Homo sapiens (Human))
BDBM113224
PNG
(US8633212, 2)
Show InChI InChI=1S/C24H25ClN4O2/c1-29-22(27)28-24(31-29)21-12-16(18-9-15(14-26)10-19(25)11-18)3-4-17(21)13-23(24)7-5-20(30-2)6-8-23/h3-4,9-12,20H,5-8,13H2,1-2H3,(H2,27,28)
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n/an/a 3.5n/an/an/an/an/an/a



Vitae Pharmaceuticals, Inc.; Boehringer Ingelheim International GmbH

US Patent


Assay Description
Inhibitory activity of compounds was assessed by a fluorescence quench assay of BACE activity. The assay was performed at room temperature in 96-well...


US Patent US8633212 (2014)

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


(Homo sapiens (Human))
BDBM113392
PNG
(US8633212, 578 | US9212153, 578)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(Oc4ccccc4)cc3[C@]22N=C(N)N(C)C2=O)CC1
Show InChI InChI=1S/C24H27N3O3/c1-27-21(28)24(26-22(27)25)20-14-19(30-18-6-4-3-5-7-18)9-8-16(20)15-23(24)12-10-17(29-2)11-13-23/h3-9,14,17H,10-13,15H2,1-2H3,(H2,25,26)/t17-,23-,24-/m1/s1
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n/an/a 3.90n/an/an/an/an/an/a



Vitae Pharmaceuticals, Inc.; Boehringer Ingelheim International GmbH

US Patent


Assay Description
For each compound being tested, the BACE activity was monitored in a fluorescence quenching assay (FRET) using the ectodomain of BACE (aa 1-454) fuse...


US Patent US8633212 (2014)

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


(Homo sapiens (Human))
BDBM113226
PNG
(US8633212, 4)
Show InChI InChI=1S/C25H26N4O2/c1-29-22(30)25(28-23(29)27)21-13-18(17-5-3-4-16(12-17)15-26)6-7-19(21)14-24(25)10-8-20(31-2)9-11-24/h3-7,12-13,20H,8-11,14H2,1-2H3,(H2,27,28)
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n/an/a 4n/an/an/an/an/an/a



Vitae Pharmaceuticals, Inc.; Boehringer Ingelheim International GmbH

US Patent


Assay Description
Inhibitory activity of compounds was assessed by a fluorescence quench assay of BACE activity. The assay was performed at room temperature in 96-well...


US Patent US8633212 (2014)

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


(Homo sapiens (Human))
BDBM113227
PNG
(US8633212, 5)
Show InChI InChI=1S/C23H26ClN3O2/c1-27-21(25)26-23(29-27)20-13-16(15-4-3-5-18(24)12-15)6-7-17(20)14-22(23)10-8-19(28-2)9-11-22/h3-7,12-13,19H,8-11,14H2,1-2H3,(H2,25,26)
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n/an/a 4.5n/an/an/an/an/an/a



Vitae Pharmaceuticals, Inc.; Boehringer Ingelheim International GmbH

US Patent


Assay Description
Inhibitory activity of compounds was assessed by a fluorescence quench assay of BACE activity. The assay was performed at room temperature in 96-well...


US Patent US8633212 (2014)

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


(Homo sapiens (Human))
BDBM113225
PNG
(US8633212, 3)
Show SMILES COC1CCC2(Cc3ccc(cc3C22ON(C)C(N)=N2)C#CC2CC2)CC1
Show InChI InChI=1S/C22H27N3O2/c1-25-20(23)24-22(27-25)19-13-16(6-5-15-3-4-15)7-8-17(19)14-21(22)11-9-18(26-2)10-12-21/h7-8,13,15,18H,3-4,9-12,14H2,1-2H3,(H2,23,24)
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n/an/a 4.5n/an/an/an/an/an/a



Vitae Pharmaceuticals, Inc.; Boehringer Ingelheim International GmbH

US Patent


Assay Description
Inhibitory activity of compounds was assessed by a fluorescence quench assay of BACE activity. The assay was performed at room temperature in 96-well...


US Patent US8633212 (2014)

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


(Homo sapiens (Human))
BDBM113364
PNG
(US8633212, 543 | US9212153, 543)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(N)N(CC(=O)OC(C)C)C2=O)C#CC2CC2)CC1
Show InChI InChI=1S/C27H33N3O4/c1-17(2)34-23(31)16-30-24(32)27(29-25(30)28)22-14-19(7-6-18-4-5-18)8-9-20(22)15-26(27)12-10-21(33-3)11-13-26/h8-9,14,17-18,21H,4-5,10-13,15-16H2,1-3H3,(H2,28,29)/t21-,26-,27?
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n/an/a 4.5n/an/an/an/an/an/a



Vitae Pharmaceuticals, Inc.; Boehringer Ingelheim International GmbH

US Patent


Assay Description
For each compound being tested, the BACE activity was monitored in a fluorescence quenching assay (FRET) using the ectodomain of BACE (aa 1-454) fuse...


