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Compile Data Set for Download or QSAR

Found 149 hits with Last Name = 'hughes' and Initial = 'or'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Ataxin-2


(Homo sapiens (Human))
BDBM323247
PNG
(3,5-Dichlorobenzyl 4-(4-(2-oxo-2,3-dihydrothiazol-...)
Show SMILES Clc1cc(Cl)cc(COC(=O)N2CCC(CC2)NC(=O)CCCc2c[nH]c(=O)s2)c1
Show InChI InChI=1S/C20H23Cl2N3O4S/c21-14-8-13(9-15(22)10-14)12-29-20(28)25-6-4-16(5-7-25)24-18(26)3-1-2-17-11-23-19(27)30-17/h8-11,16H,1-7,12H2,(H,23,27)(H,24,26)
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Novartis AG

US Patent


Assay Description
ATX activity was determined by measurement of released choline in reactions containing ATX (10 nM), choline oxidase (0.1 U/ml), HRP (100 U/ml), ample...


US Patent US9630945 (2017)


BindingDB Entry DOI: 10.7270/Q25Q4Z5R
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM241106
PNG
(US9409895, 17 | US9630945, 17)
Show SMILES Clc1cc(Cl)cc(COC(=O)N2CCC(CC2)NC(=O)CCCc2c[nH]nn2)c1
Show InChI InChI=1S/C19H23Cl2N5O3/c20-14-8-13(9-15(21)10-14)12-29-19(28)26-6-4-16(5-7-26)23-18(27)3-1-2-17-11-22-25-24-17/h8-11,16H,1-7,12H2,(H,23,27)(H,22,24,25)
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Assay Description
ATX activity was determined by measurement of released choline in reactions containing ATX (10 nM), choline oxidase (0.1 U/ml), HRP (100 U/ml), ample...


US Patent US9409895 (2016)


BindingDB Entry DOI: 10.7270/Q2GT5M2G
More data for this
Ligand-Target Pair
Ataxin-2


(Homo sapiens (Human))
BDBM241106
PNG
(US9409895, 17 | US9630945, 17)
Show SMILES Clc1cc(Cl)cc(COC(=O)N2CCC(CC2)NC(=O)CCCc2c[nH]nn2)c1
Show InChI InChI=1S/C19H23Cl2N5O3/c20-14-8-13(9-15(21)10-14)12-29-19(28)26-6-4-16(5-7-26)23-18(27)3-1-2-17-11-22-25-24-17/h8-11,16H,1-7,12H2,(H,23,27)(H,22,24,25)
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Assay Description
ATX activity was determined by measurement of released choline in reactions containing ATX (10 nM), choline oxidase (0.1 U/ml), HRP (100 U/ml), ample...


US Patent US9630945 (2017)


BindingDB Entry DOI: 10.7270/Q25Q4Z5R
More data for this
Ligand-Target Pair
Ataxin-2


(Homo sapiens (Human))
BDBM241108
PNG
(US9409895, 19 | US9630945, 19)
Show SMILES Clc1cc(Cl)cc(COC(=O)N2CCC(CC2)NC(=O)CCc2c[nH]nn2)c1
Show InChI InChI=1S/C18H21Cl2N5O3/c19-13-7-12(8-14(20)9-13)11-28-18(27)25-5-3-15(4-6-25)22-17(26)2-1-16-10-21-24-23-16/h7-10,15H,1-6,11H2,(H,22,26)(H,21,23,24)
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Assay Description
ATX activity was determined by measurement of released choline in reactions containing ATX (10 nM), choline oxidase (0.1 U/ml), HRP (100 U/ml), ample...


US Patent US9630945 (2017)


BindingDB Entry DOI: 10.7270/Q25Q4Z5R
More data for this
Ligand-Target Pair
Ataxin-2


(Homo sapiens (Human))
BDBM241153
PNG
(US9409895, 63 | US9630945, 63)
Show SMILES FC(F)(F)c1cc(Br)cc(COC(=O)N2CCC(CC2)NC(=O)CCCc2c[nH]nn2)c1
Show InChI InChI=1S/C20H23BrF3N5O3/c21-15-9-13(8-14(10-15)20(22,23)24)12-32-19(31)29-6-4-16(5-7-29)26-18(30)3-1-2-17-11-25-28-27-17/h8-11,16H,1-7,12H2,(H,26,30)(H,25,27,28)
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US Patent


Assay Description
ATX activity was determined by measurement of released choline in reactions containing ATX (10 nM), choline oxidase (0.1 U/ml), HRP (100 U/ml), ample...


US Patent US9630945 (2017)


BindingDB Entry DOI: 10.7270/Q25Q4Z5R
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM241108
PNG
(US9409895, 19 | US9630945, 19)
Show SMILES Clc1cc(Cl)cc(COC(=O)N2CCC(CC2)NC(=O)CCc2c[nH]nn2)c1
Show InChI InChI=1S/C18H21Cl2N5O3/c19-13-7-12(8-14(20)9-13)11-28-18(27)25-5-3-15(4-6-25)22-17(26)2-1-16-10-21-24-23-16/h7-10,15H,1-6,11H2,(H,22,26)(H,21,23,24)
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Assay Description
ATX activity was determined by measurement of released choline in reactions containing ATX (10 nM), choline oxidase (0.1 U/ml), HRP (100 U/ml), ample...


