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Patent code US9802944

Compile Data Set for Download or QSAR
Found 68 hits of Enzyme Inhibition Constant Data   
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))		BDBM352271
PNG
(5-((3aS,6aS)-5-(5-Cyclopropyl-6-(tetrahydro-2H-pyr...)
Show SMILES NS(=O)(=O)c1ccc(cn1)C(=O)N1C[C@H]2CN(C[C@@H]2C1)C(=O)c1cnc(OC2CCOCC2)c(c1)C1CC1
Show InChI InChI=1S/C26H31N5O6S/c27-38(34,35)23-4-3-17(10-28-23)25(32)30-12-19-14-31(15-20(19)13-30)26(33)18-9-22(16-1-2-16)24(29-11-18)37-21-5-7-36-8-6-21/h3-4,9-11,16,19-21H,1-2,5-8,12-15H2,(H2,27,34,35)/t19-,20-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Hoffmann-La Roche Inc

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...

US Patent US9802944 (2017)


BindingDB Entry DOI: 10.7270/Q2SF2Z9M
More data for this
Ligand-Target Pair
Ataxin-2


(Homo sapiens (Human))		BDBM352340
PNG
(US9802944, Example 2.01)
Show SMILES O=C(N1C[C@H]2CN(C[C@@H]2C1)C(=O)c1cc(OCC2CCOCC2)nc(c1)C1CC1)c1ccc2[nH]nnc2c1
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n/an/a 3n/an/an/an/an/an/a



Hoffmann-La Roche Inc

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...

US Patent US9802944 (2017)


BindingDB Entry DOI: 10.7270/Q2SF2Z9M
More data for this
Ligand-Target Pair
Ataxin-2


(Homo sapiens (Human))		BDBM352339
PNG
(4-((3aR,6aS)-5-(5-Cyclopropyl-6-(tetrahydro-2H-pyr...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1C[C@H]2CN(C[C@H]2C1)C(=O)c1cnc(OC2CCOCC2)c(c1)C1CC1
Show InChI InChI=1S/C27H32N4O6S/c28-38(34,35)23-5-3-18(4-6-23)26(32)30-13-20-15-31(16-21(20)14-30)27(33)19-11-24(17-1-2-17)25(29-12-19)37-22-7-9-36-10-8-22/h3-6,11-12,17,20-22H,1-2,7-10,13-16H2,(H2,28,34,35)/t20-,21+
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Hoffmann-La Roche Inc

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...

US Patent US9802944 (2017)


BindingDB Entry DOI: 10.7270/Q2SF2Z9M
More data for this
Ligand-Target Pair
Ataxin-2


(Homo sapiens (Human))		BDBM352271
PNG
(5-((3aS,6aS)-5-(5-Cyclopropyl-6-(tetrahydro-2H-pyr...)
Show SMILES NS(=O)(=O)c1ccc(cn1)C(=O)N1C[C@H]2CN(C[C@@H]2C1)C(=O)c1cnc(OC2CCOCC2)c(c1)C1CC1
Show InChI InChI=1S/C26H31N5O6S/c27-38(34,35)23-4-3-17(10-28-23)25(32)30-12-19-14-31(15-20(19)13-30)26(33)18-9-22(16-1-2-16)24(29-11-18)37-21-5-7-36-8-6-21/h3-4,9-11,16,19-21H,1-2,5-8,12-15H2,(H2,27,34,35)/t19-,20-/m0/s1
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Hoffmann-La Roche Inc

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...

US Patent US9802944 (2017)


BindingDB Entry DOI: 10.7270/Q2SF2Z9M
More data for this
Ligand-Target Pair
Ataxin-2


(Homo sapiens (Human))		BDBM352349
PNG
(US9802944, Example 2.06)
Show SMILES O=C(N1C[C@H]2CN(C[C@@H]2C1)C(=O)c1cnc(OC2CCCOC2)c(c1)C1CC1)c1ccc2[nH]nnc2c1
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n/an/a 4.5n/an/an/an/an/an/a



Hoffmann-La Roche Inc

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...

US Patent US9802944 (2017)


BindingDB Entry DOI: 10.7270/Q2SF2Z9M
More data for this
Ligand-Target Pair
Ataxin-2


(Homo sapiens (Human))		BDBM352366
PNG
(US9802944, Example 2.23)
Show SMILES CN(C)c1cc(cc(OCC2CCOCC2)n1)C(=O)N1C[C@@H]2CN(C[C@H]2C1)C(=O)c1ccc2[nH]nnc2c1
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Hoffmann-La Roche Inc

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...

US Patent US9802944 (2017)


BindingDB Entry DOI: 10.7270/Q2SF2Z9M
More data for this
Ligand-Target Pair
Ataxin-2


(Homo sapiens (Human))		BDBM352339
PNG
(4-((3aR,6aS)-5-(5-Cyclopropyl-6-(tetrahydro-2H-pyr...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1C[C@H]2CN(C[C@H]2C1)C(=O)c1cnc(OC2CCOCC2)c(c1)C1CC1
Show InChI InChI=1S/C27H32N4O6S/c28-38(34,35)23-5-3-18(4-6-23)26(32)30-13-20-15-31(16-21(20)14-30)27(33)19-11-24(17-1-2-17)25(29-12-19)37-22-7-9-36-10-8-22/h3-6,11-12,17,20-22H,1-2,7-10,13-16H2,(H2,28,34,35)/t20-,21+
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Hoffmann-La Roche Inc

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...

US Patent US9802944 (2017)


BindingDB Entry DOI: 10.7270/Q2SF2Z9M
More data for this
Ligand-Target Pair
Ataxin-2


(Homo sapiens (Human))		BDBM352271
PNG
(5-((3aS,6aS)-5-(5-Cyclopropyl-6-(tetrahydro-2H-pyr...)
Show SMILES NS(=O)(=O)c1ccc(cn1)C(=O)N1C[C@H]2CN(C[C@@H]2C1)C(=O)c1cnc(OC2CCOCC2)c(c1)C1CC1
Show InChI InChI=1S/C26H31N5O6S/c27-38(34,35)23-4-3-17(10-28-23)25(32)30-12-19-14-31(15-20(19)13-30)26(33)18-9-22(16-1-2-16)24(29-11-18)37-21-5-7-36-8-6-21/h3-4,9-11,16,19-21H,1-2,5-8,12-15H2,(H2,27,34,35)/t19-,20-/m0/s1
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Hoffmann-La Roche Inc

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...