US Patent US8633212 (2014)

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


(Homo sapiens (Human))
BDBM113228
PNG
(US8633212, 6)
Show InChI InChI=1S/C23H25Cl2N3O2/c1-28-21(26)27-23(30-28)20-11-14(16-9-17(24)12-18(25)10-16)3-4-15(20)13-22(23)7-5-19(29-2)6-8-22/h3-4,9-12,19H,5-8,13H2,1-2H3,(H2,26,27)
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n/an/a 4.80n/an/an/an/an/an/a



Vitae Pharmaceuticals, Inc.; Boehringer Ingelheim International GmbH

US Patent


Assay Description
Inhibitory activity of compounds was assessed by a fluorescence quench assay of BACE activity. The assay was performed at room temperature in 96-well...


US Patent US8633212 (2014)

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


(Homo sapiens (Human))
BDBM113352
PNG
(US8633212, 524 | US9212153, 524)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(N)N(CC(O)=O)C2=O)C#CC2CC2)CC1
Show InChI InChI=1S/C24H27N3O4/c1-31-18-8-10-23(11-9-18)13-17-7-6-16(5-4-15-2-3-15)12-19(17)24(23)21(30)27(14-20(28)29)22(25)26-24/h6-7,12,15,18H,2-3,8-11,13-14H2,1H3,(H2,25,26)(H,28,29)/t18-,23-,24?
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n/an/a 5n/an/an/an/an/an/a



Vitae Pharmaceuticals, Inc.; Boehringer Ingelheim International GmbH

US Patent


Assay Description
For each compound being tested, the BACE activity was monitored in a fluorescence quenching assay (FRET) using the ectodomain of BACE (aa 1-454) fuse...


US Patent US8633212 (2014)

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


(Homo sapiens (Human))
BDBM113251
PNG
(US8633212, 29 | US9212153, 29)
Show SMILES CN1C(N)=NC2(C1=O)c1cc(ccc1CC21CCc2ccccc2CC1)-c1cccc(c1)C#N
Show InChI InChI=1S/C29H26N4O/c1-33-26(34)29(32-27(33)31)25-16-23(22-8-4-5-19(15-22)18-30)9-10-24(25)17-28(29)13-11-20-6-2-3-7-21(20)12-14-28/h2-10,15-16H,11-14,17H2,1H3,(H2,31,32)
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n/an/a 5.30n/an/an/an/an/an/a



Vitae Pharmaceuticals, Inc.; Boehringer Ingelheim International GmbH

US Patent


Assay Description
For each compound being tested, the BACE activity was monitored in a fluorescence quenching assay (FRET) using the ectodomain of BACE (aa 1-454) fuse...


US Patent US8633212 (2014)

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


(Homo sapiens (Human))
BDBM113230
PNG
(US8633212, 8)
Show InChI InChI=1S/C24H25FN4O2/c1-29-22(27)28-24(31-29)21-12-16(18-9-15(14-26)10-19(25)11-18)3-4-17(21)13-23(24)7-5-20(30-2)6-8-23/h3-4,9-12,20H,5-8,13H2,1-2H3,(H2,27,28)
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n/an/a 5.90n/an/an/an/an/an/a



Vitae Pharmaceuticals, Inc.; Boehringer Ingelheim International GmbH

US Patent


Assay Description
Inhibitory activity of compounds was assessed by a fluorescence quench assay of BACE activity. The assay was performed at room temperature in 96-well...


US Patent US8633212 (2014)

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


(Homo sapiens (Human))
BDBM113229
PNG
(US8633212, 7)
Show InChI InChI=1S/C24H28ClN3O3/c1-28-22(26)27-24(31-28)21-12-15(17-10-18(25)13-20(11-17)30-3)4-5-16(21)14-23(24)8-6-19(29-2)7-9-23/h4-5,10-13,19H,6-9,14H2,1-3H3,(H2,26,27)
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n/an/a 5.90n/an/an/an/an/an/a



Vitae Pharmaceuticals, Inc.; Boehringer Ingelheim International GmbH

US Patent


Assay Description
Inhibitory activity of compounds was assessed by a fluorescence quench assay of BACE activity. The assay was performed at room temperature in 96-well...


US Patent US8633212 (2014)

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


(Homo sapiens (Human))
BDBM113403
PNG
(US8633212, 593 | US9212153, 593)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(Oc4cc(Cl)cc(Cl)c4)cc3C22N=C(N)N(C)C2=O)CC1
Show InChI InChI=1S/C24H25Cl2N3O3/c1-29-21(30)24(28-22(29)27)20-12-18(32-19-10-15(25)9-16(26)11-19)4-3-14(20)13-23(24)7-5-17(31-2)6-8-23/h3-4,9-12,17H,5-8,13H2,1-2H3,(H2,27,28)/t17-,23-,24?
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n/an/a 6n/an/an/an/an/an/a



Vitae Pharmaceuticals, Inc.; Boehringer Ingelheim International GmbH

US Patent


Assay Description
For each compound being tested, the BACE activity was monitored in a fluorescence quenching assay (FRET) using the ectodomain of BACE (aa 1-454) fuse...


US Patent US8633212 (2014)

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


(Homo sapiens (Human))
BDBM113412
PNG
(US8633212, 602 | US9212153, 602)
Show SMILES COCCCOc1ccc2C[C@@]3(CC[C@@H](CC3)OC)C3(N=C(N)N(CC(F)F)C3=O)c2c1
Show InChI InChI=1S/C23H31F2N3O4/c1-30-10-3-11-32-17-5-4-15-13-22(8-6-16(31-2)7-9-22)23(18(15)12-17)20(29)28(14-19(24)25)21(26)27-23/h4-5,12,16,19H,3,6-11,13-14H2,1-2H3,(H2,26,27)/t16-,22-,23?
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n/an/a 6.20n/an/an/an/an/an/a



Vitae Pharmaceuticals, Inc.; Boehringer Ingelheim International GmbH

US Patent


Assay Description
For each compound being tested, the BACE activity was monitored in a fluorescence quenching assay (FRET) using the ectodomain of BACE (aa 1-454) fuse...