US Patent US9409895 (2016)


BindingDB Entry DOI: 10.7270/Q2GT5M2G
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM241153
PNG
(US9409895, 63 | US9630945, 63)
Show SMILES FC(F)(F)c1cc(Br)cc(COC(=O)N2CCC(CC2)NC(=O)CCCc2c[nH]nn2)c1
Show InChI InChI=1S/C20H23BrF3N5O3/c21-15-9-13(8-14(10-15)20(22,23)24)12-32-19(31)29-6-4-16(5-7-29)26-18(30)3-1-2-17-11-25-28-27-17/h8-11,16H,1-7,12H2,(H,26,30)(H,25,27,28)
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Assay Description
ATX activity was determined by measurement of released choline in reactions containing ATX (10 nM), choline oxidase (0.1 U/ml), HRP (100 U/ml), ample...


US Patent US9409895 (2016)


BindingDB Entry DOI: 10.7270/Q2GT5M2G
More data for this
Ligand-Target Pair
Ataxin-2


(Homo sapiens (Human))
BDBM241109
PNG
(US9409895, 20 | US9630945, 20)
Show SMILES Clc1cc(Cl)cc(COC(=O)N2CCC(CC2)NC(=O)CCCCc2c[nH]nn2)c1
Show InChI InChI=1S/C20H25Cl2N5O3/c21-15-9-14(10-16(22)11-15)13-30-20(29)27-7-5-17(6-8-27)24-19(28)4-2-1-3-18-12-23-26-25-18/h9-12,17H,1-8,13H2,(H,24,28)(H,23,25,26)
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Assay Description
ATX activity was determined by measurement of released choline in reactions containing ATX (10 nM), choline oxidase (0.1 U/ml), HRP (100 U/ml), ample...


US Patent US9630945 (2017)


BindingDB Entry DOI: 10.7270/Q25Q4Z5R
More data for this
Ligand-Target Pair
Ataxin-2


(Homo sapiens (Human))
BDBM241156
PNG
(US9409895, 66 | US9630945, 66)
Show SMILES FC(F)(F)c1cc(COC(=O)N2CCC(CC2)NC(=O)CCCc2c[nH]nn2)cc(c1)C#N
Show InChI InChI=1S/C21H23F3N6O3/c22-21(23,24)16-9-14(11-25)8-15(10-16)13-33-20(32)30-6-4-17(5-7-30)27-19(31)3-1-2-18-12-26-29-28-18/h8-10,12,17H,1-7,13H2,(H,27,31)(H,26,28,29)
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Assay Description
ATX activity was determined by measurement of released choline in reactions containing ATX (10 nM), choline oxidase (0.1 U/ml), HRP (100 U/ml), ample...


US Patent US9630945 (2017)


BindingDB Entry DOI: 10.7270/Q25Q4Z5R
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM241109
PNG
(US9409895, 20 | US9630945, 20)
Show SMILES Clc1cc(Cl)cc(COC(=O)N2CCC(CC2)NC(=O)CCCCc2c[nH]nn2)c1
Show InChI InChI=1S/C20H25Cl2N5O3/c21-15-9-14(10-16(22)11-15)13-30-20(29)27-7-5-17(6-8-27)24-19(28)4-2-1-3-18-12-23-26-25-18/h9-12,17H,1-8,13H2,(H,24,28)(H,23,25,26)
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Assay Description
ATX activity was determined by measurement of released choline in reactions containing ATX (10 nM), choline oxidase (0.1 U/ml), HRP (100 U/ml), ample...


US Patent US9409895 (2016)


BindingDB Entry DOI: 10.7270/Q2GT5M2G
More data for this
Ligand-Target Pair
Ataxin-2


(Homo sapiens (Human))
BDBM241157
PNG
(US9409895, 67 | US9630945, 67)
Show SMILES Clc1cc(Cl)cc(COC(=O)N2CCC(CC2)NC(=O)CCCCCc2c[nH]nn2)c1
Show InChI InChI=1S/C21H27Cl2N5O3/c22-16-10-15(11-17(23)12-16)14-31-21(30)28-8-6-18(7-9-28)25-20(29)5-3-1-2-4-19-13-24-27-26-19/h10-13,18H,1-9,14H2,(H,25,29)(H,24,26,27)
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Assay Description
ATX activity was determined by measurement of released choline in reactions containing ATX (10 nM), choline oxidase (0.1 U/ml), HRP (100 U/ml), ample...


US Patent US9630945 (2017)


BindingDB Entry DOI: 10.7270/Q25Q4Z5R
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM241156
PNG
(US9409895, 66 | US9630945, 66)
Show SMILES FC(F)(F)c1cc(COC(=O)N2CCC(CC2)NC(=O)CCCc2c[nH]nn2)cc(c1)C#N
Show InChI InChI=1S/C21H23F3N6O3/c22-21(23,24)16-9-14(11-25)8-15(10-16)13-33-20(32)30-6-4-17(5-7-30)27-19(31)3-1-2-18-12-26-29-28-18/h8-10,12,17H,1-7,13H2,(H,27,31)(H,26,28,29)
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Assay Description
ATX activity was determined by measurement of released choline in reactions containing ATX (10 nM), choline oxidase (0.1 U/ml), HRP (100 U/ml), ample...


US Patent US9409895 (2016)


BindingDB Entry DOI: 10.7270/Q2GT5M2G
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM241157
PNG
(US9409895, 67 | US9630945, 67)
Show SMILES Clc1cc(Cl)cc(COC(=O)N2CCC(CC2)NC(=O)CCCCCc2c[nH]nn2)c1
Show InChI InChI=1S/C21H27Cl2N5O3/c22-16-10-15(11-17(23)12-16)14-31-21(30)28-8-6-18(7-9-28)25-20(29)5-3-1-2-4-19-13-24-27-26-19/h10-13,18H,1-9,14H2,(H,25,29)(H,24,26,27)
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Assay Description
ATX activity was determined by measurement of released choline in reactions containing ATX (10 nM), choline oxidase (0.1 U/ml), HRP (100 U/ml), ample...


