Compile Data Set for Download or QSAR
Found 417 Enz. Inhib. hit(s) with Target = 'Ataxin-2'
TargetAtaxin-2(Homo sapiens (Human))
Hoffmann-La Roche Inc.

US Patent
LigandPNGBDBM258501(US10633384, Example 1.23 | US9493486, 1.23)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CC2(C1)CCN(CC2)C(=O)OCc1ccc(OC(F)(F)F)cc1F
Show InChI InChI=1S/C23H23F4N3O6S/c24-19-11-17(36-23(25,26)27)4-1-16(19)12-35-21(32)29-9-7-22(8-10-29)13-30(14-22)20(31)15-2-5-18(6-3-15)37(28,33)34/h1-6,11H,7-10,12-14H2,(H2,28,33,34)
Affinity DataIC50: 1nMAssay Description:ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAtaxin-2(Homo sapiens (Human))
Hoffmann-La Roche Inc.

US Patent
LigandPNGBDBM258574(US10633384, Example 12.36 | US9493486, 12.36)
Show SMILES Fc1cc(ccc1COC(=O)N1CCC2(CN(C2)C(=O)C2CCc3[nH]nnc3C2)CC1)C(F)(F)F
Affinity DataIC50: 1nMAssay Description:ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAtaxin-2(Homo sapiens (Human))
Hoffmann-La Roche Inc.

US Patent
LigandPNGBDBM258575(US10633384, Example 12.37 | US9493486, 12.37)
Show SMILES Cc1cc(OC(F)(F)F)ccc1COC(=O)N1CCC2(CN(C2)C(=O)C2CCc3[nH]nnc3C2)CC1
Affinity DataIC50: 1nMAssay Description:ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAtaxin-2(Homo sapiens (Human))
Hoffmann-La Roche Inc.

US Patent
LigandPNGBDBM258580(US10633384, Example 12.42 | US9493486, 12.42)
Show SMILES Fc1cc(OC(F)(F)F)ccc1COC(=O)N1CCC2(CN(C2)C(=O)C2CCc3[nH]nnc3C2)CC1
Affinity DataIC50: 1nMAssay Description:ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAtaxin-2(Homo sapiens (Human))
Hoffmann-La Roche Inc.

US Patent
LigandPNGBDBM258581(US10633384, Example 12.43 | US9493486, 12.43)
Show SMILES FC(F)(F)Oc1ccc(COC(=O)N2CCC3(CN(C3)C(=O)C3CCc4[nH]nnc4C3)CC2)cc1
Affinity DataIC50: 1nMAssay Description:ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAtaxin-2(Homo sapiens (Human))
Hoffmann-La Roche Inc.

US Patent
LigandPNGBDBM258585(US10633384, 13.01 | US9493486, 13.01)
Show SMILES Fc1cc(OC(F)(F)F)ccc1COC(=O)N1CCC2(CN(C2)C(=O)N2CCc3[nH]nnc3C2)CC1
Show InChI InChI=1S/C22H24F4N6O4/c23-16-9-15(36-22(24,25)26)2-1-14(16)11-35-20(34)30-7-4-21(5-8-30)12-32(13-21)19(33)31-6-3-17-18(10-31)28-29-27-17/h1-2,9H,3-8,10-13H2,(H,27,28,29)
Affinity DataIC50: 1nMAssay Description:ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAtaxin-2(Homo sapiens (Human))
Hoffmann-La Roche Inc.

US Patent
LigandPNGBDBM440743((?)-2-Fluoro-4-(trifluoromethoxy)benzyl 2-(4,5,6,7...)
Show SMILES Fc1cc(OC(F)(F)F)ccc1COC(=O)N1CCC2(CN(C2)C(=O)[C@H]2CCc3[nH]nnc3C2)CC1.Fc1cc(OC(F)(F)F)ccc1COC(=O)N1CCC2(CN(C2)C(=O)[C@@H]2CCc3[nH]nnc3C2)CC1
Show InChI InChI=1S/2C23H25F4N5O4/c2*24-17-10-16(36-23(25,26)27)3-1-15(17)11-35-21(34)31-7-5-22(6-8-31)12-32(13-22)20(33)14-2-4-18-19(9-14)29-30-28-18/h2*1,3,10,14H,2,4-9,11-13H2,(H,28,29,30)/t2*14-/m10/s1
Affinity DataIC50: 1nMAssay Description:ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAtaxin-2(Homo sapiens (Human))
Hoffmann-La Roche Inc.