US Patent US8633212 (2014)

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


(Homo sapiens (Human))
BDBM113231
PNG
(US8633212, 9)
Show InChI InChI=1S/C24H26F3N3O3/c1-30-21(28)29-23(33-30)20-13-16(15-4-3-5-19(12-15)32-24(25,26)27)6-7-17(20)14-22(23)10-8-18(31-2)9-11-22/h3-7,12-13,18H,8-11,14H2,1-2H3,(H2,28,29)
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n/an/a 7n/an/an/an/an/an/a



Vitae Pharmaceuticals, Inc.; Boehringer Ingelheim International GmbH

US Patent


Assay Description
Inhibitory activity of compounds was assessed by a fluorescence quench assay of BACE activity. The assay was performed at room temperature in 96-well...


US Patent US8633212 (2014)

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


(Homo sapiens (Human))
BDBM113402
PNG
(US8633212, 592 | US9212153, 592)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(Oc4cccc(c4)C#N)cc3C22N=C(N)N(C)C2=O)CC1
Show InChI InChI=1S/C25H26N4O3/c1-29-22(30)25(28-23(29)27)21-13-20(32-19-5-3-4-16(12-19)15-26)7-6-17(21)14-24(25)10-8-18(31-2)9-11-24/h3-7,12-13,18H,8-11,14H2,1-2H3,(H2,27,28)/t18-,24-,25?
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n/an/a 7n/an/an/an/an/an/a



Vitae Pharmaceuticals, Inc.; Boehringer Ingelheim International GmbH

US Patent


Assay Description
For each compound being tested, the BACE activity was monitored in a fluorescence quenching assay (FRET) using the ectodomain of BACE (aa 1-454) fuse...


US Patent US8633212 (2014)

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


(Homo sapiens (Human))
BDBM113232
PNG
(US8633212, 10 | US9212153, 10)
Show SMILES CN1OC2(N=C1N)c1cc(ccc1CC21CCc2ccccc2CC1)-c1cc(Cl)cc(c1)C#N
Show InChI InChI=1S/C28H25ClN4O/c1-33-26(31)32-28(34-33)25-15-21(23-12-18(17-30)13-24(29)14-23)6-7-22(25)16-27(28)10-8-19-4-2-3-5-20(19)9-11-27/h2-7,12-15H,8-11,16H2,1H3,(H2,31,32)
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n/an/a 7.40n/an/an/an/an/an/a



Vitae Pharmaceuticals, Inc.; Boehringer Ingelheim International GmbH

US Patent


Assay Description
Inhibitory activity of compounds was assessed by a fluorescence quench assay of BACE activity. The assay was performed at room temperature in 96-well...


US Patent US8633212 (2014)

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


(Homo sapiens (Human))
BDBM113233
PNG
(US8633212, 11)
Show SMILES COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C)C2=O)-c2cccc(OC(F)(F)F)c2)CC1
Show InChI InChI=1S/C25H26F3N3O3/c1-31-21(32)24(30-22(31)29)20-13-16(15-4-3-5-19(12-15)34-25(26,27)28)6-7-17(20)14-23(24)10-8-18(33-2)9-11-23/h3-7,12-13,18H,8-11,14H2,1-2H3,(H2,29,30)
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n/an/a 7.80n/an/an/an/an/an/a



Vitae Pharmaceuticals, Inc.; Boehringer Ingelheim International GmbH

US Patent


Assay Description
Inhibitory activity of compounds was assessed by a fluorescence quench assay of BACE activity. The assay was performed at room temperature in 96-well...


US Patent US8633212 (2014)

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


(Homo sapiens (Human))
BDBM113234
PNG
(US8633212, 12)
Show InChI InChI=1S/C24H25FN4O2/c1-29-22(27)28-24(31-29)20-12-16(15-5-6-21(25)18(11-15)14-26)3-4-17(20)13-23(24)9-7-19(30-2)8-10-23/h3-6,11-12,19H,7-10,13H2,1-2H3,(H2,27,28)
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n/an/a 7.90n/an/an/an/an/an/a



Vitae Pharmaceuticals, Inc.; Boehringer Ingelheim International GmbH

US Patent


Assay Description
Inhibitory activity of compounds was assessed by a fluorescence quench assay of BACE activity. The assay was performed at room temperature in 96-well...


US Patent US8633212 (2014)

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


(Homo sapiens (Human))
BDBM113346
PNG
(US8633212, 514 | US9212153, 514)
Show SMILES CCN1C(N)=NC2(C1=O)c1cc(CCC(C)C)ccc1C[C@@]21CC[C@@H](CC1)OC
Show InChI InChI=1S/C24H35N3O2/c1-5-27-21(28)24(26-22(27)25)20-14-17(7-6-16(2)3)8-9-18(20)15-23(24)12-10-19(29-4)11-13-23/h8-9,14,16,19H,5-7,10-13,15H2,1-4H3,(H2,25,26)/t19-,23-,24?
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n/an/a 8n/an/an/an/an/an/a



Vitae Pharmaceuticals, Inc.; Boehringer Ingelheim International GmbH

US Patent


Assay Description
For each compound being tested, the BACE activity was monitored in a fluorescence quenching assay (FRET) using the ectodomain of BACE (aa 1-454) fuse...