US Patent US9802944 (2017)


BindingDB Entry DOI: 10.7270/Q2SF2Z9M
More data for this
Ligand-Target Pair
Ataxin-2


(Homo sapiens (Human))		BDBM352388
PNG
(((3aR,8aS)-6-(2-Cyclopropyl-6-((tetrahydro-2H-pyra...)
Show SMILES O=C([C@H]1CCc2[nH]nnc2C1)N1C[C@H]2CCN(CC[C@H]2C1)C(=O)c1cc(OCC2CCOCC2)nc(c1)C1CC1
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n/an/a 5n/an/an/an/an/an/a



Hoffmann-La Roche Inc

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...

US Patent US9802944 (2017)


BindingDB Entry DOI: 10.7270/Q2SF2Z9M
More data for this
Ligand-Target Pair
Ataxin-2


(Homo sapiens (Human))		BDBM352271
PNG
(5-((3aS,6aS)-5-(5-Cyclopropyl-6-(tetrahydro-2H-pyr...)
Show SMILES NS(=O)(=O)c1ccc(cn1)C(=O)N1C[C@H]2CN(C[C@@H]2C1)C(=O)c1cnc(OC2CCOCC2)c(c1)C1CC1
Show InChI InChI=1S/C26H31N5O6S/c27-38(34,35)23-4-3-17(10-28-23)25(32)30-12-19-14-31(15-20(19)13-30)26(33)18-9-22(16-1-2-16)24(29-11-18)37-21-5-7-36-8-6-21/h3-4,9-11,16,19-21H,1-2,5-8,12-15H2,(H2,27,34,35)/t19-,20-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Hoffmann-La Roche Inc

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...

US Patent US9802944 (2017)


BindingDB Entry DOI: 10.7270/Q2SF2Z9M
More data for this
Ligand-Target Pair
Ataxin-2


(Homo sapiens (Human))		BDBM352271
PNG
(5-((3aS,6aS)-5-(5-Cyclopropyl-6-(tetrahydro-2H-pyr...)
Show SMILES NS(=O)(=O)c1ccc(cn1)C(=O)N1C[C@H]2CN(C[C@@H]2C1)C(=O)c1cnc(OC2CCOCC2)c(c1)C1CC1
Show InChI InChI=1S/C26H31N5O6S/c27-38(34,35)23-4-3-17(10-28-23)25(32)30-12-19-14-31(15-20(19)13-30)26(33)18-9-22(16-1-2-16)24(29-11-18)37-21-5-7-36-8-6-21/h3-4,9-11,16,19-21H,1-2,5-8,12-15H2,(H2,27,34,35)/t19-,20-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Hoffmann-La Roche Inc

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...

US Patent US9802944 (2017)


BindingDB Entry DOI: 10.7270/Q2SF2Z9M
More data for this
Ligand-Target Pair
Ataxin-2


(Homo sapiens (Human))		BDBM352389
PNG
(1H-Triazol-4-ylmethyl (3aS,8aR)-6-[2-cyclopropyl-6...)
Show SMILES O=C(OCc1c[nH]nn1)N1C[C@H]2CCN(CC[C@H]2C1)C(=O)c1cc(OCC2CCOCC2)nc(c1)C1CC1
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Hoffmann-La Roche Inc

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...

US Patent US9802944 (2017)


BindingDB Entry DOI: 10.7270/Q2SF2Z9M
More data for this
Ligand-Target Pair
Ataxin-2


(Homo sapiens (Human))		BDBM352382
PNG
(((3aR,6aR)-5-(2-Cyclopropyl-6-((tetrahydro-2H-pyra...)
Show SMILES O=C(N1C[C@H]2CN(C[C@@H]2C1)C(=O)c1cc(OCC2CCOCC2)nc(c1)C1CC1)N1CCc2[nH]nnc2C1
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Hoffmann-La Roche Inc

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...

US Patent US9802944 (2017)


BindingDB Entry DOI: 10.7270/Q2SF2Z9M
More data for this
Ligand-Target Pair
Ataxin-2


(Homo sapiens (Human))		BDBM352364
PNG
(US9802944, Example 2.21)
Show SMILES O=C([C@@H]1CCc2[nH]nnc2C1)N1C[C@H]2CCN(CC[C@H]2C1)C(=O)c1cc(OCC2CCOCC2)nc(c1)C1CC1
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Hoffmann-La Roche Inc

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...

US Patent US9802944 (2017)


BindingDB Entry DOI: 10.7270/Q2SF2Z9M
More data for this
Ligand-Target Pair
Ataxin-2


(Homo sapiens (Human))		BDBM352271
PNG
(5-((3aS,6aS)-5-(5-Cyclopropyl-6-(tetrahydro-2H-pyr...)
Show SMILES NS(=O)(=O)c1ccc(cn1)C(=O)N1C[C@H]2CN(C[C@@H]2C1)C(=O)c1cnc(OC2CCOCC2)c(c1)C1CC1
Show InChI InChI=1S/C26H31N5O6S/c27-38(34,35)23-4-3-17(10-28-23)25(32)30-12-19-14-31(15-20(19)13-30)26(33)18-9-22(16-1-2-16)24(29-11-18)37-21-5-7-36-8-6-21/h3-4,9-11,16,19-21H,1-2,5-8,12-15H2,(H2,27,34,35)/t19-,20-/m0/s1
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Hoffmann-La Roche Inc

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...

US Patent US9802944 (2017)


BindingDB Entry DOI: 10.7270/Q2SF2Z9M
More data for this
Ligand-Target Pair
Ataxin-2


(Homo sapiens (Human))		BDBM352357
PNG
(US9802944, Example 2.14)
Show SMILES NS(=O)(=O)c1ccc(nc1)C(=O)N1C[C@H]2CN(C[C@@H]2C1)C(=O)c1cc(OCC2CCOCC2)nc(c1)C1CC1
Show InChI InChI=1S/C27H33N5O6S/c28-39(35,36)22-3-4-23(29-11-22)27(34)32-14-20-12-31(13-21(20)15-32)26(33)19-9-24(18-1-2-18)30-25(10-19)38-16-17-5-7-37-8-6-17/h3-4,9-11,17-18,20-21H,1-2,5-8,12-16H2,(H2,28,35,36)/t20-,21-/m1/s1
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n/an/a 6n/an/an/an/an/an/a



Hoffmann-La Roche Inc

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...

US Patent US9802944 (2017)


BindingDB Entry DOI: 10.7270/Q2SF2Z9M
More data for this
Ligand-Target Pair
Ataxin-2


(Homo sapiens (Human))		BDBM352271
PNG
(5-((3aS,6aS)-5-(5-Cyclopropyl-6-(tetrahydro-2H-pyr...)
Show SMILES NS(=O)(=O)c1ccc(cn1)C(=O)N1C[C@H]2CN(C[C@@H]2C1)C(=O)c1cnc(OC2CCOCC2)c(c1)C1CC1
Show InChI InChI=1S/C26H31N5O6S/c27-38(34,35)23-4-3-17(10-28-23)25(32)30-12-19-14-31(15-20(19)13-30)26(33)18-9-22(16-1-2-16)24(29-11-18)37-21-5-7-36-8-6-21/h3-4,9-11,16,19-21H,1-2,5-8,12-15H2,(H2,27,34,35)/t19-,20-/m0/s1
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n/an/a 7n/an/an/an/an/an/a



Hoffmann-La Roche Inc

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...