US Patent
LigandPNGBDBM442689(US10647719, Example 1.00 | US10647719, Example 1.0...)
Show SMILES CC(C)(C)C(=O)Nc1cc(cnc1COC(=O)N1CC2=C(C1)CN(C2)C(=O)c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C26H28F3N5O6S/c1-25(2,3)23(36)32-20-8-18(26(27,28)29)9-31-21(20)14-40-24(37)34-12-16-10-33(11-17(16)13-34)22(35)15-4-6-19(7-5-15)41(30,38)39/h4-9H,10-14H2,1-3H3,(H,32,36)(H2,30,38,39)
Affinity DataIC50: 1nMAssay Description:Human carbonic anhydrase II (hCA-II) inhibition was measured by an absorbance method using 4-nitrophenyl acetate (4-NPA) as its substrate. 4-NPA can ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAtaxin-2(Homo sapiens (Human))
Hoffmann-La Roche Inc.

US Patent
LigandPNGBDBM442689(US10647719, Example 1.00 | US10647719, Example 1.0...)
Show SMILES CC(C)(C)C(=O)Nc1cc(cnc1COC(=O)N1CC2=C(C1)CN(C2)C(=O)c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C26H28F3N5O6S/c1-25(2,3)23(36)32-20-8-18(26(27,28)29)9-31-21(20)14-40-24(37)34-12-16-10-33(11-17(16)13-34)22(35)15-4-6-19(7-5-15)41(30,38)39/h4-9H,10-14H2,1-3H3,(H,32,36)(H2,30,38,39)
Affinity DataIC50: 1nMAssay Description:Human carbonic anhydrase II (hCA-II) inhibition was measured by an absorbance method using 4-nitrophenyl acetate (4-NPA) as its substrate. 4-NPA can ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAtaxin-2(Homo sapiens (Human))
Hoffmann-La Roche Inc.

US Patent
LigandPNGBDBM442689(US10647719, Example 1.00 | US10647719, Example 1.0...)
Show SMILES CC(C)(C)C(=O)Nc1cc(cnc1COC(=O)N1CC2=C(C1)CN(C2)C(=O)c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C26H28F3N5O6S/c1-25(2,3)23(36)32-20-8-18(26(27,28)29)9-31-21(20)14-40-24(37)34-12-16-10-33(11-17(16)13-34)22(35)15-4-6-19(7-5-15)41(30,38)39/h4-9H,10-14H2,1-3H3,(H,32,36)(H2,30,38,39)
Affinity DataIC50: 1nMAssay Description:Human carbonic anhydrase II (hCA-II) inhibition was measured by an absorbance method using 4-nitrophenyl acetate (4-NPA) as its substrate. 4-NPA can ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAtaxin-2(Homo sapiens (Human))
Hoffmann-La Roche Inc.

US Patent
LigandPNGBDBM442689(US10647719, Example 1.00 | US10647719, Example 1.0...)
Show SMILES CC(C)(C)C(=O)Nc1cc(cnc1COC(=O)N1CC2=C(C1)CN(C2)C(=O)c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C26H28F3N5O6S/c1-25(2,3)23(36)32-20-8-18(26(27,28)29)9-31-21(20)14-40-24(37)34-12-16-10-33(11-17(16)13-34)22(35)15-4-6-19(7-5-15)41(30,38)39/h4-9H,10-14H2,1-3H3,(H,32,36)(H2,30,38,39)
Affinity DataIC50: 1.20nMAssay Description:Human carbonic anhydrase II (hCA-II) inhibition was measured by an absorbance method using 4-nitrophenyl acetate (4-NPA) as its substrate. 4-NPA can ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAtaxin-2(Homo sapiens (Human))
Hoffmann-La Roche Inc.