US Patent US8633212 (2014)

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


(Homo sapiens (Human))
BDBM113235
PNG
(US8633212, 13)
Show InChI InChI=1S/C23H25ClFN3O2/c1-28-21(26)27-23(30-28)18-11-14(15-5-6-20(25)19(24)12-15)3-4-16(18)13-22(23)9-7-17(29-2)8-10-22/h3-6,11-12,17H,7-10,13H2,1-2H3,(H2,26,27)
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n/an/a 8.80n/an/an/an/an/an/a



Vitae Pharmaceuticals, Inc.; Boehringer Ingelheim International GmbH

US Patent


Assay Description
Inhibitory activity of compounds was assessed by a fluorescence quench assay of BACE activity. The assay was performed at room temperature in 96-well...


US Patent US8633212 (2014)

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


(Homo sapiens (Human))
BDBM113343
PNG
(US8633212, 511 | US9212153, 511)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(CCC(C)C)cc3C22N=C(N)N(CC(F)F)C2=O)CC1
Show InChI InChI=1S/C24H33F2N3O2/c1-15(2)4-5-16-6-7-17-13-23(10-8-18(31-3)9-11-23)24(19(17)12-16)21(30)29(14-20(25)26)22(27)28-24/h6-7,12,15,18,20H,4-5,8-11,13-14H2,1-3H3,(H2,27,28)/t18-,23-,24?
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n/an/a 9n/an/an/an/an/an/a



Vitae Pharmaceuticals, Inc.; Boehringer Ingelheim International GmbH

US Patent


Assay Description
For each compound being tested, the BACE activity was monitored in a fluorescence quenching assay (FRET) using the ectodomain of BACE (aa 1-454) fuse...


US Patent US8633212 (2014)

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


(Homo sapiens (Human))
BDBM113345
PNG
(US8633212, 513 | US9212153, 513)
Show SMILES COCCN1C(N)=NC2(C1=O)c1cc(CCC(C)C)ccc1C[C@@]21CC[C@@H](CC1)OC
Show InChI InChI=1S/C25H37N3O3/c1-17(2)5-6-18-7-8-19-16-24(11-9-20(31-4)10-12-24)25(21(19)15-18)22(29)28(13-14-30-3)23(26)27-25/h7-8,15,17,20H,5-6,9-14,16H2,1-4H3,(H2,26,27)/t20-,24-,25?
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n/an/a 9n/an/an/an/an/an/a



Vitae Pharmaceuticals, Inc.; Boehringer Ingelheim International GmbH

US Patent


Assay Description
For each compound being tested, the BACE activity was monitored in a fluorescence quenching assay (FRET) using the ectodomain of BACE (aa 1-454) fuse...


US Patent US8633212 (2014)

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


(Homo sapiens (Human))
BDBM113366
PNG
(US8633212, 545 | US9212153, 545)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(N)N(Cc3nnc(C)s3)C2=O)C#CC2CC2)CC1
Show InChI InChI=1S/C26H29N5O2S/c1-16-29-30-22(34-16)15-31-23(32)26(28-24(31)27)21-13-18(6-5-17-3-4-17)7-8-19(21)14-25(26)11-9-20(33-2)10-12-25/h7-8,13,17,20H,3-4,9-12,14-15H2,1-2H3,(H2,27,28)/t20-,25-,26?
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n/an/a 9.40n/an/an/an/an/an/a



Vitae Pharmaceuticals, Inc.; Boehringer Ingelheim International GmbH

US Patent


Assay Description
For each compound being tested, the BACE activity was monitored in a fluorescence quenching assay (FRET) using the ectodomain of BACE (aa 1-454) fuse...


US Patent US8633212 (2014)

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


(Homo sapiens (Human))
BDBM113333
PNG
(US8633212, 501 | US8633212, 515 | US9212153, 515)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(CCC(C)C)cc3C22N=C(N)N(C)C2=O)CC1
Show InChI InChI=1S/C23H33N3O2/c1-15(2)5-6-16-7-8-17-14-22(11-9-18(28-4)10-12-22)23(19(17)13-16)20(27)26(3)21(24)25-23/h7-8,13,15,18H,5-6,9-12,14H2,1-4H3,(H2,24,25)/t18-,22-,23?
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n/an/a 10n/an/an/an/an/an/a



Vitae Pharmaceuticals, Inc.; Boehringer Ingelheim International GmbH

US Patent


Assay Description
For each compound being tested, the BACE activity was monitored in a fluorescence quenching assay (FRET) using the ectodomain of BACE (aa 1-454) fuse...