US Patent US9409895 (2016)


BindingDB Entry DOI: 10.7270/Q2GT5M2G
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM241152
PNG
(US9409895, 62 | US9630945, 62)
Show SMILES Cc1cc(COC(=O)N2CCC(CC2)NC(=O)CCCc2c[nH]nn2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C21H26F3N5O3/c1-14-9-15(11-16(10-14)21(22,23)24)13-32-20(31)29-7-5-17(6-8-29)26-19(30)4-2-3-18-12-25-28-27-18/h9-12,17H,2-8,13H2,1H3,(H,26,30)(H,25,27,28)
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Assay Description
ATX activity was determined by measurement of released choline in reactions containing ATX (10 nM), choline oxidase (0.1 U/ml), HRP (100 U/ml), ample...


US Patent US9409895 (2016)


BindingDB Entry DOI: 10.7270/Q2GT5M2G
More data for this
Ligand-Target Pair
Ataxin-2


(Homo sapiens (Human))
BDBM323244
PNG
(3-Cyano-5-(trifluoromethoxy)benzyl 4-(4-(1H-1,2,3-...)
Show SMILES FC(F)(F)Oc1cc(COC(=O)N2CCC(CC2)NC(=O)CCCc2c[nH]nn2)cc(c1)C#N
Show InChI InChI=1S/C21H23F3N6O4/c22-21(23,24)34-18-9-14(11-25)8-15(10-18)13-33-20(32)30-6-4-16(5-7-30)27-19(31)3-1-2-17-12-26-29-28-17/h8-10,12,16H,1-7,13H2,(H,27,31)(H,26,28,29)
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Assay Description
ATX activity was determined by measurement of released choline in reactions containing ATX (10 nM), choline oxidase (0.1 U/ml), HRP (100 U/ml), ample...


US Patent US9630945 (2017)


BindingDB Entry DOI: 10.7270/Q25Q4Z5R
More data for this
Ligand-Target Pair
Ataxin-2


(Homo sapiens (Human))
BDBM241152
PNG
(US9409895, 62 | US9630945, 62)
Show SMILES Cc1cc(COC(=O)N2CCC(CC2)NC(=O)CCCc2c[nH]nn2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C21H26F3N5O3/c1-14-9-15(11-16(10-14)21(22,23)24)13-32-20(31)29-7-5-17(6-8-29)26-19(30)4-2-3-18-12-25-28-27-18/h9-12,17H,2-8,13H2,1H3,(H,26,30)(H,25,27,28)
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US Patent


Assay Description
ATX activity was determined by measurement of released choline in reactions containing ATX (10 nM), choline oxidase (0.1 U/ml), HRP (100 U/ml), ample...


US Patent US9630945 (2017)


BindingDB Entry DOI: 10.7270/Q25Q4Z5R
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM241141
PNG
(US9409895, 51 | US9630945, 51)
Show SMILES Cc1cc(C)cc(COC(=O)N2CCC(CC2)NC(=O)CCCc2c[nH]nn2)c1
Show InChI InChI=1S/C21H29N5O3/c1-15-10-16(2)12-17(11-15)14-29-21(28)26-8-6-18(7-9-26)23-20(27)5-3-4-19-13-22-25-24-19/h10-13,18H,3-9,14H2,1-2H3,(H,23,27)(H,22,24,25)
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Assay Description
ATX activity was determined by measurement of released choline in reactions containing ATX (10 nM), choline oxidase (0.1 U/ml), HRP (100 U/ml), ample...


US Patent US9409895 (2016)


BindingDB Entry DOI: 10.7270/Q2GT5M2G
More data for this
Ligand-Target Pair
Ataxin-2


(Homo sapiens (Human))
BDBM241141
PNG
(US9409895, 51 | US9630945, 51)
Show SMILES Cc1cc(C)cc(COC(=O)N2CCC(CC2)NC(=O)CCCc2c[nH]nn2)c1
Show InChI InChI=1S/C21H29N5O3/c1-15-10-16(2)12-17(11-15)14-29-21(28)26-8-6-18(7-9-26)23-20(27)5-3-4-19-13-22-25-24-19/h10-13,18H,3-9,14H2,1-2H3,(H,23,27)(H,22,24,25)
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Assay Description
ATX activity was determined by measurement of released choline in reactions containing ATX (10 nM), choline oxidase (0.1 U/ml), HRP (100 U/ml), ample...


US Patent US9630945 (2017)


BindingDB Entry DOI: 10.7270/Q25Q4Z5R
More data for this
Ligand-Target Pair
Ataxin-2


(Homo sapiens (Human))
BDBM323246
PNG
(3,4-Dichloro-5-cyanobenzyl 4-(4-(1H-1,2,3-triazol-...)
Show SMILES Clc1cc(COC(=O)N2CCC(CC2)NC(=O)CCCc2c[nH]nn2)cc(C#N)c1Cl
Show InChI InChI=1S/C20H22Cl2N6O3/c21-17-9-13(8-14(10-23)19(17)22)12-31-20(30)28-6-4-15(5-7-28)25-18(29)3-1-2-16-11-24-27-26-16/h8-9,11,15H,1-7,12H2,(H,25,29)(H,24,26,27)
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US Patent


Assay Description
ATX activity was determined by measurement of released choline in reactions containing ATX (10 nM), choline oxidase (0.1 U/ml), HRP (100 U/ml), ample...