US Patent
LigandPNGBDBM442718(US10647719, Example 2.00 | US10647719, Example 2.0...)
Show SMILES CC(C)(C)C(=O)Nc1cc(C#N)c(Cl)cc1COC(=O)N1CC2=C(C1)CN(C2)C(=O)c1ccc(cn1)S(N)(=O)=O
Show InChI InChI=1S/C26H27ClN6O6S/c1-26(2,3)24(35)31-22-7-15(8-28)20(27)6-16(22)14-39-25(36)33-12-17-10-32(11-18(17)13-33)23(34)21-5-4-19(9-30-21)40(29,37)38/h4-7,9H,10-14H2,1-3H3,(H,31,35)(H2,29,37,38)
Affinity DataIC50: 1.90nMAssay Description:Human carbonic anhydrase II (hCA-II) inhibition was measured by an absorbance method using 4-nitrophenyl acetate (4-NPA) as its substrate. 4-NPA can ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAtaxin-2(Homo sapiens (Human))
Hoffmann-La Roche Inc.

US Patent
LigandPNGBDBM241106(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)
Affinity DataIC50: 2nMAssay 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...More data for this Ligand-Target Pair
TargetAtaxin-2(Homo sapiens (Human))
Hoffmann-La Roche Inc.

US Patent
LigandPNGBDBM323247(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)
Affinity DataIC50: 2nMAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAtaxin-2(Homo sapiens (Human))
Hoffmann-La Roche Inc.

US Patent
LigandPNGBDBM258579(US10633384, Example 12.41 | US9493486, 12.41)
Show SMILES Fc1cc(OC(F)(F)F)ccc1COC(=O)N1CC2(C1)CCN(CC2)C(=O)C1CCc2[nH]nnc2C1
Affinity DataIC50: 2nMAssay Description:ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAtaxin-2(Homo sapiens (Human))
Hoffmann-La Roche Inc.

US Patent
LigandPNGBDBM442689(US10647719, Example 1.00 | US10647719, Example 1.0...)
Show SMILES CC(C)(C)C(=O)Nc1cc(cnc1COC(=O)N1CC2=C(C1)CN(C2)C(=O)c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C26H28F3N5O6S/c1-25(2,3)23(36)32-20-8-18(26(27,28)29)9-31-21(20)14-40-24(37)34-12-16-10-33(11-17(16)13-34)22(35)15-4-6-19(7-5-15)41(30,38)39/h4-9H,10-14H2,1-3H3,(H,32,36)(H2,30,38,39)
Affinity DataIC50: 2nMAssay Description:Human carbonic anhydrase II (hCA-II) inhibition was measured by an absorbance method using 4-nitrophenyl acetate (4-NPA) as its substrate. 4-NPA can ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAtaxin-2(Homo sapiens (Human))
Hoffmann-La Roche Inc.

US Patent
LigandPNGBDBM442689(US10647719, Example 1.00 | US10647719, Example 1.0...)
Show SMILES CC(C)(C)C(=O)Nc1cc(cnc1COC(=O)N1CC2=C(C1)CN(C2)C(=O)c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C26H28F3N5O6S/c1-25(2,3)23(36)32-20-8-18(26(27,28)29)9-31-21(20)14-40-24(37)34-12-16-10-33(11-17(16)13-34)22(35)15-4-6-19(7-5-15)41(30,38)39/h4-9H,10-14H2,1-3H3,(H,32,36)(H2,30,38,39)
Affinity DataIC50: 2nMAssay Description:Human carbonic anhydrase II (hCA-II) inhibition was measured by an absorbance method using 4-nitrophenyl acetate (4-NPA) as its substrate. 4-NPA can ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAtaxin-2(Homo sapiens (Human))
Hoffmann-La Roche Inc.