US Patent US8633212 (2014)

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


(Homo sapiens (Human))
BDBM113363
PNG
(US8633212, 542 | US9212153, 542)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(N)N(CC(N)=O)C2=O)C#CC2CC2)CC1
Show InChI InChI=1S/C24H28N4O3/c1-31-18-8-10-23(11-9-18)13-17-7-6-16(5-4-15-2-3-15)12-19(17)24(23)21(30)28(14-20(25)29)22(26)27-24/h6-7,12,15,18H,2-3,8-11,13-14H2,1H3,(H2,25,29)(H2,26,27)/t18-,23-,24?
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n/an/a 11n/an/an/an/an/an/a



Vitae Pharmaceuticals, Inc.; Boehringer Ingelheim International GmbH

US Patent


Assay Description
For each compound being tested, the BACE activity was monitored in a fluorescence quenching assay (FRET) using the ectodomain of BACE (aa 1-454) fuse...


US Patent US8633212 (2014)

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


(Homo sapiens (Human))
BDBM113236
PNG
(US8633212, 14)
Show SMILES COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C)C2=O)-c2cc(F)cc(Cl)c2)CC1
Show InChI InChI=1S/C24H25ClFN3O2/c1-29-21(30)24(28-22(29)27)20-11-14(16-9-17(25)12-18(26)10-16)3-4-15(20)13-23(24)7-5-19(31-2)6-8-23/h3-4,9-12,19H,5-8,13H2,1-2H3,(H2,27,28)
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n/an/a 11.1n/an/an/an/an/an/a



Vitae Pharmaceuticals, Inc.; Boehringer Ingelheim International GmbH

US Patent


Assay Description
Inhibitory activity of compounds was assessed by a fluorescence quench assay of BACE activity. The assay was performed at room temperature in 96-well...


US Patent US8633212 (2014)

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


(Homo sapiens (Human))
BDBM113237
PNG
(US8633212, 15 | US9212153, 15)
Show SMILES CN1OC2(N=C1N)c1cc(ccc1CC21CCc2ccccc2CC1)-c1cc(F)cc(Cl)c1
Show InChI InChI=1S/C27H25ClFN3O/c1-32-25(30)31-27(33-32)24-14-19(21-12-22(28)15-23(29)13-21)6-7-20(24)16-26(27)10-8-17-4-2-3-5-18(17)9-11-26/h2-7,12-15H,8-11,16H2,1H3,(H2,30,31)
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n/an/a 11.2n/an/an/an/an/an/a



Vitae Pharmaceuticals, Inc.; Boehringer Ingelheim International GmbH

US Patent


Assay Description
Inhibitory activity of compounds was assessed by a fluorescence quench assay of BACE activity. The assay was performed at room temperature in 96-well...


US Patent US8633212 (2014)

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


(Homo sapiens (Human))
BDBM113238
PNG
(US8633212, 16)
Show SMILES COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C)C2=O)-c2cc(Cl)cc(OC)c2)CC1
Show InChI InChI=1S/C25H28ClN3O3/c1-29-22(30)25(28-23(29)27)21-12-15(17-10-18(26)13-20(11-17)32-3)4-5-16(21)14-24(25)8-6-19(31-2)7-9-24/h4-5,10-13,19H,6-9,14H2,1-3H3,(H2,27,28)
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n/an/a 11.5n/an/an/an/an/an/a



Vitae Pharmaceuticals, Inc.; Boehringer Ingelheim International GmbH

US Patent


Assay Description
Inhibitory activity of compounds was assessed by a fluorescence quench assay of BACE activity. The assay was performed at room temperature in 96-well...


US Patent US8633212 (2014)

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


(Homo sapiens (Human))
BDBM113377
PNG
(US8633212, 561 | US9212153, 561)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(OCC(C)C)cc3C22N=C(N)N(CC(F)(F)F)C2=O)CC1
Show InChI InChI=1S/C23H30F3N3O3/c1-14(2)12-32-17-5-4-15-11-21(8-6-16(31-3)7-9-21)23(18(15)10-17)19(30)29(20(27)28-23)13-22(24,25)26/h4-5,10,14,16H,6-9,11-13H2,1-3H3,(H2,27,28)/t16-,21-,23?
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n/an/a 11.7n/an/an/an/an/an/a



Vitae Pharmaceuticals, Inc.; Boehringer Ingelheim International GmbH

US Patent


Assay Description
For each compound being tested, the BACE activity was monitored in a fluorescence quenching assay (FRET) using the ectodomain of BACE (aa 1-454) fuse...


US Patent US8633212 (2014)

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


(Homo sapiens (Human))
BDBM113409
PNG
(US8633212, 599 | US9212153, 599)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(OCC(C)C)cc3C22N=C(N)N(C(C)C)C2=O)CC1
Show InChI InChI=1S/C24H35N3O3/c1-15(2)14-30-19-7-6-17-13-23(10-8-18(29-5)9-11-23)24(20(17)12-19)21(28)27(16(3)4)22(25)26-24/h6-7,12,15-16,18H,8-11,13-14H2,1-5H3,(H2,25,26)/t18-,23-,24?
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n/an/a 12n/an/an/an/an/an/a



Vitae Pharmaceuticals, Inc.; Boehringer Ingelheim International GmbH

US Patent


Assay Description
For each compound being tested, the BACE activity was monitored in a fluorescence quenching assay (FRET) using the ectodomain of BACE (aa 1-454) fuse...