US Patent US9802944 (2017)


BindingDB Entry DOI: 10.7270/Q2SF2Z9M
More data for this
Ligand-Target Pair
Ataxin-2


(Homo sapiens (Human))		BDBM352371
PNG
(US9802944, Example 2.28)
Show SMILES O=C([C@@H]1CCc2[nH]nnc2C1)N1C[C@H]2CCN(CC[C@H]2C1)C(=O)c1cc(OCC2CCOCC2)cc(c1)C1CC1
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n/an/a 7n/an/an/an/an/an/a



Hoffmann-La Roche Inc

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...

US Patent US9802944 (2017)


BindingDB Entry DOI: 10.7270/Q2SF2Z9M
More data for this
Ligand-Target Pair
Ataxin-2


(Homo sapiens (Human))		BDBM352382
PNG
(((3aR,6aR)-5-(2-Cyclopropyl-6-((tetrahydro-2H-pyra...)
Show SMILES O=C(N1C[C@H]2CN(C[C@@H]2C1)C(=O)c1cc(OCC2CCOCC2)nc(c1)C1CC1)N1CCc2[nH]nnc2C1
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n/an/a 7n/an/an/an/an/an/a



Hoffmann-La Roche Inc

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...

US Patent US9802944 (2017)


BindingDB Entry DOI: 10.7270/Q2SF2Z9M
More data for this
Ligand-Target Pair
Ataxin-2


(Homo sapiens (Human))		BDBM352271
PNG
(5-((3aS,6aS)-5-(5-Cyclopropyl-6-(tetrahydro-2H-pyr...)
Show SMILES NS(=O)(=O)c1ccc(cn1)C(=O)N1C[C@H]2CN(C[C@@H]2C1)C(=O)c1cnc(OC2CCOCC2)c(c1)C1CC1
Show InChI InChI=1S/C26H31N5O6S/c27-38(34,35)23-4-3-17(10-28-23)25(32)30-12-19-14-31(15-20(19)13-30)26(33)18-9-22(16-1-2-16)24(29-11-18)37-21-5-7-36-8-6-21/h3-4,9-11,16,19-21H,1-2,5-8,12-15H2,(H2,27,34,35)/t19-,20-/m0/s1
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Hoffmann-La Roche Inc

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...

US Patent US9802944 (2017)


BindingDB Entry DOI: 10.7270/Q2SF2Z9M
More data for this
Ligand-Target Pair
Ataxin-2


(Homo sapiens (Human))		BDBM352271
PNG
(5-((3aS,6aS)-5-(5-Cyclopropyl-6-(tetrahydro-2H-pyr...)
Show SMILES NS(=O)(=O)c1ccc(cn1)C(=O)N1C[C@H]2CN(C[C@@H]2C1)C(=O)c1cnc(OC2CCOCC2)c(c1)C1CC1
Show InChI InChI=1S/C26H31N5O6S/c27-38(34,35)23-4-3-17(10-28-23)25(32)30-12-19-14-31(15-20(19)13-30)26(33)18-9-22(16-1-2-16)24(29-11-18)37-21-5-7-36-8-6-21/h3-4,9-11,16,19-21H,1-2,5-8,12-15H2,(H2,27,34,35)/t19-,20-/m0/s1
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n/an/a 7n/an/an/an/an/an/a



Hoffmann-La Roche Inc

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...

US Patent US9802944 (2017)


BindingDB Entry DOI: 10.7270/Q2SF2Z9M
More data for this
Ligand-Target Pair
Ataxin-2


(Homo sapiens (Human))		BDBM352372
PNG
(US9802944, Example 2.29)
Show SMILES O=C(N1C[C@H]2CN(C[C@@H]2C1)C(=O)c1cc(OCC2CCOCC2)cc(c1)C1CC1)c1ccc2[nH]nnc2c1
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n/an/a 7n/an/an/an/an/an/a



Hoffmann-La Roche Inc

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...

US Patent US9802944 (2017)


BindingDB Entry DOI: 10.7270/Q2SF2Z9M
More data for this
Ligand-Target Pair
Ataxin-2


(Homo sapiens (Human))		BDBM352382
PNG
(((3aR,6aR)-5-(2-Cyclopropyl-6-((tetrahydro-2H-pyra...)
Show SMILES O=C(N1C[C@H]2CN(C[C@@H]2C1)C(=O)c1cc(OCC2CCOCC2)nc(c1)C1CC1)N1CCc2[nH]nnc2C1
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n/an/a 7n/an/an/an/an/an/a



Hoffmann-La Roche Inc

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...

US Patent US9802944 (2017)


BindingDB Entry DOI: 10.7270/Q2SF2Z9M
More data for this
Ligand-Target Pair
Ataxin-2


(Homo sapiens (Human))		BDBM352271
PNG
(5-((3aS,6aS)-5-(5-Cyclopropyl-6-(tetrahydro-2H-pyr...)
Show SMILES NS(=O)(=O)c1ccc(cn1)C(=O)N1C[C@H]2CN(C[C@@H]2C1)C(=O)c1cnc(OC2CCOCC2)c(c1)C1CC1
Show InChI InChI=1S/C26H31N5O6S/c27-38(34,35)23-4-3-17(10-28-23)25(32)30-12-19-14-31(15-20(19)13-30)26(33)18-9-22(16-1-2-16)24(29-11-18)37-21-5-7-36-8-6-21/h3-4,9-11,16,19-21H,1-2,5-8,12-15H2,(H2,27,34,35)/t19-,20-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



Hoffmann-La Roche Inc

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...

US Patent US9802944 (2017)


BindingDB Entry DOI: 10.7270/Q2SF2Z9M
More data for this
Ligand-Target Pair
Ataxin-2


(Homo sapiens (Human))		BDBM352271
PNG
(5-((3aS,6aS)-5-(5-Cyclopropyl-6-(tetrahydro-2H-pyr...)
Show SMILES NS(=O)(=O)c1ccc(cn1)C(=O)N1C[C@H]2CN(C[C@@H]2C1)C(=O)c1cnc(OC2CCOCC2)c(c1)C1CC1
Show InChI InChI=1S/C26H31N5O6S/c27-38(34,35)23-4-3-17(10-28-23)25(32)30-12-19-14-31(15-20(19)13-30)26(33)18-9-22(16-1-2-16)24(29-11-18)37-21-5-7-36-8-6-21/h3-4,9-11,16,19-21H,1-2,5-8,12-15H2,(H2,27,34,35)/t19-,20-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



Hoffmann-La Roche Inc

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...