US Patent
LigandPNGBDBM442689(US10647719, Example 1.00 | US10647719, Example 1.0...)
Show SMILES CC(C)(C)C(=O)Nc1cc(cnc1COC(=O)N1CC2=C(C1)CN(C2)C(=O)c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C26H28F3N5O6S/c1-25(2,3)23(36)32-20-8-18(26(27,28)29)9-31-21(20)14-40-24(37)34-12-16-10-33(11-17(16)13-34)22(35)15-4-6-19(7-5-15)41(30,38)39/h4-9H,10-14H2,1-3H3,(H,32,36)(H2,30,38,39)
Affinity DataIC50: 2.30nMAssay Description:Human carbonic anhydrase II (hCA-II) inhibition was measured by an absorbance method using 4-nitrophenyl acetate (4-NPA) as its substrate. 4-NPA can ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAtaxin-2(Homo sapiens (Human))
Hoffmann-La Roche Inc.

US Patent
LigandPNGBDBM442689(US10647719, Example 1.00 | US10647719, Example 1.0...)
Show SMILES CC(C)(C)C(=O)Nc1cc(cnc1COC(=O)N1CC2=C(C1)CN(C2)C(=O)c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C26H28F3N5O6S/c1-25(2,3)23(36)32-20-8-18(26(27,28)29)9-31-21(20)14-40-24(37)34-12-16-10-33(11-17(16)13-34)22(35)15-4-6-19(7-5-15)41(30,38)39/h4-9H,10-14H2,1-3H3,(H,32,36)(H2,30,38,39)
Affinity DataIC50: 2.5nMAssay Description:Human carbonic anhydrase II (hCA-II) inhibition was measured by an absorbance method using 4-nitrophenyl acetate (4-NPA) as its substrate. 4-NPA can ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAtaxin-2(Homo sapiens (Human))
Hoffmann-La Roche Inc.

US Patent
LigandPNGBDBM258576(US10633384, Example 12.38 | US9493486, 12.38)
Show SMILES Fc1cc(OCC(F)(F)F)ccc1COC(=O)N1CCC2(CN(C2)C(=O)C2CCc3nn[nH]c3C2)CC1
Affinity DataIC50: 2.5nMAssay Description:ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAtaxin-2(Homo sapiens (Human))
Hoffmann-La Roche Inc.

US Patent
LigandPNGBDBM258578(US10633384, Example 12.40 | US9493486, 12.40)
Show SMILES Fc1cc(COC(=O)N2CCC3(CN(C3)C(=O)C3CCc4nn[nH]c4C3)CC2)ccc1OCC(F)(F)F
Affinity DataIC50: 2.5nMAssay Description:ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAtaxin-2(Homo sapiens (Human))
Hoffmann-La Roche Inc.

US Patent
LigandPNGBDBM241108(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)
Affinity DataIC50: 3nMAssay 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...More data for this Ligand-Target Pair
TargetAtaxin-2(Homo sapiens (Human))
Hoffmann-La Roche Inc.

US Patent
LigandPNGBDBM241153(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)
Affinity DataIC50: 3nMAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAtaxin-2(Homo sapiens (Human))
Hoffmann-La Roche Inc.

US Patent
LigandPNGBDBM352271(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
Affinity DataIC50: 3nMAssay Description:ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAtaxin-2(Homo sapiens (Human))
Hoffmann-La Roche Inc.

US Patent
LigandPNGBDBM352340(US11098048, Example 2.01 | 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
Affinity DataIC50: 3nMAssay Description:ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAtaxin-2(Homo sapiens (Human))
Hoffmann-La Roche Inc.

US Patent
LigandPNGBDBM352339(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+
Affinity DataIC50: 3nMAssay Description:ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAtaxin-2(Homo sapiens (Human))
Hoffmann-La Roche Inc.

US Patent
LigandPNGBDBM258584(US10633384, Example 13 | US9493486, 13)
Show SMILES FC(F)(F)Oc1ccc(COC(=O)N2CCC3(CN(C3)C(=O)N3CCc4[nH]nnc4C3)CC2)cc1
Show InChI InChI=1S/C22H25F3N6O4/c23-22(24,25)35-16-3-1-15(2-4-16)12-34-20(33)29-9-6-21(7-10-29)13-31(14-21)19(32)30-8-5-17-18(11-30)27-28-26-17/h1-4H,5-14H2,(H,26,27,28)
Affinity DataIC50: 3nMAssay Description:ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAtaxin-2(Homo sapiens (Human))
Hoffmann-La Roche Inc.