US Patent US8633212 (2014)

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


(Homo sapiens (Human))
BDBM113239
PNG
(US8633212, 17 | US9212153, 17)
Show SMILES CN1OC2(N=C1N)c1cc(ccc1CC21CCc2ccccc2CC1)-c1cccc(Cl)c1
Show InChI InChI=1S/C27H26ClN3O/c1-31-25(29)30-27(32-31)24-16-21(20-7-4-8-23(28)15-20)9-10-22(24)17-26(27)13-11-18-5-2-3-6-19(18)12-14-26/h2-10,15-16H,11-14,17H2,1H3,(H2,29,30)
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n/an/a 12.1n/an/an/an/an/an/a



Vitae Pharmaceuticals, Inc.; Boehringer Ingelheim International GmbH

US Patent


Assay Description
Inhibitory activity of compounds was assessed by a fluorescence quench assay of BACE activity. The assay was performed at room temperature in 96-well...


US Patent US8633212 (2014)

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


(Homo sapiens (Human))
BDBM113241
PNG
(US8633212, 19)
Show InChI InChI=1S/C25H31N3O2/c1-16-11-17(2)13-20(12-16)18-5-6-19-15-24(9-7-21(29-4)8-10-24)25(22(19)14-18)27-23(26)28(3)30-25/h5-6,11-14,21H,7-10,15H2,1-4H3,(H2,26,27)
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n/an/a 14.6n/an/an/an/an/an/a



Vitae Pharmaceuticals, Inc.; Boehringer Ingelheim International GmbH

US Patent


Assay Description
Inhibitory activity of compounds was assessed by a fluorescence quench assay of BACE activity. The assay was performed at room temperature in 96-well...


US Patent US8633212 (2014)

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


(Homo sapiens (Human))
BDBM113408
PNG
(US8633212, 598 | US9212153, 598)
Show SMILES CCO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(N)N(C)C2=O)-c2cccc(OC)c2)CC1
Show InChI InChI=1S/C26H31N3O3/c1-4-32-20-10-12-25(13-11-20)16-19-9-8-18(17-6-5-7-21(14-17)31-3)15-22(19)26(25)23(30)29(2)24(27)28-26/h5-9,14-15,20H,4,10-13,16H2,1-3H3,(H2,27,28)/t20-,25-,26?
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n/an/a 15n/an/an/an/an/an/a



Vitae Pharmaceuticals, Inc.; Boehringer Ingelheim International GmbH

US Patent


Assay Description
For each compound being tested, the BACE activity was monitored in a fluorescence quenching assay (FRET) using the ectodomain of BACE (aa 1-454) fuse...


US Patent US8633212 (2014)

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


(Homo sapiens (Human))
BDBM113333
PNG
(US8633212, 501 | US8633212, 515 | US9212153, 515)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(CCC(C)C)cc3C22N=C(N)N(C)C2=O)CC1
Show InChI InChI=1S/C23H33N3O2/c1-15(2)5-6-16-7-8-17-14-22(11-9-18(28-4)10-12-22)23(19(17)13-16)20(27)26(3)21(24)25-23/h7-8,13,15,18H,5-6,9-12,14H2,1-4H3,(H2,24,25)/t18-,22-,23?
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n/an/a 15.8n/an/an/an/an/an/a



Vitae Pharmaceuticals, Inc.; Boehringer Ingelheim International GmbH

US Patent


Assay Description
For each compound being tested, the BACE activity was monitored in a fluorescence quenching assay (FRET) using the ectodomain of BACE (aa 1-454) fuse...


US Patent US8633212 (2014)

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


(Homo sapiens (Human))
BDBM113393
PNG
(US8633212, 579 | US9212153, 579)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(Br)cc3[C@]22N=C(N)N(C)C2=O)CC1
Show InChI InChI=1S/C18H22BrN3O2/c1-22-15(23)18(21-16(22)20)14-9-12(19)4-3-11(14)10-17(18)7-5-13(24-2)6-8-17/h3-4,9,13H,5-8,10H2,1-2H3,(H2,20,21)/t13-,17-,18-/m1/s1
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n/an/a 15.9n/an/an/an/an/an/a



Vitae Pharmaceuticals, Inc.; Boehringer Ingelheim International GmbH

US Patent


Assay Description
For each compound being tested, the BACE activity was monitored in a fluorescence quenching assay (FRET) using the ectodomain of BACE (aa 1-454) fuse...


US Patent US8633212 (2014)

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


(Homo sapiens (Human))
BDBM113240
PNG
(US8633212, 18 | US9212153, 18)
Show SMILES COC1CCC2(Cc3ccc(cc3C22ON(C)C(N)=N2)-c2cccnc2)CC1
Show InChI InChI=1S/C22H26N4O2/c1-26-20(23)25-22(28-26)19-12-15(17-4-3-11-24-14-17)5-6-16(19)13-21(22)9-7-18(27-2)8-10-21/h3-6,11-12,14,18H,7-10,13H2,1-2H3,(H2,23,25)
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n/an/a 16.8n/an/an/an/an/an/a



Vitae Pharmaceuticals, Inc.; Boehringer Ingelheim International GmbH

US Patent


Assay Description
Inhibitory activity of compounds was assessed by a fluorescence quench assay of BACE activity. The assay was performed at room temperature in 96-well...