US Patent US9802944 (2017)


BindingDB Entry DOI: 10.7270/Q2SF2Z9M
More data for this
Ligand-Target Pair
Ataxin-2


(Homo sapiens (Human))		BDBM352271
PNG
(5-((3aS,6aS)-5-(5-Cyclopropyl-6-(tetrahydro-2H-pyr...)
Show SMILES NS(=O)(=O)c1ccc(cn1)C(=O)N1C[C@H]2CN(C[C@@H]2C1)C(=O)c1cnc(OC2CCOCC2)c(c1)C1CC1
Show InChI InChI=1S/C26H31N5O6S/c27-38(34,35)23-4-3-17(10-28-23)25(32)30-12-19-14-31(15-20(19)13-30)26(33)18-9-22(16-1-2-16)24(29-11-18)37-21-5-7-36-8-6-21/h3-4,9-11,16,19-21H,1-2,5-8,12-15H2,(H2,27,34,35)/t19-,20-/m0/s1
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n/an/a 9n/an/an/an/an/an/a



Hoffmann-La Roche Inc

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...

US Patent US9802944 (2017)


BindingDB Entry DOI: 10.7270/Q2SF2Z9M
More data for this
Ligand-Target Pair
Ataxin-2


(Homo sapiens (Human))		BDBM352271
PNG
(5-((3aS,6aS)-5-(5-Cyclopropyl-6-(tetrahydro-2H-pyr...)
Show SMILES NS(=O)(=O)c1ccc(cn1)C(=O)N1C[C@H]2CN(C[C@@H]2C1)C(=O)c1cnc(OC2CCOCC2)c(c1)C1CC1
Show InChI InChI=1S/C26H31N5O6S/c27-38(34,35)23-4-3-17(10-28-23)25(32)30-12-19-14-31(15-20(19)13-30)26(33)18-9-22(16-1-2-16)24(29-11-18)37-21-5-7-36-8-6-21/h3-4,9-11,16,19-21H,1-2,5-8,12-15H2,(H2,27,34,35)/t19-,20-/m0/s1
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n/an/a 9n/an/an/an/an/an/a



Hoffmann-La Roche Inc

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...

US Patent US9802944 (2017)


BindingDB Entry DOI: 10.7270/Q2SF2Z9M
More data for this
Ligand-Target Pair
Ataxin-2


(Homo sapiens (Human))		BDBM352354
PNG
(US9802944, Example 2.11)
Show SMILES O=C([C@@H]1CCc2[nH]nnc2C1)N1C[C@H]2CN(C[C@@H]2C1)C(=O)c1cnc(NC2CCOCC2)c(c1)C1CC1
UniProtKB/SwissProt

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n/an/a 9n/an/an/an/an/an/a



Hoffmann-La Roche Inc

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...

US Patent US9802944 (2017)


BindingDB Entry DOI: 10.7270/Q2SF2Z9M
More data for this
Ligand-Target Pair
Ataxin-2


(Homo sapiens (Human))		BDBM352271
PNG
(5-((3aS,6aS)-5-(5-Cyclopropyl-6-(tetrahydro-2H-pyr...)
Show SMILES NS(=O)(=O)c1ccc(cn1)C(=O)N1C[C@H]2CN(C[C@@H]2C1)C(=O)c1cnc(OC2CCOCC2)c(c1)C1CC1
Show InChI InChI=1S/C26H31N5O6S/c27-38(34,35)23-4-3-17(10-28-23)25(32)30-12-19-14-31(15-20(19)13-30)26(33)18-9-22(16-1-2-16)24(29-11-18)37-21-5-7-36-8-6-21/h3-4,9-11,16,19-21H,1-2,5-8,12-15H2,(H2,27,34,35)/t19-,20-/m0/s1
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n/an/a 9n/an/an/an/an/an/a



Hoffmann-La Roche Inc

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...

US Patent US9802944 (2017)


BindingDB Entry DOI: 10.7270/Q2SF2Z9M
More data for this
Ligand-Target Pair
Ataxin-2


(Homo sapiens (Human))		BDBM352360
PNG
(US9802944, Example 2.17)
Show SMILES NS(=O)(=O)c1ccc(nc1)C(=O)N1C[C@H]2CN(C[C@@H]2C1)C(=O)c1cc(OCC2CCCOC2)nc(c1)C1CC1
Show InChI InChI=1S/C27H33N5O6S/c28-39(35,36)22-5-6-23(29-10-22)27(34)32-13-20-11-31(12-21(20)14-32)26(33)19-8-24(18-3-4-18)30-25(9-19)38-16-17-2-1-7-37-15-17/h5-6,8-10,17-18,20-21H,1-4,7,11-16H2,(H2,28,35,36)/t17?,20-,21-/m1/s1
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n/an/a 9n/an/an/an/an/an/a



Hoffmann-La Roche Inc

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...

US Patent US9802944 (2017)


BindingDB Entry DOI: 10.7270/Q2SF2Z9M
More data for this
Ligand-Target Pair
Ataxin-2


(Homo sapiens (Human))		BDBM352382
PNG
(((3aR,6aR)-5-(2-Cyclopropyl-6-((tetrahydro-2H-pyra...)
Show SMILES O=C(N1C[C@H]2CN(C[C@@H]2C1)C(=O)c1cc(OCC2CCOCC2)nc(c1)C1CC1)N1CCc2[nH]nnc2C1
UniProtKB/SwissProt

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n/an/a 10n/an/an/an/an/an/a



Hoffmann-La Roche Inc

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...

US Patent US9802944 (2017)


BindingDB Entry DOI: 10.7270/Q2SF2Z9M
More data for this
Ligand-Target Pair
Ataxin-2


(Homo sapiens (Human))		BDBM352361
PNG
(US9802944, Example 2.18)
Show SMILES O=C(N1C[C@@H]2CN(Cc3ccc4[nH]nnc4c3)C[C@H]2C1)c1cc(OCC2CCOCC2)nc(c1)C1CC1
UniProtKB/SwissProt

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n/an/a 10n/an/an/an/an/an/a



Hoffmann-La Roche Inc

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...

US Patent US9802944 (2017)


BindingDB Entry DOI: 10.7270/Q2SF2Z9M
More data for this
Ligand-Target Pair
Ataxin-2


(Homo sapiens (Human))		BDBM352342
PNG
(US9802944, Example 2.03)
Show SMILES O=C(N1C[C@@H]2CN(C[C@H]2C1)C(=O)c1ccc2[nH]nnc2c1)c1ccc(OC2CCOC2)c(c1)C1CC1
UniProtKB/SwissProt

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n/an/a 10n/an/an/an/an/an/a



Hoffmann-La Roche Inc

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...

