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15 similar compounds to monomer 113256

Compile data set for download or QSAR
Wt: 468.9
BDBM113232
Wt: 434.5
BDBM113244
Wt: 416.5
BDBM113250
Wt: 456.4
BDBM113255
Wt: 406.4
BDBM113262
Wt: 398.5
BDBM113263
Wt: 438.4
BDBM113265
Wt: 408.4
BDBM113266
Wt: 420.5
BDBM113267
Wt: 434.5
BDBM113268
Wt: 432.5
BDBM113269
Wt: 358.4
BDBM113272
Wt: 418.4
BDBM113279
Wt: 420.5
BDBM113282
Wt: 416.5
BDBM113304

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 32 hits for monomerid = 113232,113244,113250,113255,113262,113263,113265,113266,113267,113268,113269,113272,113279,113282,113304   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Beta-secretase 1 (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/a4.525



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)


BindingDB Entry DOI: 10.7270/Q2V123D3
More data for this
Ligand-Target Pair
Beta-secretase 1 (1-458 aa)


(Homo sapiens (human))
BDBM113269
PNG
(US8633212, 47 | US8633212, 53 | US9212153, 53)
Show SMILES CN1OC2(N=C1N)c1cc(ccc1CC21CC(C=C1)c1ccccc1)-c1cccc(c1)C#N
Show InChI InChI=1S/C28H24N4O/c1-32-26(30)31-28(33-32)25-15-22(21-9-5-6-19(14-21)18-29)10-11-24(25)17-27(28)13-12-23(16-27)20-7-3-2-4-8-20/h2-15,23H,16-17H2,1H3,(H2,30,31)
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n/an/a 295n/an/an/an/a4.525



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 using commercially available substrate HiLyte Fluor 488...


US Patent US9212153 (2015)


BindingDB Entry DOI: 10.7270/Q2J67FRJ
More data for this
Ligand-Target Pair
Beta-secretase 1 (BACE)


(Homo sapiens (Human))
BDBM113250
PNG
(US8633212, 28 | US9212153, 28)
Show SMILES CCO[C@H]1CC[C@@]2(Cc3ccc(cc3C22ON(C)C(N)=N2)-c2cccc(c2)C#N)CC1
Show InChI InChI=1S/C25H28N4O2/c1-3-30-21-9-11-24(12-10-21)15-20-8-7-19(18-6-4-5-17(13-18)16-26)14-22(20)25(24)28-23(27)29(2)31-25/h4-8,13-14,21H,3,9-12,15H2,1-2H3,(H2,27,28)/t21-,24-,25?
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n/an/a 41.7n/an/an/an/a4.525



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)


BindingDB Entry DOI: 10.7270/Q2V123D3
More data for this
Ligand-Target Pair
Beta-secretase 1 (BACE)


(Homo sapiens (Human))
BDBM113255
PNG
(US8633212, 33 | US9212153, 33)
Show SMILES CN1OC2(N=C1N)c1cc(ccc1CC21CCc2cc(F)c(F)cc2C1)-c1cccc(c1)C#N
Show InChI InChI=1S/C27H22F2N4O/c1-33-25(31)32-27(34-33)22-10-18(17-4-2-3-16(9-17)15-30)5-6-20(22)13-26(27)8-7-19-11-23(28)24(29)12-21(19)14-26/h2-6,9-12H,7-8,13-14H2,1H3,(H2,31,32)
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n/an/a 89n/an/an/an/a4.525



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)


BindingDB Entry DOI: 10.7270/Q2V123D3
More data for this
Ligand-Target Pair
Beta-secretase 1 (BACE)


(Homo sapiens (Human))
BDBM113262
PNG
(US8633212, 40 | US9212153, 40)
Show SMILES CN1OC2(N=C1N)c1cc(ccc1CC21Cc2ccccc2C1)-c1cccc(c1)C#N
Show InChI InChI=1S/C26H22N4O/c1-30-24(28)29-26(31-30)23-12-19(18-8-4-5-17(11-18)16-27)9-10-22(23)15-25(26)13-20-6-2-3-7-21(20)14-25/h2-12H,13-15H2,1H3,(H2,28,29)
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n/an/a 160n/an/an/an/a4.525



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)