US Patent US9630945 (2017)


BindingDB Entry DOI: 10.7270/Q25Q4Z5R
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM241150
PNG
(US9409895, 60 | US9630945, 60)
Show SMILES Clc1cc(Cl)cc(COC(=O)N2CCC(CCC(=O)NCc3c[nH]nn3)CC2)c1
Show InChI InChI=1S/C19H23Cl2N5O3/c20-15-7-14(8-16(21)9-15)12-29-19(28)26-5-3-13(4-6-26)1-2-18(27)22-10-17-11-23-25-24-17/h7-9,11,13H,1-6,10,12H2,(H,22,27)(H,23,24,25)
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Assay Description
ATX activity was determined by measurement of released choline in reactions containing ATX (10 nM), choline oxidase (0.1 U/ml), HRP (100 U/ml), ample...


US Patent US9409895 (2016)


BindingDB Entry DOI: 10.7270/Q2GT5M2G
More data for this
Ligand-Target Pair
Ataxin-2


(Homo sapiens (Human))
BDBM241150
PNG
(US9409895, 60 | US9630945, 60)
Show SMILES Clc1cc(Cl)cc(COC(=O)N2CCC(CCC(=O)NCc3c[nH]nn3)CC2)c1
Show InChI InChI=1S/C19H23Cl2N5O3/c20-15-7-14(8-16(21)9-15)12-29-19(28)26-5-3-13(4-6-26)1-2-18(27)22-10-17-11-23-25-24-17/h7-9,11,13H,1-6,10,12H2,(H,22,27)(H,23,24,25)
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n/an/a 7n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
ATX activity was determined by measurement of released choline in reactions containing ATX (10 nM), choline oxidase (0.1 U/ml), HRP (100 U/ml), ample...


US Patent US9630945 (2017)


BindingDB Entry DOI: 10.7270/Q25Q4Z5R
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM241133
PNG
(US9409895, 44 | US9630945, 44)
Show SMILES Clc1cc(COC(=O)N2CCC(CC2)NC(=O)CCCc2c[nH]nn2)cc(c1)C#N
Show InChI InChI=1S/C20H23ClN6O3/c21-16-9-14(11-22)8-15(10-16)13-30-20(29)27-6-4-17(5-7-27)24-19(28)3-1-2-18-12-23-26-25-18/h8-10,12,17H,1-7,13H2,(H,24,28)(H,23,25,26)
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Novartis AG

US Patent


Assay Description
ATX activity was determined by measurement of released choline in reactions containing ATX (10 nM), choline oxidase (0.1 U/ml), HRP (100 U/ml), ample...


US Patent US9409895 (2016)


BindingDB Entry DOI: 10.7270/Q2GT5M2G
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM241154
PNG
(US9409895, 64 | US9630945, 64)
Show SMILES Clc1cc(COC(=O)N2CCC(CC2)NC(=O)CCCCc2c[nH]nn2)cc(c1)C#N
Show InChI InChI=1S/C21H25ClN6O3/c22-17-10-15(12-23)9-16(11-17)14-31-21(30)28-7-5-18(6-8-28)25-20(29)4-2-1-3-19-13-24-27-26-19/h9-11,13,18H,1-8,14H2,(H,25,29)(H,24,26,27)
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Novartis AG

US Patent


Assay Description
ATX activity was determined by measurement of released choline in reactions containing ATX (10 nM), choline oxidase (0.1 U/ml), HRP (100 U/ml), ample...


US Patent US9409895 (2016)


BindingDB Entry DOI: 10.7270/Q2GT5M2G
More data for this
Ligand-Target Pair
Ataxin-2


(Homo sapiens (Human))
BDBM241154
PNG
(US9409895, 64 | US9630945, 64)
Show SMILES Clc1cc(COC(=O)N2CCC(CC2)NC(=O)CCCCc2c[nH]nn2)cc(c1)C#N
Show InChI InChI=1S/C21H25ClN6O3/c22-17-10-15(12-23)9-16(11-17)14-31-21(30)28-7-5-18(6-8-28)25-20(29)4-2-1-3-19-13-24-27-26-19/h9-11,13,18H,1-8,14H2,(H,25,29)(H,24,26,27)
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Novartis AG

US Patent


Assay Description
ATX activity was determined by measurement of released choline in reactions containing ATX (10 nM), choline oxidase (0.1 U/ml), HRP (100 U/ml), ample...


US Patent US9630945 (2017)


BindingDB Entry DOI: 10.7270/Q25Q4Z5R
More data for this
Ligand-Target Pair
Ataxin-2


(Homo sapiens (Human))
BDBM241133
PNG
(US9409895, 44 | US9630945, 44)
Show SMILES Clc1cc(COC(=O)N2CCC(CC2)NC(=O)CCCc2c[nH]nn2)cc(c1)C#N
Show InChI InChI=1S/C20H23ClN6O3/c21-16-9-14(11-22)8-15(10-16)13-30-20(29)27-6-4-17(5-7-27)24-19(28)3-1-2-18-12-23-26-25-18/h8-10,12,17H,1-7,13H2,(H,24,28)(H,23,25,26)
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Novartis AG

US Patent


Assay Description
ATX activity was determined by measurement of released choline in reactions containing ATX (10 nM), choline oxidase (0.1 U/ml), HRP (100 U/ml), ample...