US Patent US9802944 (2017)


BindingDB Entry DOI: 10.7270/Q2SF2Z9M
More data for this
Ligand-Target Pair
Ataxin-2


(Homo sapiens (Human))		BDBM352356
PNG
(US9802944, Example 2.13)
Show SMILES NS(=O)(=O)c1ccc(nc1)C(=O)N1C[C@H]2CN(C[C@@H]2C1)C(=O)c1cnc(OC2CCCOC2)c(c1)C1CC1
Show InChI InChI=1S/C26H31N5O6S/c27-38(34,35)21-5-6-23(28-10-21)26(33)31-13-18-11-30(12-19(18)14-31)25(32)17-8-22(16-3-4-16)24(29-9-17)37-20-2-1-7-36-15-20/h5-6,8-10,16,18-20H,1-4,7,11-15H2,(H2,27,34,35)/t18-,19-,20?/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Hoffmann-La Roche Inc

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...

US Patent US9802944 (2017)


BindingDB Entry DOI: 10.7270/Q2SF2Z9M
More data for this
Ligand-Target Pair
Ataxin-2


(Homo sapiens (Human))		BDBM352362
PNG
(US9802944, Example 2.19)
Show SMILES O=C(N1C[C@@H]2CN(Cc3ccc4[nH]nnc4c3)C[C@H]2C1)c1cc(OCC2CCCOC2)nc(c1)C1CC1
UniProtKB/SwissProt

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n/an/a 10n/an/an/an/an/an/a



Hoffmann-La Roche Inc

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...

US Patent US9802944 (2017)


BindingDB Entry DOI: 10.7270/Q2SF2Z9M
More data for this
Ligand-Target Pair
Ataxin-2


(Homo sapiens (Human))		BDBM352365
PNG
(US9802944, Example 2.22)
Show SMILES O=C(N1C[C@H]2CCN(CC[C@H]2C1)C(=O)c1ccc2[nH]nnc2c1)c1cc(OCC2CCOCC2)nc(c1)C1CC1
UniProtKB/SwissProt

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n/an/a 10n/an/an/an/an/an/a



Hoffmann-La Roche Inc

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...

US Patent US9802944 (2017)


BindingDB Entry DOI: 10.7270/Q2SF2Z9M
More data for this
Ligand-Target Pair
Ataxin-2


(Homo sapiens (Human))		BDBM352350
PNG
(US9802944, Example 2.07 | US9802944, Example 2.09)
Show SMILES O=C(N1C[C@H]2CN(C[C@@H]2C1)C(=O)c1cnc(OC2CCOCC2)c(c1)C1CC1)c1ccc2[nH]nnc2c1
UniProtKB/SwissProt

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n/an/a 10n/an/an/an/an/an/a



Hoffmann-La Roche Inc

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...

US Patent US9802944 (2017)


BindingDB Entry DOI: 10.7270/Q2SF2Z9M
More data for this
Ligand-Target Pair
Ataxin-2


(Homo sapiens (Human))		BDBM352348
PNG
(US9802944, Example 2.05)
Show SMILES O=C(N1C[C@H]2CN(C[C@@H]2C1)C(=O)c1cnc(OC2CCOC2)c(c1)C1CC1)c1ccc2[nH]nnc2c1
UniProtKB/SwissProt

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n/an/a 10.5n/an/an/an/an/an/a



Hoffmann-La Roche Inc

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...

US Patent US9802944 (2017)


BindingDB Entry DOI: 10.7270/Q2SF2Z9M
More data for this
Ligand-Target Pair
Ataxin-2


(Homo sapiens (Human))		BDBM352367
PNG
(US9802944, Example 2.24)
Show SMILES O=C(N1C[C@@H]2CN(Cc3ccc4[nH]c(=O)oc4c3)C[C@H]2C1)c1cc(OCC2CCOCC2)nc(c1)C1CC1
UniProtKB/SwissProt

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n/an/a 11n/an/an/an/an/an/a



Hoffmann-La Roche Inc

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...

US Patent US9802944 (2017)


BindingDB Entry DOI: 10.7270/Q2SF2Z9M
More data for this
Ligand-Target Pair
Ataxin-2


(Homo sapiens (Human))		BDBM352355
PNG
(US9802944, Example 2.12)
Show SMILES O=C([C@@H]1CCc2[nH]nnc2C1)N1C[C@H]2CN(C[C@@H]2C1)C(=O)c1cnc(OC2CCCOC2)c(c1)C1CC1
UniProtKB/SwissProt

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n/an/a 11n/an/an/an/an/an/a



Hoffmann-La Roche Inc

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...

US Patent US9802944 (2017)


BindingDB Entry DOI: 10.7270/Q2SF2Z9M
More data for this
Ligand-Target Pair
Ataxin-2


(Homo sapiens (Human))		BDBM352374
PNG
(6-((3aS,6aS)-5-(5-Cyclopropyl-6-(tetrahydro-2H-pyr...)
Show SMILES O=C(N1C[C@H]2CN(C[C@@H]2C1)C(=O)c1cnc(OC2CCOCC2)c(c1)C1CC1)c1ccc2[nH]c(=O)oc2c1
UniProtKB/SwissProt

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n/an/a 12n/an/an/an/an/an/a



Hoffmann-La Roche Inc

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...

US Patent US9802944 (2017)


BindingDB Entry DOI: 10.7270/Q2SF2Z9M
More data for this
Ligand-Target Pair
Ataxin-2


(Homo sapiens (Human))		BDBM352358
PNG
(US9802944, Example 2.15)
Show SMILES O=C(N1C[C@H]2CN(C[C@@H]2C1)C(=O)c1cc(OCC2CCCOC2)nc(c1)C1CC1)c1ccc2[nH]nnc2c1
UniProtKB/SwissProt

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n/an/a 12n/an/an/an/an/an/a



Hoffmann-La Roche Inc

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...

US Patent US9802944 (2017)


BindingDB Entry DOI: 10.7270/Q2SF2Z9M
More data for this
Ligand-Target Pair
Ataxin-2


(Homo sapiens (Human))		BDBM352271
PNG
(5-((3aS,6aS)-5-(5-Cyclopropyl-6-(tetrahydro-2H-pyr...)
Show SMILES NS(=O)(=O)c1ccc(cn1)C(=O)N1C[C@H]2CN(C[C@@H]2C1)C(=O)c1cnc(OC2CCOCC2)c(c1)C1CC1
Show InChI InChI=1S/C26H31N5O6S/c27-38(34,35)23-4-3-17(10-28-23)25(32)30-12-19-14-31(15-20(19)13-30)26(33)18-9-22(16-1-2-16)24(29-11-18)37-21-5-7-36-8-6-21/h3-4,9-11,16,19-21H,1-2,5-8,12-15H2,(H2,27,34,35)/t19-,20-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



Hoffmann-La Roche Inc

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...

