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40 similar compounds to monomer 113279

Compile data set for download or QSAR
Wt: 365.4
BDBM113225
Wt: 468.9
BDBM113232
Wt: 443.9
BDBM113239
Wt: 378.4
BDBM113240
Wt: 478.4
BDBM113243
Wt: 434.5
BDBM113244
Wt: 379.4
BDBM113246
Wt: 416.5
BDBM113250
Wt: 456.4
BDBM113255
Wt: 388.4
BDBM113256
Wt: 416.5
BDBM113259
Wt: 477.5
BDBM113261
Wt: 406.4
BDBM113262
Wt: 398.5
BDBM113263
Wt: 438.4
BDBM113265
Displayed 1 to 15 (of 40 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 29 hits for monomerid = 113225,113232,113239,113240,113243,113244,113246,113250,113255,113256,113259,113261,113262,113263,113265   
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))
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 (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/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))
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/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))
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
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/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))
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))
BDBM113256
PNG
(US8633212, 34 | US9212153, 34)
Show SMILES CN1OC2(N=C1N)c1cc(ccc1CC21CCC(F)=CC1)-c1cccc(c1)C#N
Show InChI InChI=1S/C23H21FN4O/c1-28-21(26)27-23(29-28)20-12-17(16-4-2-3-15(11-16)14-25)5-6-18(20)13-22(23)9-7-19(24)8-10-22/h2-7,11-12H,8-10,13H2,1H3,(H2,26,27)
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n/an/a 93.3n/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))
BDBM113259
PNG
(US8633212, 37 | US9212153, 37)
Show SMILES COC1CCC2(Cc3ccc(cc3C22ON(C)C(N)=N2)-c2ccc3cc[nH]c3c2)CC1
Show InChI InChI=1S/C25H28N4O2/c1-29-23(26)28-25(31-29)21-13-17(18-4-3-16-9-12-27-22(16)14-18)5-6-19(21)15-24(25)10-7-20(30-2)8-11-24/h3-6,9,12-14,20,27H,7-8,10-11,15H2,1-2H3,(H2,26,28)
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n/an/a 126n/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))
BDBM113261
PNG
(US8633212, 39 | US9212153, 39)
Show SMILES CN1OC2(N=C1N)c1cc(ccc1CC21CCc2ccccc2CC1)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C28H26F3N3O/c1-34-25(32)33-27(35-34)24-16-21(20-7-4-8-23(15-20)28(29,30)31)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,(H2,32,33)
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n/an/a 158n/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))
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/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))
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))
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/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))
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/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))
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/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))
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/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))
BDBM113256
PNG
(US8633212, 34 | US9212153, 34)
Show SMILES CN1OC2(N=C1N)c1cc(ccc1CC21CCC(F)=CC1)-c1cccc(c1)C#N
Show InChI InChI=1S/C23H21FN4O/c1-28-21(26)27-23(29-28)20-12-17(16-4-2-3-15(11-16)14-25)5-6-18(20)13-22(23)9-7-19(24)8-10-22/h2-7,11-12H,8-10,13H2,1H3,(H2,26,27)
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n/an/a 93.3n/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))
BDBM113259
PNG
(US8633212, 37 | US9212153, 37)
Show SMILES COC1CCC2(Cc3ccc(cc3C22ON(C)C(N)=N2)-c2ccc3cc[nH]c3c2)CC1
Show InChI InChI=1S/C25H28N4O2/c1-29-23(26)28-25(31-29)21-13-17(18-4-3-16-9-12-27-22(16)14-18)5-6-19(21)15-24(25)10-7-20(30-2)8-11-24/h3-6,9,12-14,20,27H,7-8,10-11,15H2,1-2H3,(H2,26,28)
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n/an/a 126n/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))
BDBM113261
PNG
(US8633212, 39 | US9212153, 39)
Show SMILES CN1OC2(N=C1N)c1cc(ccc1CC21CCc2ccccc2CC1)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C28H26F3N3O/c1-34-25(32)33-27(35-34)24-16-21(20-7-4-8-23(15-20)28(29,30)31)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,(H2,32,33)
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n/an/a 158n/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 (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/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