BindingDB Entry DOI: 10.7270/Q2V123D3
More data for this
Ligand-Target Pair
Beta-secretase 1 (BACE)


(Homo sapiens (Human))
BDBM113263
PNG
(US8633212, 41 | US9212153, 41)
Show SMILES CN1OC2(N=C1N)c1cc(ccc1CC21CCC(C)=C(C)C1)-c1cccc(c1)C#N
Show InChI InChI=1S/C25H26N4O/c1-16-9-10-24(13-17(16)2)14-21-8-7-20(19-6-4-5-18(11-19)15-26)12-22(21)25(24)28-23(27)29(3)30-25/h4-8,11-12H,9-10,13-14H2,1-3H3,(H2,27,28)
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n/an/a 161n/an/an/an/a4.525



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)


BindingDB Entry DOI: 10.7270/Q2V123D3
More data for this
Ligand-Target Pair
Beta-secretase 1 (BACE)


(Homo sapiens (Human))
BDBM113265
PNG
(US8633212, 43 | US9212153, 43)
Show SMILES CN1OC2(N=C1N)c1cc(ccc1CC21CCc2cc(F)ccc2C1)-c1cccc(c1)C#N
Show InChI InChI=1S/C27H23FN4O/c1-32-25(30)31-27(33-32)24-13-19(18-4-2-3-17(11-18)16-29)5-6-22(24)15-26(27)10-9-20-12-23(28)8-7-21(20)14-26/h2-8,11-13H,9-10,14-15H2,1H3,(H2,30,31)
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n/an/a 178n/an/an/an/a4.525



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)


BindingDB Entry DOI: 10.7270/Q2V123D3
More data for this
Ligand-Target Pair
Beta-secretase 1 (BACE)


(Homo sapiens (Human))
BDBM113266
PNG
(US8633212, 44 | US9212153, 44)
Show SMILES CN1OC2(N=C1N)c1cc(ccc1CC21CCC(F)(F)CC1)-c1cccc(c1)C#N
Show InChI InChI=1S/C23H22F2N4O/c1-29-20(27)28-23(30-29)19-12-17(16-4-2-3-15(11-16)14-26)5-6-18(19)13-21(23)7-9-22(24,25)10-8-21/h2-6,11-12H,7-10,13H2,1H3,(H2,27,28)
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n/an/a 189n/an/an/an/a4.525



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)


BindingDB Entry DOI: 10.7270/Q2V123D3
More data for this
Ligand-Target Pair
Beta-secretase 1 (BACE)


(Homo sapiens (Human))
BDBM113267
PNG
(US8633212, 45)
Show SMILES CN1OC2(N=C1N)c1cc(ccc1CC21CCc2ccccc2C1)-c1cccc(c1)C#N
Show InChI InChI=1S/C27H24N4O/c1-31-25(29)30-27(32-31)24-14-21(20-8-4-5-18(13-20)17-28)9-10-23(24)16-26(27)12-11-19-6-2-3-7-22(19)15-26/h2-10,13-14H,11-12,15-16H2,1H3,(H2,29,30)
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n/an/a 195n/an/an/an/a4.525



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)


BindingDB Entry DOI: 10.7270/Q2V123D3
More data for this
Ligand-Target Pair
Beta-secretase 1 (BACE)


(Homo sapiens (Human))
BDBM113268
PNG
(US8633212, 46)
Show SMILES CN1OC2(N=C1N)c1cc(ccc1CC21CCCc2ccccc2C1)-c1cccc(c1)C#N
Show InChI InChI=1S/C28H26N4O/c1-32-26(30)31-28(33-32)25-15-22(21-9-4-6-19(14-21)18-29)11-12-24(25)17-27(28)13-5-10-20-7-2-3-8-23(20)16-27/h2-4,6-9,11-12,14-15H,5,10,13,16-17H2,1H3,(H2,30,31)
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n/an/a 293n/an/an/an/a4.525



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)


BindingDB Entry DOI: 10.7270/Q2V123D3
More data for this
Ligand-Target Pair
Beta-secretase 1 (BACE)


