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17 similar compounds to monomer 113237

Compile data set for download or QSAR
Wt: 468.9
BDBM113232
Wt: 443.9
BDBM113239
Wt: 478.4
BDBM113243
Wt: 434.5
BDBM113244
Wt: 461.9
BDBM113245
Wt: 473.9
BDBM113249
Wt: 367.8
BDBM113252
Wt: 456.4
BDBM113255
Wt: 477.5
BDBM113261
Wt: 438.4
BDBM113265
Wt: 420.5
BDBM113267
Wt: 434.5
BDBM113268
Wt: 456.4
BDBM113270
Wt: 358.4
BDBM113272
Wt: 438.4
BDBM113276
Displayed 1 to 15 (of 17 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 27 hits for monomerid = 113232,113239,113243,113244,113245,113249,113252,113255,113261,113265,113267,113268,113270,113272,113276   
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))
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))
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/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))
BDBM113249
PNG
(US8633212, 27 | US9212153, 27)
Show SMILES COc1cc(Cl)cc(c1)-c1ccc2CC3(CCc4ccccc4CC3)C3(ON(C)C(N)=N3)c2c1
Show InChI InChI=1S/C28H28ClN3O2/c1-32-26(30)31-28(34-32)25-15-20(22-13-23(29)16-24(14-22)33-2)7-8-21(25)17-27(28)11-9-18-5-3-4-6-19(18)10-12-27/h3-8,13-16H,9-12,17H2,1-2H3,(H2,30,31)
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n/an/a 38.3n/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))
BDBM113252
PNG
(US8633212, 30 | US9212153, 30)
Show SMILES CN1OC2(N=C1N)c1cc(Cl)ccc1CC21CCc2ccccc2CC1
Show InChI InChI=1S/C21H22ClN3O/c1-25-19(23)24-21(26-25)18-12-17(22)7-6-16(18)13-20(21)10-8-14-4-2-3-5-15(14)9-11-20/h2-7,12H,8-11,13H2,1H3,(H2,23,24)
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n/an/a 61.6n/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))
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))
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))
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))
BDBM113270
PNG
(US8633212, 48 | US9212153, 48)
Show SMILES CN1OC2(N=C1N)c1cc(ccc1CC21CCc2c(C1)ccc(F)c2F)-c1cccc(c1)C#N
Show InChI InChI=1S/C27H22F2N4O/c1-33-25(31)32-27(34-33)22-12-18(17-4-2-3-16(11-17)15-30)5-6-20(22)14-26(27)10-9-21-19(13-26)7-8-23(28)24(21)29/h2-8,11-12H,9-10,13-14H2,1H3,(H2,31,32)
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n/an/a 378n/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))
BDBM113276
PNG
(US8633212, 54)
Show SMILES CN1OC2(N=C1N)c1cc(ccc1CC21CCc2c(F)cccc2C1)-c1cccc(c1)C#N
Show InChI InChI=1S/C27H23FN4O/c1-32-25(30)31-27(33-32)23-13-19(18-5-2-4-17(12-18)16-29)8-9-21(23)15-26(27)11-10-22-20(14-26)6-3-7-24(22)28/h2-9,12-13H,10-11,14-15H2,1H3,(H2,30,31)
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n/an/a 618n/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))
BDBM113270
PNG
(US8633212, 48 | US9212153, 48)
Show SMILES CN1OC2(N=C1N)c1cc(ccc1CC21CCc2c(C1)ccc(F)c2F)-c1cccc(c1)C#N
Show InChI InChI=1S/C27H22F2N4O/c1-33-25(31)32-27(34-33)22-12-18(17-4-2-3-16(11-17)15-30)5-6-20(22)14-26(27)10-9-21-19(13-26)7-8-23(28)24(21)29/h2-8,11-12H,9-10,13-14H2,1H3,(H2,31,32)
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n/an/a 378n/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))
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))
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))
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/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))
BDBM113249
PNG
(US8633212, 27 | US9212153, 27)
Show SMILES COc1cc(Cl)cc(c1)-c1ccc2CC3(CCc4ccccc4CC3)C3(ON(C)C(N)=N3)c2c1
Show InChI InChI=1S/C28H28ClN3O2/c1-32-26(30)31-28(34-32)25-15-20(22-13-23(29)16-24(14-22)33-2)7-8-21(25)17-27(28)11-9-18-5-3-4-6-19(18)10-12-27/h3-8,13-16H,9-12,17H2,1-2H3,(H2,30,31)
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n/an/a 38.3n/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))
BDBM113252
PNG
(US8633212, 30 | US9212153, 30)
Show SMILES CN1OC2(N=C1N)c1cc(Cl)ccc1CC21CCc2ccccc2CC1
Show InChI InChI=1S/C21H22ClN3O/c1-25-19(23)24-21(26-25)18-12-17(22)7-6-16(18)13-20(21)10-8-14-4-2-3-5-15(14)9-11-20/h2-7,12H,8-11,13H2,1H3,(H2,23,24)
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n/an/a 61.6n/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))
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 (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