US Patent US9630945 (2017)


BindingDB Entry DOI: 10.7270/Q25Q4Z5R
More data for this
Ligand-Target Pair
Ataxin-2


(Homo sapiens (Human))
BDBM241146
PNG
(US9409895, 56 | US9630945, 56)
Show SMILES Cc1cc(Cl)cc(COC(=O)N2CCC(CC2)NC(=O)CCCc2c[nH]nn2)c1
Show InChI InChI=1S/C20H26ClN5O3/c1-14-9-15(11-16(21)10-14)13-29-20(28)26-7-5-17(6-8-26)23-19(27)4-2-3-18-12-22-25-24-18/h9-12,17H,2-8,13H2,1H3,(H,23,27)(H,22,24,25)
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Novartis AG

US Patent


Assay Description
ATX activity was determined by measurement of released choline in reactions containing ATX (10 nM), choline oxidase (0.1 U/ml), HRP (100 U/ml), ample...


US Patent US9630945 (2017)


BindingDB Entry DOI: 10.7270/Q25Q4Z5R
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM241146
PNG
(US9409895, 56 | US9630945, 56)
Show SMILES Cc1cc(Cl)cc(COC(=O)N2CCC(CC2)NC(=O)CCCc2c[nH]nn2)c1
Show InChI InChI=1S/C20H26ClN5O3/c1-14-9-15(11-16(21)10-14)13-29-20(28)26-7-5-17(6-8-26)23-19(27)4-2-3-18-12-22-25-24-18/h9-12,17H,2-8,13H2,1H3,(H,23,27)(H,22,24,25)
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US Patent


Assay Description
ATX activity was determined by measurement of released choline in reactions containing ATX (10 nM), choline oxidase (0.1 U/ml), HRP (100 U/ml), ample...


US Patent US9409895 (2016)


BindingDB Entry DOI: 10.7270/Q2GT5M2G
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM241140
PNG
(US9409895, 50 | US9630945, 50)
Show SMILES Clc1cc(Cl)cc(COC(=O)N2CC(C2)NC(=O)CCCc2c[nH]nn2)c1
Show InChI InChI=1S/C17H19Cl2N5O3/c18-12-4-11(5-13(19)6-12)10-27-17(26)24-8-15(9-24)21-16(25)3-1-2-14-7-20-23-22-14/h4-7,15H,1-3,8-10H2,(H,21,25)(H,20,22,23)
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US Patent


Assay Description
ATX activity was determined by measurement of released choline in reactions containing ATX (10 nM), choline oxidase (0.1 U/ml), HRP (100 U/ml), ample...


US Patent US9409895 (2016)


BindingDB Entry DOI: 10.7270/Q2GT5M2G
More data for this
Ligand-Target Pair
Ataxin-2


(Homo sapiens (Human))
BDBM241140
PNG
(US9409895, 50 | US9630945, 50)
Show SMILES Clc1cc(Cl)cc(COC(=O)N2CC(C2)NC(=O)CCCc2c[nH]nn2)c1
Show InChI InChI=1S/C17H19Cl2N5O3/c18-12-4-11(5-13(19)6-12)10-27-17(26)24-8-15(9-24)21-16(25)3-1-2-14-7-20-23-22-14/h4-7,15H,1-3,8-10H2,(H,21,25)(H,20,22,23)
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Novartis AG

US Patent


Assay Description
ATX activity was determined by measurement of released choline in reactions containing ATX (10 nM), choline oxidase (0.1 U/ml), HRP (100 U/ml), ample...


US Patent US9630945 (2017)


BindingDB Entry DOI: 10.7270/Q25Q4Z5R
More data for this
Ligand-Target Pair
Ataxin-2


(Homo sapiens (Human))
BDBM323245
PNG
(3-Cyano-5-methyl benzyl 4-(4-(1H-1,2,3-triazol-4-y...)
Show SMILES Cc1cc(COC(=O)N2CCC(CC2)NC(=O)CCCc2c[nH]nn2)cc(c1)C#N
Show InChI InChI=1S/C21H26N6O3/c1-15-9-16(12-22)11-17(10-15)14-30-21(29)27-7-5-18(6-8-27)24-20(28)4-2-3-19-13-23-26-25-19/h9-11,13,18H,2-8,14H2,1H3,(H,24,28)(H,23,25,26)
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Novartis AG

US Patent


Assay Description
ATX activity was determined by measurement of released choline in reactions containing ATX (10 nM), choline oxidase (0.1 U/ml), HRP (100 U/ml), ample...


US Patent US9630945 (2017)


BindingDB Entry DOI: 10.7270/Q25Q4Z5R
More data for this
Ligand-Target Pair
Ataxin-2


(Homo sapiens (Human))
BDBM241151
PNG
(US9409895, 61 | US9630945, 61)
Show SMILES Clc1cc(Cl)cc(COC(=O)N2CCC(CC(=O)NCCc3c[nH]nn3)CC2)c1
Show InChI InChI=1S/C19H23Cl2N5O3/c20-15-7-14(8-16(21)10-15)12-29-19(28)26-5-2-13(3-6-26)9-18(27)22-4-1-17-11-23-25-24-17/h7-8,10-11,13H,1-6,9,12H2,(H,22,27)(H,23,24,25)
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Novartis AG

US Patent


Assay Description
ATX activity was determined by measurement of released choline in reactions containing ATX (10 nM), choline oxidase (0.1 U/ml), HRP (100 U/ml), ample...


US Patent US9630945 (2017)


BindingDB Entry DOI: 10.7270/Q25Q4Z5R
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM241151
PNG
(US9409895, 61 | US9630945, 61)
Show SMILES Clc1cc(Cl)cc(COC(=O)N2CCC(CC(=O)NCCc3c[nH]nn3)CC2)c1
Show InChI InChI=1S/C19H23Cl2N5O3/c20-15-7-14(8-16(21)10-15)12-29-19(28)26-5-2-13(3-6-26)9-18(27)22-4-1-17-11-23-25-24-17/h7-8,10-11,13H,1-6,9,12H2,(H,22,27)(H,23,24,25)
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Novartis AG

US Patent


Assay Description
ATX activity was determined by measurement of released choline in reactions containing ATX (10 nM), choline oxidase (0.1 U/ml), HRP (100 U/ml), ample...