US Patent US9802944 (2017)


BindingDB Entry DOI: 10.7270/Q2SF2Z9M
More data for this
Ligand-Target Pair
Ataxin-2


(Homo sapiens (Human))		BDBM352271
PNG
(5-((3aS,6aS)-5-(5-Cyclopropyl-6-(tetrahydro-2H-pyr...)
Show SMILES NS(=O)(=O)c1ccc(cn1)C(=O)N1C[C@H]2CN(C[C@@H]2C1)C(=O)c1cnc(OC2CCOCC2)c(c1)C1CC1
Show InChI InChI=1S/C26H31N5O6S/c27-38(34,35)23-4-3-17(10-28-23)25(32)30-12-19-14-31(15-20(19)13-30)26(33)18-9-22(16-1-2-16)24(29-11-18)37-21-5-7-36-8-6-21/h3-4,9-11,16,19-21H,1-2,5-8,12-15H2,(H2,27,34,35)/t19-,20-/m0/s1
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n/an/a 14n/an/an/an/an/an/a



Hoffmann-La Roche Inc

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...

US Patent US9802944 (2017)


BindingDB Entry DOI: 10.7270/Q2SF2Z9M
More data for this
Ligand-Target Pair
Ataxin-2


(Homo sapiens (Human))		BDBM352271
PNG
(5-((3aS,6aS)-5-(5-Cyclopropyl-6-(tetrahydro-2H-pyr...)
Show SMILES NS(=O)(=O)c1ccc(cn1)C(=O)N1C[C@H]2CN(C[C@@H]2C1)C(=O)c1cnc(OC2CCOCC2)c(c1)C1CC1
Show InChI InChI=1S/C26H31N5O6S/c27-38(34,35)23-4-3-17(10-28-23)25(32)30-12-19-14-31(15-20(19)13-30)26(33)18-9-22(16-1-2-16)24(29-11-18)37-21-5-7-36-8-6-21/h3-4,9-11,16,19-21H,1-2,5-8,12-15H2,(H2,27,34,35)/t19-,20-/m0/s1
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n/an/a 14n/an/an/an/an/an/a



Hoffmann-La Roche Inc

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...

US Patent US9802944 (2017)


BindingDB Entry DOI: 10.7270/Q2SF2Z9M
More data for this
Ligand-Target Pair
Ataxin-2


(Homo sapiens (Human))		BDBM352369
PNG
(US9802944, Example 2.26)
Show SMILES O=C(N1C[C@H]2CN(C[C@H]2C1)C(=O)c1cc(OCC2CCOCC2)nc(c1)C1CC1)c1ccc2[nH]nnc2c1
UniProtKB/SwissProt

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n/an/a 14n/an/an/an/an/an/a



Hoffmann-La Roche Inc

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...

US Patent US9802944 (2017)


BindingDB Entry DOI: 10.7270/Q2SF2Z9M
More data for this
Ligand-Target Pair
Ataxin-2


(Homo sapiens (Human))		BDBM352271
PNG
(5-((3aS,6aS)-5-(5-Cyclopropyl-6-(tetrahydro-2H-pyr...)
Show SMILES NS(=O)(=O)c1ccc(cn1)C(=O)N1C[C@H]2CN(C[C@@H]2C1)C(=O)c1cnc(OC2CCOCC2)c(c1)C1CC1
Show InChI InChI=1S/C26H31N5O6S/c27-38(34,35)23-4-3-17(10-28-23)25(32)30-12-19-14-31(15-20(19)13-30)26(33)18-9-22(16-1-2-16)24(29-11-18)37-21-5-7-36-8-6-21/h3-4,9-11,16,19-21H,1-2,5-8,12-15H2,(H2,27,34,35)/t19-,20-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



Hoffmann-La Roche Inc

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...

US Patent US9802944 (2017)


BindingDB Entry DOI: 10.7270/Q2SF2Z9M
More data for this
Ligand-Target Pair
Ataxin-2


(Homo sapiens (Human))		BDBM352382
PNG
(((3aR,6aR)-5-(2-Cyclopropyl-6-((tetrahydro-2H-pyra...)
Show SMILES O=C(N1C[C@H]2CN(C[C@@H]2C1)C(=O)c1cc(OCC2CCOCC2)nc(c1)C1CC1)N1CCc2[nH]nnc2C1
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n/an/a 16n/an/an/an/an/an/a



Hoffmann-La Roche Inc

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...

US Patent US9802944 (2017)


BindingDB Entry DOI: 10.7270/Q2SF2Z9M
More data for this
Ligand-Target Pair
Ataxin-2


(Homo sapiens (Human))		BDBM352382
PNG
(((3aR,6aR)-5-(2-Cyclopropyl-6-((tetrahydro-2H-pyra...)
Show SMILES O=C(N1C[C@H]2CN(C[C@@H]2C1)C(=O)c1cc(OCC2CCOCC2)nc(c1)C1CC1)N1CCc2[nH]nnc2C1
UniProtKB/SwissProt

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n/an/a 16n/an/an/an/an/an/a



Hoffmann-La Roche Inc

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...

US Patent US9802944 (2017)


BindingDB Entry DOI: 10.7270/Q2SF2Z9M
More data for this
Ligand-Target Pair
Ataxin-2


(Homo sapiens (Human))		BDBM352341
PNG
(US9802944, Example 2.02)
Show SMILES O=C([C@@H]1CCc2[nH]nnc2C1)N1C[C@H]2CN(C[C@@H]2C1)C(=O)c1ccc(OC2CCOC2)c(c1)C1CC1
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n/an/a 17n/an/an/an/an/an/a



Hoffmann-La Roche Inc

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...

US Patent US9802944 (2017)


BindingDB Entry DOI: 10.7270/Q2SF2Z9M
More data for this
Ligand-Target Pair
Ataxin-2


(Homo sapiens (Human))		BDBM352359
PNG
(US9802944, Example 2.16)
Show SMILES O=C([C@@H]1CCc2[nH]nnc2C1)N1C[C@H]2CN(C[C@@H]2C1)C(=O)c1cc(OCC2CCCOC2)nc(c1)C1CC1
UniProtKB/SwissProt

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n/an/a 17n/an/an/an/an/an/a



Hoffmann-La Roche Inc

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...

US Patent US9802944 (2017)


BindingDB Entry DOI: 10.7270/Q2SF2Z9M
More data for this
Ligand-Target Pair
Ataxin-2


(Homo sapiens (Human))		BDBM352368
PNG
(US9802944, Example 2.25)
Show SMILES CN(C)c1cc(cc(OCC2CCOCC2)n1)C(=O)N1C[C@@H]2CN(C[C@H]2C1)C(=O)[C@@H]1CCc2[nH]nnc2C1
UniProtKB/SwissProt

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n/an/a 17n/an/an/an/an/an/a



Hoffmann-La Roche Inc

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...