(Homo sapiens (Human))
BDBM113269
PNG
(US8633212, 47 | US8633212, 53 | US9212153, 53)
Show SMILES CN1OC2(N=C1N)c1cc(ccc1CC21CC(C=C1)c1ccccc1)-c1cccc(c1)C#N
Show InChI InChI=1S/C28H24N4O/c1-32-26(30)31-28(33-32)25-15-22(21-9-5-6-19(14-21)18-29)10-11-24(25)17-27(28)13-12-23(16-27)20-7-3-2-4-8-20/h2-15,23H,16-17H2,1H3,(H2,30,31)
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n/an/a 295n/an/an/an/a4.525



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)


BindingDB Entry DOI: 10.7270/Q2V123D3
More data for this
Ligand-Target Pair
Beta-secretase 1 (BACE)


(Homo sapiens (Human))
BDBM113272
PNG
(US8633212, 50 | US9212153, 50)
Show SMILES CN1OC2(N=C1N)c1cc(ccc1CC21CCCC1)-c1cccc(c1)C#N
Show InChI InChI=1S/C22H22N4O/c1-26-20(24)25-22(27-26)19-12-17(16-6-4-5-15(11-16)14-23)7-8-18(19)13-21(22)9-2-3-10-21/h4-8,11-12H,2-3,9-10,13H2,1H3,(H2,24,25)
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n/an/a 443n/an/an/an/a4.525



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)


BindingDB Entry DOI: 10.7270/Q2V123D3
More data for this
Ligand-Target Pair
Beta-secretase 1 (BACE)


(Homo sapiens (Human))
BDBM113269
PNG
(US8633212, 47 | US8633212, 53 | US9212153, 53)
Show SMILES CN1OC2(N=C1N)c1cc(ccc1CC21CC(C=C1)c1ccccc1)-c1cccc(c1)C#N
Show InChI InChI=1S/C28H24N4O/c1-32-26(30)31-28(33-32)25-15-22(21-9-5-6-19(14-21)18-29)10-11-24(25)17-27(28)13-12-23(16-27)20-7-3-2-4-8-20/h2-15,23H,16-17H2,1H3,(H2,30,31)
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n/an/a 514n/an/an/an/a4.525



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)


BindingDB Entry DOI: 10.7270/Q2V123D3
More data for this
Ligand-Target Pair
Beta-secretase 1 (BACE)


(Homo sapiens (Human))
BDBM113279
PNG
(US8633212, 57 | US8633212, 62 | US9212153, 62)
Show SMILES CO[C@@H]1CC2(C[C@@H]1OC)Cc1ccc(cc1C21ON(C)C(N)=N1)-c1cccc(c1)C#N
Show InChI InChI=1S/C24H26N4O3/c1-28-22(26)27-24(31-28)19-10-17(16-6-4-5-15(9-16)14-25)7-8-18(19)11-23(24)12-20(29-2)21(13-23)30-3/h4-10,20-21H,11-13H2,1-3H3,(H2,26,27)/t20-,21+,23?,24?
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n/an/a 936n/an/an/an/a4.525



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)


BindingDB Entry DOI: 10.7270/Q2V123D3
More data for this
Ligand-Target Pair
Beta-secretase 1 (BACE)


(Homo sapiens (Human))
BDBM113282
PNG
(US8633212, 60 | US9212153, 60)
Show SMILES CN1O[C@]2(N=C1N)c1cc(ccc1C[C@]21CCc2ccccc2C1)-c1cccc(c1)C#N
Show InChI InChI=1S/C27H24N4O/c1-31-25(29)30-27(32-31)24-14-21(20-8-4-5-18(13-20)17-28)9-10-23(24)16-26(27)12-11-19-6-2-3-7-22(19)15-26/h2-10,13-14H,11-12,15-16H2,1H3,(H2,29,30)/t26-,27-/m1/s1
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n/an/a 1.86E+3n/an/an/an/a4.525



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)


BindingDB Entry DOI: 10.7270/Q2V123D3
More data for this
Ligand-Target Pair
Beta-secretase 1 (BACE)


(Homo sapiens (Human))
BDBM113279
PNG
(US8633212, 57 | US8633212, 62 | US9212153, 62)
Show SMILES CO[C@@H]1CC2(C[C@@H]1OC)Cc1ccc(cc1C21ON(C)C(N)=N1)-c1cccc(c1)C#N
Show InChI InChI=1S/C24H26N4O3/c1-28-22(26)27-24(31-28)19-10-17(16-6-4-5-15(9-16)14-25)7-8-18(19)11-23(24)12-20(29-2)21(13-23)30-3/h4-10,20-21H,11-13H2,1-3H3,(H2,26,27)/t20-,21+,23?,24?
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n/an/a 4.11E+3n/an/an/an/a4.525