US Patent US9409895 (2016)


BindingDB Entry DOI: 10.7270/Q2GT5M2G
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM241147
PNG
(US9409895, 57 | US9630945, 57)
Show SMILES Clc1cc(Cl)cc(COC(=O)N2CCC(CNC(=O)CCc3cnn[nH]3)CC2)c1
Show InChI InChI=1S/C19H23Cl2N5O3/c20-15-7-14(8-16(21)9-15)12-29-19(28)26-5-3-13(4-6-26)10-22-18(27)2-1-17-11-23-25-24-17/h7-9,11,13H,1-6,10,12H2,(H,22,27)(H,23,24,25)
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Novartis AG

US Patent


Assay Description
ATX activity was determined by measurement of released choline in reactions containing ATX (10 nM), choline oxidase (0.1 U/ml), HRP (100 U/ml), ample...


US Patent US9409895 (2016)


BindingDB Entry DOI: 10.7270/Q2GT5M2G
More data for this
Ligand-Target Pair
Ataxin-2


(Homo sapiens (Human))
BDBM241147
PNG
(US9409895, 57 | US9630945, 57)
Show SMILES Clc1cc(Cl)cc(COC(=O)N2CCC(CNC(=O)CCc3cnn[nH]3)CC2)c1
Show InChI InChI=1S/C19H23Cl2N5O3/c20-15-7-14(8-16(21)9-15)12-29-19(28)26-5-3-13(4-6-26)10-22-18(27)2-1-17-11-23-25-24-17/h7-9,11,13H,1-6,10,12H2,(H,22,27)(H,23,24,25)
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Novartis AG

US Patent


Assay Description
ATX activity was determined by measurement of released choline in reactions containing ATX (10 nM), choline oxidase (0.1 U/ml), HRP (100 U/ml), ample...


US Patent US9630945 (2017)


BindingDB Entry DOI: 10.7270/Q25Q4Z5R
More data for this
Ligand-Target Pair
Ataxin-2


(Homo sapiens (Human))
BDBM241130
PNG
(US9409895, 41 | US9630945, 41)
Show SMILES Clc1cc(Cl)cc(COC(=O)N2CCC(CNC(=O)CCCc3cnn[nH]3)CC2)c1
Show InChI InChI=1S/C20H25Cl2N5O3/c21-16-8-15(9-17(22)10-16)13-30-20(29)27-6-4-14(5-7-27)11-23-19(28)3-1-2-18-12-24-26-25-18/h8-10,12,14H,1-7,11,13H2,(H,23,28)(H,24,25,26)
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Novartis AG

US Patent


Assay Description
ATX activity was determined by measurement of released choline in reactions containing ATX (10 nM), choline oxidase (0.1 U/ml), HRP (100 U/ml), ample...


US Patent US9630945 (2017)


BindingDB Entry DOI: 10.7270/Q25Q4Z5R
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM241130
PNG
(US9409895, 41 | US9630945, 41)
Show SMILES Clc1cc(Cl)cc(COC(=O)N2CCC(CNC(=O)CCCc3cnn[nH]3)CC2)c1
Show InChI InChI=1S/C20H25Cl2N5O3/c21-16-8-15(9-17(22)10-16)13-30-20(29)27-6-4-14(5-7-27)11-23-19(28)3-1-2-18-12-24-26-25-18/h8-10,12,14H,1-7,11,13H2,(H,23,28)(H,24,25,26)
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US Patent


Assay Description
ATX activity was determined by measurement of released choline in reactions containing ATX (10 nM), choline oxidase (0.1 U/ml), HRP (100 U/ml), ample...


US Patent US9409895 (2016)


BindingDB Entry DOI: 10.7270/Q2GT5M2G
More data for this
Ligand-Target Pair
Ataxin-2


(Homo sapiens (Human))
BDBM241127
PNG
(US9409895, 38 | US9630945, 38)
Show SMILES Clc1cc(Cl)cc(\C=C\C(=O)N2CCC(CC2)NC(=O)CCCc2c[nH]nn2)c1
Show InChI InChI=1S/C20H23Cl2N5O2/c21-15-10-14(11-16(22)12-15)4-5-20(29)27-8-6-17(7-9-27)24-19(28)3-1-2-18-13-23-26-25-18/h4-5,10-13,17H,1-3,6-9H2,(H,24,28)(H,23,25,26)/b5-4+
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Novartis AG

US Patent


Assay Description
ATX activity was determined by measurement of released choline in reactions containing ATX (10 nM), choline oxidase (0.1 U/ml), HRP (100 U/ml), ample...


US Patent US9630945 (2017)


BindingDB Entry DOI: 10.7270/Q25Q4Z5R
More data for this
Ligand-Target Pair
Ataxin-2


(Homo sapiens (Human))
BDBM323248
PNG
(3,5-Dichlorobenzyl 4-(4-(1H-tetrazol-5-yl)butanami...)
Show SMILES Clc1cc(Cl)cc(COC(=O)N2CCC(CC2)NC(=O)CCCc2nnn[nH]2)c1
Show InChI InChI=1S/C18H22Cl2N6O3/c19-13-8-12(9-14(20)10-13)11-29-18(28)26-6-4-15(5-7-26)21-17(27)3-1-2-16-22-24-25-23-16/h8-10,15H,1-7,11H2,(H,21,27)(H,22,23,24,25)
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Novartis AG

US Patent


Assay Description
ATX activity was determined by measurement of released choline in reactions containing ATX (10 nM), choline oxidase (0.1 U/ml), HRP (100 U/ml), ample...