US Patent US8633212 (2014)

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


(Homo sapiens (Human))
BDBM113242
PNG
(US8633212, 20)
Show InChI InChI=1S/C24H26F3N3O2/c1-30-21(28)29-23(32-30)20-13-16(15-4-3-5-18(12-15)24(25,26)27)6-7-17(20)14-22(23)10-8-19(31-2)9-11-22/h3-7,12-13,19H,8-11,14H2,1-2H3,(H2,28,29)
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n/an/a 18.7n/an/an/an/an/an/a



Vitae Pharmaceuticals, Inc.; Boehringer Ingelheim International GmbH

US Patent


Assay Description
Inhibitory activity of compounds was assessed by a fluorescence quench assay of BACE activity. The assay was performed at room temperature in 96-well...


US Patent US8633212 (2014)

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


(Homo sapiens (Human))
BDBM113243
PNG
(US8633212, 21 | US9212153, 21)
Show SMILES CN1OC2(N=C1N)c1cc(ccc1CC21CCc2ccccc2CC1)-c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C27H25Cl2N3O/c1-32-25(30)31-27(33-32)24-14-19(21-12-22(28)15-23(29)13-21)6-7-20(24)16-26(27)10-8-17-4-2-3-5-18(17)9-11-26/h2-7,12-15H,8-11,16H2,1H3,(H2,30,31)
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n/an/a 18.9n/an/an/an/an/an/a



Vitae Pharmaceuticals, Inc.; Boehringer Ingelheim International GmbH

US Patent


Assay Description
Inhibitory activity of compounds was assessed by a fluorescence quench assay of BACE activity. The assay was performed at room temperature in 96-well...


US Patent US8633212 (2014)

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


(Homo sapiens (Human))
BDBM113244
PNG
(US8633212, 22 | US9212153, 22)
Show SMILES CN1OC2(N=C1N)c1cc(ccc1CC21CCc2ccccc2CC1)-c1cccc(c1)C#N
Show InChI InChI=1S/C28H26N4O/c1-32-26(30)31-28(33-32)25-16-23(22-8-4-5-19(15-22)18-29)9-10-24(25)17-27(28)13-11-20-6-2-3-7-21(20)12-14-27/h2-10,15-16H,11-14,17H2,1H3,(H2,30,31)
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n/an/a 19.3n/an/an/an/an/an/a



Vitae Pharmaceuticals, Inc.; Boehringer Ingelheim International GmbH

US Patent


Assay Description
Inhibitory activity of compounds was assessed by a fluorescence quench assay of BACE activity. The assay was performed at room temperature in 96-well...


US Patent US8633212 (2014)

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


(Homo sapiens (Human))
BDBM113245
PNG
(US8633212, 23 | US9212153, 23)
Show SMILES CN1OC2(N=C1N)c1cc(ccc1CC21CCc2ccccc2CC1)-c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C27H25ClFN3O/c1-32-25(30)31-27(33-32)22-14-19(20-8-9-24(29)23(28)15-20)6-7-21(22)16-26(27)12-10-17-4-2-3-5-18(17)11-13-26/h2-9,14-15H,10-13,16H2,1H3,(H2,30,31)
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n/an/a 20.7n/an/an/an/an/an/a



Vitae Pharmaceuticals, Inc.; Boehringer Ingelheim International GmbH

US Patent


Assay Description
Inhibitory activity of compounds was assessed by a fluorescence quench assay of BACE activity. The assay was performed at room temperature in 96-well...


US Patent US8633212 (2014)

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


(Homo sapiens (Human))
BDBM113365
PNG
(US8633212, 544 | US9212153, 544)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(N)N(CCC(=O)OC(C)C)C2=O)C#CC2CC2)CC1
Show InChI InChI=1S/C28H35N3O4/c1-18(2)35-24(32)12-15-31-25(33)28(30-26(31)29)23-16-20(7-6-19-4-5-19)8-9-21(23)17-27(28)13-10-22(34-3)11-14-27/h8-9,16,18-19,22H,4-5,10-15,17H2,1-3H3,(H2,29,30)/t22-,27-,28?
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n/an/a 21n/an/an/an/an/an/a



Vitae Pharmaceuticals, Inc.; Boehringer Ingelheim International GmbH

US Patent


Assay Description
For each compound being tested, the BACE activity was monitored in a fluorescence quenching assay (FRET) using the ectodomain of BACE (aa 1-454) fuse...


US Patent US8633212 (2014)

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


(Homo sapiens (Human))
BDBM113246
PNG
(US8633212, 24 | US9212153, 24)
Show SMILES CCOC1CCC2(Cc3ccc(cc3C22ON(C)C(N)=N2)C#CC2CC2)CC1
Show InChI InChI=1S/C23H29N3O2/c1-3-27-19-10-12-22(13-11-19)15-18-9-8-17(7-6-16-4-5-16)14-20(18)23(22)25-21(24)26(2)28-23/h8-9,14,16,19H,3-5,10-13,15H2,1-2H3,(H2,24,25)
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n/an/a 21n/an/an/an/an/an/a



Vitae Pharmaceuticals, Inc.; Boehringer Ingelheim International GmbH

US Patent


Assay Description
Inhibitory activity of compounds was assessed by a fluorescence quench assay of BACE activity. The assay was performed at room temperature in 96-well...