US Patent US9802944 (2017)


BindingDB Entry DOI: 10.7270/Q2SF2Z9M
More data for this
Ligand-Target Pair
Ataxin-2


(Homo sapiens (Human))		BDBM352271
PNG
(5-((3aS,6aS)-5-(5-Cyclopropyl-6-(tetrahydro-2H-pyr...)
Show SMILES NS(=O)(=O)c1ccc(cn1)C(=O)N1C[C@H]2CN(C[C@@H]2C1)C(=O)c1cnc(OC2CCOCC2)c(c1)C1CC1
Show InChI InChI=1S/C26H31N5O6S/c27-38(34,35)23-4-3-17(10-28-23)25(32)30-12-19-14-31(15-20(19)13-30)26(33)18-9-22(16-1-2-16)24(29-11-18)37-21-5-7-36-8-6-21/h3-4,9-11,16,19-21H,1-2,5-8,12-15H2,(H2,27,34,35)/t19-,20-/m0/s1
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n/an/a 17n/an/an/an/an/an/a



Hoffmann-La Roche Inc

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...

US Patent US9802944 (2017)


BindingDB Entry DOI: 10.7270/Q2SF2Z9M
More data for this
Ligand-Target Pair
Ataxin-2


(Homo sapiens (Human))		BDBM352271
PNG
(5-((3aS,6aS)-5-(5-Cyclopropyl-6-(tetrahydro-2H-pyr...)
Show SMILES NS(=O)(=O)c1ccc(cn1)C(=O)N1C[C@H]2CN(C[C@@H]2C1)C(=O)c1cnc(OC2CCOCC2)c(c1)C1CC1
Show InChI InChI=1S/C26H31N5O6S/c27-38(34,35)23-4-3-17(10-28-23)25(32)30-12-19-14-31(15-20(19)13-30)26(33)18-9-22(16-1-2-16)24(29-11-18)37-21-5-7-36-8-6-21/h3-4,9-11,16,19-21H,1-2,5-8,12-15H2,(H2,27,34,35)/t19-,20-/m0/s1
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n/an/a 19n/an/an/an/an/an/a



Hoffmann-La Roche Inc

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...

US Patent US9802944 (2017)


BindingDB Entry DOI: 10.7270/Q2SF2Z9M
More data for this
Ligand-Target Pair
Ataxin-2


(Homo sapiens (Human))		BDBM352370
PNG
(US9802944, Example 2.27)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1C[C@H]2CN(C[C@H]2C1)C(=O)c1cc(OCC2CCOCC2)nc(c1)C1CC1
Show InChI InChI=1S/C28H34N4O6S/c29-39(35,36)24-5-3-20(4-6-24)27(33)31-13-22-15-32(16-23(22)14-31)28(34)21-11-25(19-1-2-19)30-26(12-21)38-17-18-7-9-37-10-8-18/h3-6,11-12,18-19,22-23H,1-2,7-10,13-17H2,(H2,29,35,36)/t22-,23+
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n/an/a 19n/an/an/an/an/an/a



Hoffmann-La Roche Inc

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...

US Patent US9802944 (2017)


BindingDB Entry DOI: 10.7270/Q2SF2Z9M
More data for this
Ligand-Target Pair
Ataxin-2


(Homo sapiens (Human))		BDBM352380
PNG
(6-(((3aS,6aS)-5-(5-Cyclopropyl-6-(tetrahydro-2H-py...)
Show SMILES O=C(N1C[C@@H]2CN(Cc3ccc4[nH]c(=O)oc4c3)C[C@H]2C1)c1cnc(OC2CCOCC2)c(c1)C1CC1
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n/an/a 19n/an/an/an/an/an/a



Hoffmann-La Roche Inc

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...

US Patent US9802944 (2017)


BindingDB Entry DOI: 10.7270/Q2SF2Z9M
More data for this
Ligand-Target Pair
Ataxin-2


(Homo sapiens (Human))		BDBM352271
PNG
(5-((3aS,6aS)-5-(5-Cyclopropyl-6-(tetrahydro-2H-pyr...)
Show SMILES NS(=O)(=O)c1ccc(cn1)C(=O)N1C[C@H]2CN(C[C@@H]2C1)C(=O)c1cnc(OC2CCOCC2)c(c1)C1CC1
Show InChI InChI=1S/C26H31N5O6S/c27-38(34,35)23-4-3-17(10-28-23)25(32)30-12-19-14-31(15-20(19)13-30)26(33)18-9-22(16-1-2-16)24(29-11-18)37-21-5-7-36-8-6-21/h3-4,9-11,16,19-21H,1-2,5-8,12-15H2,(H2,27,34,35)/t19-,20-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



Hoffmann-La Roche Inc

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...

US Patent US9802944 (2017)


BindingDB Entry DOI: 10.7270/Q2SF2Z9M
More data for this
Ligand-Target Pair
Ataxin-2


(Homo sapiens (Human))		BDBM352350
PNG
(US9802944, Example 2.07 | US9802944, Example 2.09)
Show SMILES O=C(N1C[C@H]2CN(C[C@@H]2C1)C(=O)c1cnc(OC2CCOCC2)c(c1)C1CC1)c1ccc2[nH]nnc2c1
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n/an/a 20n/an/an/an/an/an/a



Hoffmann-La Roche Inc

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...

US Patent US9802944 (2017)


BindingDB Entry DOI: 10.7270/Q2SF2Z9M
More data for this
Ligand-Target Pair
Ataxin-2


(Homo sapiens (Human))		BDBM352271
PNG
(5-((3aS,6aS)-5-(5-Cyclopropyl-6-(tetrahydro-2H-pyr...)
Show SMILES NS(=O)(=O)c1ccc(cn1)C(=O)N1C[C@H]2CN(C[C@@H]2C1)C(=O)c1cnc(OC2CCOCC2)c(c1)C1CC1
Show InChI InChI=1S/C26H31N5O6S/c27-38(34,35)23-4-3-17(10-28-23)25(32)30-12-19-14-31(15-20(19)13-30)26(33)18-9-22(16-1-2-16)24(29-11-18)37-21-5-7-36-8-6-21/h3-4,9-11,16,19-21H,1-2,5-8,12-15H2,(H2,27,34,35)/t19-,20-/m0/s1
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n/an/a 22n/an/an/an/an/an/a



Hoffmann-La Roche Inc

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...