US Patent US9630945 (2017)


BindingDB Entry DOI: 10.7270/Q25Q4Z5R
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM241127
PNG
(US9409895, 38 | US9630945, 38)
Show SMILES Clc1cc(Cl)cc(\C=C\C(=O)N2CCC(CC2)NC(=O)CCCc2c[nH]nn2)c1
Show InChI InChI=1S/C20H23Cl2N5O2/c21-15-10-14(11-16(22)12-15)4-5-20(29)27-8-6-17(7-9-27)24-19(28)3-1-2-18-13-23-26-25-18/h4-5,10-13,17H,1-3,6-9H2,(H,24,28)(H,23,25,26)/b5-4+
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US Patent


Assay Description
ATX activity was determined by measurement of released choline in reactions containing ATX (10 nM), choline oxidase (0.1 U/ml), HRP (100 U/ml), ample...


US Patent US9409895 (2016)


BindingDB Entry DOI: 10.7270/Q2GT5M2G
More data for this
Ligand-Target Pair
Ataxin-2


(Homo sapiens (Human))
BDBM241149
PNG
(US9409895, 59 | US9630945, 59)
Show SMILES Clc1cc(Cl)cc(CCOC(=O)N2CCC(CC2)NC(=O)CCCc2c[nH]nn2)c1
Show InChI InChI=1S/C20H25Cl2N5O3/c21-15-10-14(11-16(22)12-15)6-9-30-20(29)27-7-4-17(5-8-27)24-19(28)3-1-2-18-13-23-26-25-18/h10-13,17H,1-9H2,(H,24,28)(H,23,25,26)
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Novartis AG

US Patent


Assay Description
ATX activity was determined by measurement of released choline in reactions containing ATX (10 nM), choline oxidase (0.1 U/ml), HRP (100 U/ml), ample...


US Patent US9630945 (2017)


BindingDB Entry DOI: 10.7270/Q25Q4Z5R
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM241149
PNG
(US9409895, 59 | US9630945, 59)
Show SMILES Clc1cc(Cl)cc(CCOC(=O)N2CCC(CC2)NC(=O)CCCc2c[nH]nn2)c1
Show InChI InChI=1S/C20H25Cl2N5O3/c21-15-10-14(11-16(22)12-15)6-9-30-20(29)27-7-4-17(5-8-27)24-19(28)3-1-2-18-13-23-26-25-18/h10-13,17H,1-9H2,(H,24,28)(H,23,25,26)
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US Patent


Assay Description
ATX activity was determined by measurement of released choline in reactions containing ATX (10 nM), choline oxidase (0.1 U/ml), HRP (100 U/ml), ample...


US Patent US9409895 (2016)


BindingDB Entry DOI: 10.7270/Q2GT5M2G
More data for this
Ligand-Target Pair
Ataxin-2


(Homo sapiens (Human))
BDBM241155
PNG
(US9409895, 65 | US9630945, 65)
Show SMILES Clc1cc(COC(=O)N2CCC(CC2)NC(=O)CCc2c[nH]nn2)cc(c1)C#N
Show InChI InChI=1S/C19H21ClN6O3/c20-15-8-13(10-21)7-14(9-15)12-29-19(28)26-5-3-16(4-6-26)23-18(27)2-1-17-11-22-25-24-17/h7-9,11,16H,1-6,12H2,(H,23,27)(H,22,24,25)
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Novartis AG

US Patent


Assay Description
ATX activity was determined by measurement of released choline in reactions containing ATX (10 nM), choline oxidase (0.1 U/ml), HRP (100 U/ml), ample...


US Patent US9630945 (2017)


BindingDB Entry DOI: 10.7270/Q25Q4Z5R
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM241155
PNG
(US9409895, 65 | US9630945, 65)
Show SMILES Clc1cc(COC(=O)N2CCC(CC2)NC(=O)CCc2c[nH]nn2)cc(c1)C#N
Show InChI InChI=1S/C19H21ClN6O3/c20-15-8-13(10-21)7-14(9-15)12-29-19(28)26-5-3-16(4-6-26)23-18(27)2-1-17-11-22-25-24-17/h7-9,11,16H,1-6,12H2,(H,23,27)(H,22,24,25)
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US Patent


Assay Description
ATX activity was determined by measurement of released choline in reactions containing ATX (10 nM), choline oxidase (0.1 U/ml), HRP (100 U/ml), ample...


US Patent US9409895 (2016)


BindingDB Entry DOI: 10.7270/Q2GT5M2G
More data for this
Ligand-Target Pair
Ataxin-2


(Homo sapiens (Human))
BDBM241096
PNG
(US9409895, 7 | US9630945, 7)
Show SMILES Clc1cc(Cl)cc(COC(=O)N2CCC(CCNC(=O)Cc3c[nH]nn3)CC2)c1
Show InChI InChI=1S/C19H23Cl2N5O3/c20-15-7-14(8-16(21)9-15)12-29-19(28)26-5-2-13(3-6-26)1-4-22-18(27)10-17-11-23-25-24-17/h7-9,11,13H,1-6,10,12H2,(H,22,27)(H,23,24,25)
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Novartis AG

US Patent


Assay Description
ATX activity was determined by measurement of released choline in reactions containing ATX (10 nM), choline oxidase (0.1 U/ml), HRP (100 U/ml), ample...