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)


BindingDB Entry DOI: 10.7270/Q2V123D3
More data for this
Ligand-Target Pair
Beta-secretase 1 (BACE)


(Homo sapiens (Human))
BDBM113304
PNG
(US8633212, 82 | US9212153, 82)
Show SMILES CCOC1CCC2(Cc3ccc(cc3C22ON(C)C(N)=N2)-c2cccc(c2)C#N)CC1
Show InChI InChI=1S/C25H28N4O2/c1-3-30-21-9-11-24(12-10-21)15-20-8-7-19(18-6-4-5-17(13-18)16-26)14-22(20)25(24)28-23(27)29(2)31-25/h4-8,13-14,21H,3,9-12,15H2,1-2H3,(H2,27,28)
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n/an/a 432n/an/an/an/a4.525



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)


BindingDB Entry DOI: 10.7270/Q2V123D3
More data for this
Ligand-Target Pair
Beta-secretase 1 (1-458 aa)


(Homo sapiens (human))
BDBM113269
PNG
(US8633212, 47 | US8633212, 53 | US9212153, 53)
Show SMILES CN1OC2(N=C1N)c1cc(ccc1CC21CC(C=C1)c1ccccc1)-c1cccc(c1)C#N
Show InChI InChI=1S/C28H24N4O/c1-32-26(30)31-28(33-32)25-15-22(21-9-5-6-19(14-21)18-29)10-11-24(25)17-27(28)13-12-23(16-27)20-7-3-2-4-8-20/h2-15,23H,16-17H2,1H3,(H2,30,31)
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n/an/a 514n/an/an/an/a4.525



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 using commercially available substrate HiLyte Fluor 488...


US Patent US9212153 (2015)


BindingDB Entry DOI: 10.7270/Q2J67FRJ
More data for this
Ligand-Target Pair
Beta-secretase 1 (1-458 aa)


(Homo sapiens (human))
BDBM113279
PNG
(US8633212, 57 | US8633212, 62 | US9212153, 62)
Show SMILES CO[C@@H]1CC2(C[C@@H]1OC)Cc1ccc(cc1C21ON(C)C(N)=N1)-c1cccc(c1)C#N
Show InChI InChI=1S/C24H26N4O3/c1-28-22(26)27-24(31-28)19-10-17(16-6-4-5-15(9-16)14-25)7-8-18(19)11-23(24)12-20(29-2)21(13-23)30-3/h4-10,20-21H,11-13H2,1-3H3,(H2,26,27)/t20-,21+,23?,24?
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n/an/a 936n/an/an/an/a4.525



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 using commercially available substrate HiLyte Fluor 488...


US Patent US9212153 (2015)


BindingDB Entry DOI: 10.7270/Q2J67FRJ
More data for this
Ligand-Target Pair
Beta-secretase 1 (1-458 aa)


(Homo sapiens (human))
BDBM113282
PNG
(US8633212, 60 | US9212153, 60)
Show SMILES CN1O[C@]2(N=C1N)c1cc(ccc1C[C@]21CCc2ccccc2C1)-c1cccc(c1)C#N
Show InChI InChI=1S/C27H24N4O/c1-31-25(29)30-27(32-31)24-14-21(20-8-4-5-18(13-20)17-28)9-10-23(24)16-26(27)12-11-19-6-2-3-7-22(19)15-26/h2-10,13-14H,11-12,15-16H2,1H3,(H2,29,30)/t26-,27-/m1/s1
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n/an/a 1.86E+3n/an/an/an/a4.525



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 using commercially available substrate HiLyte Fluor 488...