US Patent US9802944 (2017)


BindingDB Entry DOI: 10.7270/Q2SF2Z9M
More data for this
Ligand-Target Pair
Ataxin-2


(Homo sapiens (Human))		BDBM352374
PNG
(6-((3aS,6aS)-5-(5-Cyclopropyl-6-(tetrahydro-2H-pyr...)
Show SMILES O=C(N1C[C@H]2CN(C[C@@H]2C1)C(=O)c1cnc(OC2CCOCC2)c(c1)C1CC1)c1ccc2[nH]c(=O)oc2c1
UniProtKB/SwissProt

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n/an/a 25n/an/an/an/an/an/a



Hoffmann-La Roche Inc

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...

US Patent US9802944 (2017)


BindingDB Entry DOI: 10.7270/Q2SF2Z9M
More data for this
Ligand-Target Pair
Ataxin-2


(Homo sapiens (Human))		BDBM352374
PNG
(6-((3aS,6aS)-5-(5-Cyclopropyl-6-(tetrahydro-2H-pyr...)
Show SMILES O=C(N1C[C@H]2CN(C[C@@H]2C1)C(=O)c1cnc(OC2CCOCC2)c(c1)C1CC1)c1ccc2[nH]c(=O)oc2c1
UniProtKB/SwissProt

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n/an/a 25n/an/an/an/an/an/a



Hoffmann-La Roche Inc

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...

US Patent US9802944 (2017)


BindingDB Entry DOI: 10.7270/Q2SF2Z9M
More data for this
Ligand-Target Pair
Ataxin-2


(Homo sapiens (Human))		BDBM352271
PNG
(5-((3aS,6aS)-5-(5-Cyclopropyl-6-(tetrahydro-2H-pyr...)
Show SMILES NS(=O)(=O)c1ccc(cn1)C(=O)N1C[C@H]2CN(C[C@@H]2C1)C(=O)c1cnc(OC2CCOCC2)c(c1)C1CC1
Show InChI InChI=1S/C26H31N5O6S/c27-38(34,35)23-4-3-17(10-28-23)25(32)30-12-19-14-31(15-20(19)13-30)26(33)18-9-22(16-1-2-16)24(29-11-18)37-21-5-7-36-8-6-21/h3-4,9-11,16,19-21H,1-2,5-8,12-15H2,(H2,27,34,35)/t19-,20-/m0/s1
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n/an/a 29n/an/an/an/an/an/a



Hoffmann-La Roche Inc

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...

US Patent US9802944 (2017)


BindingDB Entry DOI: 10.7270/Q2SF2Z9M
More data for this
Ligand-Target Pair
Ataxin-2


(Homo sapiens (Human))		BDBM352271
PNG
(5-((3aS,6aS)-5-(5-Cyclopropyl-6-(tetrahydro-2H-pyr...)
Show SMILES NS(=O)(=O)c1ccc(cn1)C(=O)N1C[C@H]2CN(C[C@@H]2C1)C(=O)c1cnc(OC2CCOCC2)c(c1)C1CC1
Show InChI InChI=1S/C26H31N5O6S/c27-38(34,35)23-4-3-17(10-28-23)25(32)30-12-19-14-31(15-20(19)13-30)26(33)18-9-22(16-1-2-16)24(29-11-18)37-21-5-7-36-8-6-21/h3-4,9-11,16,19-21H,1-2,5-8,12-15H2,(H2,27,34,35)/t19-,20-/m0/s1
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n/an/a 32n/an/an/an/an/an/a



Hoffmann-La Roche Inc

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...

US Patent US9802944 (2017)


BindingDB Entry DOI: 10.7270/Q2SF2Z9M
More data for this
Ligand-Target Pair
Ataxin-2


(Homo sapiens (Human))		BDBM352380
PNG
(6-(((3aS,6aS)-5-(5-Cyclopropyl-6-(tetrahydro-2H-py...)
Show SMILES O=C(N1C[C@@H]2CN(Cc3ccc4[nH]c(=O)oc4c3)C[C@H]2C1)c1cnc(OC2CCOCC2)c(c1)C1CC1
UniProtKB/SwissProt

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n/an/a 39n/an/an/an/an/an/a



Hoffmann-La Roche Inc

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...

US Patent US9802944 (2017)


BindingDB Entry DOI: 10.7270/Q2SF2Z9M
More data for this
Ligand-Target Pair
Ataxin-2


(Homo sapiens (Human))		BDBM352346
PNG
(US9802944, Example 2.04)
Show SMILES O=C(N1C[C@H]2CN(C[C@@H]2C1)C(=O)c1cnc(NC2CCOCC2)c(c1)C1CC1)c1ccc2[nH]nnc2c1
UniProtKB/SwissProt

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n/an/a 40n/an/an/an/an/an/a



Hoffmann-La Roche Inc

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...

US Patent US9802944 (2017)


BindingDB Entry DOI: 10.7270/Q2SF2Z9M
More data for this
Ligand-Target Pair
Ataxin-2


(Homo sapiens (Human))		BDBM352363
PNG
(US9802944, Example 2.20)
Show SMILES Clc1cc(cc(OCC2CCOCC2)n1)C(=O)N1C[C@@H]2CN(C[C@H]2C1)C(=O)c1ccc2[nH]nnc2c1
UniProtKB/SwissProt

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n/an/a 40n/an/an/an/an/an/a



Hoffmann-La Roche Inc

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...

US Patent US9802944 (2017)


BindingDB Entry DOI: 10.7270/Q2SF2Z9M
More data for this
Ligand-Target Pair
Ataxin-2


(Homo sapiens (Human))		BDBM352351
PNG
(US9802944, Example 2.08)
Show SMILES FC(F)(F)c1cc(cnc1OC1COC1)C(=O)N1C[C@@H]2CN(C[C@H]2C1)C(=O)c1ccc2[nH]nnc2c1
UniProtKB/SwissProt

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n/an/a 68.5n/an/an/an/an/an/a



Hoffmann-La Roche Inc

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...

US Patent US9802944 (2017)


BindingDB Entry DOI: 10.7270/Q2SF2Z9M
More data for this
Ligand-Target Pair
Ataxin-2


(Homo sapiens (Human))		BDBM352339
PNG
(4-((3aR,6aS)-5-(5-Cyclopropyl-6-(tetrahydro-2H-pyr...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1C[C@H]2CN(C[C@H]2C1)C(=O)c1cnc(OC2CCOCC2)c(c1)C1CC1
Show InChI InChI=1S/C27H32N4O6S/c28-38(34,35)23-5-3-18(4-6-23)26(32)30-13-20-15-31(16-21(20)14-30)27(33)19-11-24(17-1-2-17)25(29-12-19)37-22-7-9-36-10-8-22/h3-6,11-12,17,20-22H,1-2,7-10,13-16H2,(H2,28,34,35)/t20-,21+
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n/an/a 91n/an/an/an/an/an/a



Hoffmann-La Roche Inc

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...

US Patent US9802944 (2017)


BindingDB Entry DOI: 10.7270/Q2SF2Z9M
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%