US Patent US9630945 (2017)


BindingDB Entry DOI: 10.7270/Q25Q4Z5R
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM241096
PNG
(US9409895, 7 | US9630945, 7)
Show SMILES Clc1cc(Cl)cc(COC(=O)N2CCC(CCNC(=O)Cc3c[nH]nn3)CC2)c1
Show InChI InChI=1S/C19H23Cl2N5O3/c20-15-7-14(8-16(21)9-15)12-29-19(28)26-5-2-13(3-6-26)1-4-22-18(27)10-17-11-23-25-24-17/h7-9,11,13H,1-6,10,12H2,(H,22,27)(H,23,24,25)
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US Patent


Assay Description
ATX activity was determined by measurement of released choline in reactions containing ATX (10 nM), choline oxidase (0.1 U/ml), HRP (100 U/ml), ample...


US Patent US9409895 (2016)


BindingDB Entry DOI: 10.7270/Q2GT5M2G
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM241104
PNG
(US9409895, 15 | US9630945, 15)
Show SMILES CN(CCC1CCN(CC1)C(=O)OCc1cc(Cl)cc(Cl)c1)C(=O)c1c[nH]c(=O)s1
Show InChI InChI=1S/C20H23Cl2N3O4S/c1-24(18(26)17-11-23-19(27)30-17)5-2-13-3-6-25(7-4-13)20(28)29-12-14-8-15(21)10-16(22)9-14/h8-11,13H,2-7,12H2,1H3,(H,23,27)
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US Patent


Assay Description
ATX activity was determined by measurement of released choline in reactions containing ATX (10 nM), choline oxidase (0.1 U/ml), HRP (100 U/ml), ample...


US Patent US9409895 (2016)


BindingDB Entry DOI: 10.7270/Q2GT5M2G
More data for this
Ligand-Target Pair
Ataxin-2


(Homo sapiens (Human))
BDBM241104
PNG
(US9409895, 15 | US9630945, 15)
Show SMILES CN(CCC1CCN(CC1)C(=O)OCc1cc(Cl)cc(Cl)c1)C(=O)c1c[nH]c(=O)s1
Show InChI InChI=1S/C20H23Cl2N3O4S/c1-24(18(26)17-11-23-19(27)30-17)5-2-13-3-6-25(7-4-13)20(28)29-12-14-8-15(21)10-16(22)9-14/h8-11,13H,2-7,12H2,1H3,(H,23,27)
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US Patent


Assay Description
ATX activity was determined by measurement of released choline in reactions containing ATX (10 nM), choline oxidase (0.1 U/ml), HRP (100 U/ml), ample...


US Patent US9630945 (2017)


BindingDB Entry DOI: 10.7270/Q25Q4Z5R
More data for this
Ligand-Target Pair
Ataxin-2


(Homo sapiens (Human))
BDBM323249
PNG
(3-Chloro-5-cyanobenzyl 4-((4-(1H-1,2,3-triazol-4-y...)
Show SMILES Clc1cc(COC(=O)N2CCC(CC2)NCCCCc2c[nH]nn2)cc(c1)C#N
Show InChI InChI=1S/C20H25ClN6O2/c21-17-10-15(12-22)9-16(11-17)14-29-20(28)27-7-4-18(5-8-27)23-6-2-1-3-19-13-24-26-25-19/h9-11,13,18,23H,1-8,14H2,(H,24,25,26)
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US Patent


Assay Description
ATX activity was determined by measurement of released choline in reactions containing ATX (10 nM), choline oxidase (0.1 U/ml), HRP (100 U/ml), ample...


US Patent US9630945 (2017)


BindingDB Entry DOI: 10.7270/Q25Q4Z5R
More data for this
Ligand-Target Pair
Ataxin-2


(Homo sapiens (Human))
BDBM241143
PNG
(US9409895, 53 | US9630945, 53)
Show SMILES FC(F)(F)c1ccc(COC(=O)N2CCC(CC2)NC(=O)CCCc2c[nH]nn2)cc1
Show InChI InChI=1S/C20H24F3N5O3/c21-20(22,23)15-6-4-14(5-7-15)13-31-19(30)28-10-8-16(9-11-28)25-18(29)3-1-2-17-12-24-27-26-17/h4-7,12,16H,1-3,8-11,13H2,(H,25,29)(H,24,26,27)
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Novartis AG

US Patent


Assay Description
ATX activity was determined by measurement of released choline in reactions containing ATX (10 nM), choline oxidase (0.1 U/ml), HRP (100 U/ml), ample...


US Patent US9630945 (2017)


BindingDB Entry DOI: 10.7270/Q25Q4Z5R
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM241143
PNG
(US9409895, 53 | US9630945, 53)
Show SMILES FC(F)(F)c1ccc(COC(=O)N2CCC(CC2)NC(=O)CCCc2c[nH]nn2)cc1
Show InChI InChI=1S/C20H24F3N5O3/c21-20(22,23)15-6-4-14(5-7-15)13-31-19(30)28-10-8-16(9-11-28)25-18(29)3-1-2-17-12-24-27-26-17/h4-7,12,16H,1-3,8-11,13H2,(H,25,29)(H,24,26,27)
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Novartis AG

US Patent


Assay Description
ATX activity was determined by measurement of released choline in reactions containing ATX (10 nM), choline oxidase (0.1 U/ml), HRP (100 U/ml), ample...


US Patent US9409895 (2016)


BindingDB Entry DOI: 10.7270/Q2GT5M2G
More data for this
Ligand-Target Pair
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