US Patent US9212153 (2015)


BindingDB Entry DOI: 10.7270/Q2J67FRJ
More data for this
Ligand-Target Pair
Beta-secretase 1 (1-458 aa)


(Homo sapiens (human))
BDBM113279
PNG
(US8633212, 57 | US8633212, 62 | US9212153, 62)
Show SMILES CO[C@@H]1CC2(C[C@@H]1OC)Cc1ccc(cc1C21ON(C)C(N)=N1)-c1cccc(c1)C#N
Show InChI InChI=1S/C24H26N4O3/c1-28-22(26)27-24(31-28)19-10-17(16-6-4-5-15(9-16)14-25)7-8-18(19)11-23(24)12-20(29-2)21(13-23)30-3/h4-10,20-21H,11-13H2,1-3H3,(H2,26,27)/t20-,21+,23?,24?
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n/an/a 4.11E+3n/an/an/an/a4.525



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 using commercially available substrate HiLyte Fluor 488...


US Patent US9212153 (2015)


BindingDB Entry DOI: 10.7270/Q2J67FRJ
More data for this
Ligand-Target Pair
Beta-secretase 1 (1-458 aa)


(Homo sapiens (human))
BDBM113304
PNG
(US8633212, 82 | US9212153, 82)
Show SMILES CCOC1CCC2(Cc3ccc(cc3C22ON(C)C(N)=N2)-c2cccc(c2)C#N)CC1
Show InChI InChI=1S/C25H28N4O2/c1-3-30-21-9-11-24(12-10-21)15-20-8-7-19(18-6-4-5-17(13-18)16-26)14-22(20)25(24)28-23(27)29(2)31-25/h4-8,13-14,21H,3,9-12,15H2,1-2H3,(H2,27,28)
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n/an/a 432n/an/an/an/a4.525



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 using commercially available substrate HiLyte Fluor 488...


US Patent US9212153 (2015)


BindingDB Entry DOI: 10.7270/Q2J67FRJ
More data for this
Ligand-Target Pair
Beta-secretase 1 (1-458 aa)


(Homo sapiens (human))
BDBM113272
PNG
(US8633212, 50 | US9212153, 50)
Show SMILES CN1OC2(N=C1N)c1cc(ccc1CC21CCCC1)-c1cccc(c1)C#N
Show InChI InChI=1S/C22H22N4O/c1-26-20(24)25-22(27-26)19-12-17(16-6-4-5-15(11-16)14-23)7-8-18(19)13-21(22)9-2-3-10-21/h4-8,11-12H,2-3,9-10,13H2,1H3,(H2,24,25)
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n/an/a 443n/an/an/an/a4.525



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 using commercially available substrate HiLyte Fluor 488...


US Patent US9212153 (2015)


BindingDB Entry DOI: 10.7270/Q2J67FRJ
More data for this
Ligand-Target Pair
Beta-secretase 1 (1-458 aa)


(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/a4.525



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 using commercially available substrate HiLyte Fluor 488...


US Patent US9212153 (2015)


BindingDB Entry DOI: 10.7270/Q2J67FRJ
More data for this
Ligand-Target Pair
Beta-secretase 1 (1-458 aa)


(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/a4.525



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 using commercially available substrate HiLyte Fluor 488...


US Patent US9212153 (2015)


BindingDB Entry DOI: 10.7270/Q2J67FRJ
More data for this
Ligand-Target Pair
Beta-secretase 1 (1-458 aa)


(Homo sapiens (human))
BDBM113250
PNG
(US8633212, 28 | US9212153, 28)
Show SMILES CCO[C@H]1CC[C@@]2(Cc3ccc(cc3C22ON(C)C(N)=N2)-c2cccc(c2)C#N)CC1
Show InChI InChI=1S/C25H28N4O2/c1-3-30-21-9-11-24(12-10-21)15-20-8-7-19(18-6-4-5-17(13-18)16-26)14-22(20)25(24)28-23(27)29(2)31-25/h4-8,13-14,21H,3,9-12,15H2,1-2H3,(H2,27,28)/t21-,24-,25?
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n/an/a 41.7n/an/an/an/a4.525



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 using commercially available substrate HiLyte Fluor 488...