US Patent US8633212 (2014)

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


(Homo sapiens (Human))
BDBM113369
PNG
(US8633212, 548)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22CC(=N)N(C(C)C)C2=O)-c2cnc(C)nc2)CC1
Show InChI InChI=1S/C26H32N4O2/c1-16(2)30-23(27)13-26(24(30)31)22-11-18(20-14-28-17(3)29-15-20)5-6-19(22)12-25(26)9-7-21(32-4)8-10-25/h5-6,11,14-16,21,27H,7-10,12-13H2,1-4H3/t21-,25-,26?
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n/an/a 23n/an/an/an/an/an/a



Vitae Pharmaceuticals, Inc.; Boehringer Ingelheim International GmbH

US Patent


Assay Description
For each compound being tested, the BACE activity was monitored in a fluorescence quenching assay (FRET) using the ectodomain of BACE (aa 1-454) fuse...


US Patent US8633212 (2014)

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


(Homo sapiens (Human))
BDBM113372
PNG
(US8633212, 552 | US9212153, 552)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(OCC(F)(F)F)cc3C22N=C(N)N(CCF)C2=O)CC1
Show InChI InChI=1S/C21H25F4N3O3/c1-30-14-4-6-19(7-5-14)11-13-2-3-15(31-12-20(23,24)25)10-16(13)21(19)17(29)28(9-8-22)18(26)27-21/h2-3,10,14H,4-9,11-12H2,1H3,(H2,26,27)/t14-,19-,21?
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n/an/a 25n/an/an/an/an/an/a



Vitae Pharmaceuticals, Inc.; Boehringer Ingelheim International GmbH

US Patent


Assay Description
For each compound being tested, the BACE activity was monitored in a fluorescence quenching assay (FRET) using the ectodomain of BACE (aa 1-454) fuse...


US Patent US8633212 (2014)

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


(Homo sapiens (Human))
BDBM113247
PNG
(US8633212, 25)
Show InChI InChI=1S/C24H26N4O2/c1-28-22(26)27-24(30-28)21-13-18(17-5-3-4-16(12-17)15-25)6-7-19(21)14-23(24)10-8-20(29-2)9-11-23/h3-7,12-13,20H,8-11,14H2,1-2H3,(H2,26,27)
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n/an/a 26.2n/an/an/an/an/an/a



Vitae Pharmaceuticals, Inc.; Boehringer Ingelheim International GmbH

US Patent


Assay Description
Inhibitory activity of compounds was assessed by a fluorescence quench assay of BACE activity. The assay was performed at room temperature in 96-well...


US Patent US8633212 (2014)

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


(Homo sapiens (Human))
BDBM113330
PNG
(US8633212, 498 | US9212153, 498)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(CCC(C)C)cc3C22N=C(N)N(C(C)C)C2=O)CC1
Show InChI InChI=1S/C25H37N3O2/c1-16(2)6-7-18-8-9-19-15-24(12-10-20(30-5)11-13-24)25(21(19)14-18)22(29)28(17(3)4)23(26)27-25/h8-9,14,16-17,20H,6-7,10-13,15H2,1-5H3,(H2,26,27)/t20-,24-,25?
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n/an/a 27.1n/an/an/an/an/an/a



Vitae Pharmaceuticals, Inc.; Boehringer Ingelheim International GmbH

US Patent


Assay Description
For each compound being tested, the BACE activity was monitored in a fluorescence quenching assay (FRET) using the ectodomain of BACE (aa 1-454) fuse...


US Patent US8633212 (2014)

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


(Homo sapiens (Human))
BDBM113325
PNG
(US8633212, 493 | US9212153, 493)
Show SMILES CCCCCc1ccc2C[C@@]3(CC[C@@H](CC3)OC)C3(ON(C)C(N)=N3)c2c1
Show InChI InChI=1S/C22H33N3O2/c1-4-5-6-7-16-8-9-17-15-21(12-10-18(26-3)11-13-21)22(19(17)14-16)24-20(23)25(2)27-22/h8-9,14,18H,4-7,10-13,15H2,1-3H3,(H2,23,24)/t18-,21-,22?
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n/an/a 29.8n/an/an/an/an/an/a



Vitae Pharmaceuticals, Inc.; Boehringer Ingelheim International GmbH

US Patent


Assay Description
For each compound being tested, the BACE activity was monitored in a fluorescence quenching assay (FRET) using the ectodomain of BACE (aa 1-454) fuse...


US Patent US8633212 (2014)

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


(Homo sapiens (Human))
BDBM113414
PNG
(US8633212, 604 | US9212153, 604)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(OCC4CCCO4)cc3C22N=C(N)N(CC(F)F)C2=O)CC1
Show InChI InChI=1S/C24H31F2N3O4/c1-31-16-6-8-23(9-7-16)12-15-4-5-17(33-14-18-3-2-10-32-18)11-19(15)24(23)21(30)29(13-20(25)26)22(27)28-24/h4-5,11,16,18,20H,2-3,6-10,12-14H2,1H3,(H2,27,28)/t16-,18?,23-,24?
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n/an/a 31n/an/an/an/an/an/a



Vitae Pharmaceuticals, Inc.; Boehringer Ingelheim International GmbH

US Patent


Assay Description
For each compound being tested, the BACE activity was monitored in a fluorescence quenching assay (FRET) using the ectodomain of BACE (aa 1-454) fuse...


US Patent US8633212 (2014)

More data for this
Ligand-Target Pair
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