US Patent US9212153 (2015)


BindingDB Entry DOI: 10.7270/Q2J67FRJ
More data for this
Ligand-Target Pair
Beta-secretase 1 (1-458 aa)


(Homo sapiens (human))
BDBM113255
PNG
(US8633212, 33 | US9212153, 33)
Show SMILES CN1OC2(N=C1N)c1cc(ccc1CC21CCc2cc(F)c(F)cc2C1)-c1cccc(c1)C#N
Show InChI InChI=1S/C27H22F2N4O/c1-33-25(31)32-27(34-33)22-10-18(17-4-2-3-16(9-17)15-30)5-6-20(22)13-26(27)8-7-19-11-23(28)24(29)12-21(19)14-26/h2-6,9-12H,7-8,13-14H2,1H3,(H2,31,32)
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n/an/a 89n/an/an/an/a4.525



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 using commercially available substrate HiLyte Fluor 488...


US Patent US9212153 (2015)


BindingDB Entry DOI: 10.7270/Q2J67FRJ
More data for this
Ligand-Target Pair
Beta-secretase 1 (1-458 aa)


(Homo sapiens (human))
BDBM113262
PNG
(US8633212, 40 | US9212153, 40)
Show SMILES CN1OC2(N=C1N)c1cc(ccc1CC21Cc2ccccc2C1)-c1cccc(c1)C#N
Show InChI InChI=1S/C26H22N4O/c1-30-24(28)29-26(31-30)23-12-19(18-8-4-5-17(11-18)16-27)9-10-22(23)15-25(26)13-20-6-2-3-7-21(20)14-25/h2-12H,13-15H2,1H3,(H2,28,29)
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n/an/a 160n/an/an/an/a4.525



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 using commercially available substrate HiLyte Fluor 488...


US Patent US9212153 (2015)


BindingDB Entry DOI: 10.7270/Q2J67FRJ
More data for this
Ligand-Target Pair
Beta-secretase 1 (1-458 aa)


(Homo sapiens (human))
BDBM113263
PNG
(US8633212, 41 | US9212153, 41)
Show SMILES CN1OC2(N=C1N)c1cc(ccc1CC21CCC(C)=C(C)C1)-c1cccc(c1)C#N
Show InChI InChI=1S/C25H26N4O/c1-16-9-10-24(13-17(16)2)14-21-8-7-20(19-6-4-5-18(11-19)15-26)12-22(21)25(24)28-23(27)29(3)30-25/h4-8,11-12H,9-10,13-14H2,1-3H3,(H2,27,28)
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n/an/a 161n/an/an/an/a4.525



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 using commercially available substrate HiLyte Fluor 488...


US Patent US9212153 (2015)


BindingDB Entry DOI: 10.7270/Q2J67FRJ
More data for this
Ligand-Target Pair
Beta-secretase 1 (1-458 aa)


(Homo sapiens (human))
BDBM113265
PNG
(US8633212, 43 | US9212153, 43)
Show SMILES CN1OC2(N=C1N)c1cc(ccc1CC21CCc2cc(F)ccc2C1)-c1cccc(c1)C#N
Show InChI InChI=1S/C27H23FN4O/c1-32-25(30)31-27(33-32)24-13-19(18-4-2-3-17(11-18)16-29)5-6-22(24)15-26(27)10-9-20-12-23(28)8-7-21(20)14-26/h2-8,11-13H,9-10,14-15H2,1H3,(H2,30,31)
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n/an/a 178n/an/an/an/a4.525



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 using commercially available substrate HiLyte Fluor 488...


US Patent US9212153 (2015)


BindingDB Entry DOI: 10.7270/Q2J67FRJ
More data for this
Ligand-Target Pair
Beta-secretase 1 (1-458 aa)


(Homo sapiens (human))
BDBM113266
PNG
(US8633212, 44 | US9212153, 44)
Show SMILES CN1OC2(N=C1N)c1cc(ccc1CC21CCC(F)(F)CC1)-c1cccc(c1)C#N
Show InChI InChI=1S/C23H22F2N4O/c1-29-20(27)28-23(30-29)19-12-17(16-4-2-3-15(11-16)14-26)5-6-18(19)13-21(23)7-9-22(24,25)10-8-21/h2-6,11-12H,7-10,13H2,1H3,(H2,27,28)
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n/an/a 189n/an/an/an/a4.525



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 using commercially available substrate HiLyte Fluor 488...


US Patent US9212153 (2015)


BindingDB Entry DOI: 10.7270/Q2J67FRJ
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/a4.525



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)


BindingDB Entry DOI: 10.7270/Q2V123D3
More data for this
Ligand-Target Pair