US Patent
LigandPNGBDBM352271(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
Affinity DataIC50: 3nMAssay Description:Assay working solutions were made as follows:Assay buffer (50 mM Tris-HCl, 140 mM NaCl, 5 mM KCl, 1 mM CaCl2, 1 mM MgCl2, 0.01% Triton-X-100, pH 8.0;...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAtaxin-2(Homo sapiens (Human))
Hoffmann-La Roche Inc.

US Patent
LigandPNGBDBM352339(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+
Affinity DataIC50: 3nMAssay Description:Assay working solutions were made as follows:Assay buffer (50 mM Tris-HCl, 140 mM NaCl, 5 mM KCl, 1 mM CaCl2, 1 mM MgCl2, 0.01% Triton-X-100, pH 8.0;...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAtaxin-2(Homo sapiens (Human))
Hoffmann-La Roche Inc.

US Patent
LigandPNGBDBM352339(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+
Affinity DataIC50: 3nMAssay Description:Assay working solutions were made as follows:Assay buffer (50 mM Tris-HCl, 140 mM NaCl, 5 mM KCl, 1 mM CaCl2, 1 mM MgCl2, 0.01% Triton-X-100, pH 8.0;...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAtaxin-2(Homo sapiens (Human))
Hoffmann-La Roche Inc.

US Patent
LigandPNGBDBM442689(US10647719, Example 1.00 | US10647719, Example 1.0...)
Show SMILES CC(C)(C)C(=O)Nc1cc(cnc1COC(=O)N1CC2=C(C1)CN(C2)C(=O)c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C26H28F3N5O6S/c1-25(2,3)23(36)32-20-8-18(26(27,28)29)9-31-21(20)14-40-24(37)34-12-16-10-33(11-17(16)13-34)22(35)15-4-6-19(7-5-15)41(30,38)39/h4-9H,10-14H2,1-3H3,(H,32,36)(H2,30,38,39)
Affinity DataIC50: 3nMAssay Description:Human carbonic anhydrase II (hCA-II) inhibition was measured by an absorbance method using 4-nitrophenyl acetate (4-NPA) as its substrate. 4-NPA can ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAtaxin-2(Homo sapiens (Human))
Hoffmann-La Roche Inc.

US Patent
LigandPNGBDBM442689(US10647719, Example 1.00 | US10647719, Example 1.0...)
Show SMILES CC(C)(C)C(=O)Nc1cc(cnc1COC(=O)N1CC2=C(C1)CN(C2)C(=O)c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C26H28F3N5O6S/c1-25(2,3)23(36)32-20-8-18(26(27,28)29)9-31-21(20)14-40-24(37)34-12-16-10-33(11-17(16)13-34)22(35)15-4-6-19(7-5-15)41(30,38)39/h4-9H,10-14H2,1-3H3,(H,32,36)(H2,30,38,39)
Affinity DataIC50: 3nMAssay Description:Human carbonic anhydrase II (hCA-II) inhibition was measured by an absorbance method using 4-nitrophenyl acetate (4-NPA) as its substrate. 4-NPA can ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAtaxin-2(Homo sapiens (Human))
Hoffmann-La Roche Inc.

US Patent
LigandPNGBDBM442740(US10647719, Example 4.00 | US10647719, Example 4.0...)
Show SMILES Cc1nnn(Cc2cc(ccc2CCC(=O)N2CC3=C(C2)CN(C3)C(=O)c2ncc(cc2F)S(N)(=O)=O)C(F)(F)F)n1
Show InChI InChI=1S/C25H24F4N8O4S/c1-14-32-34-37(33-14)13-16-6-19(25(27,28)29)4-2-15(16)3-5-22(38)35-9-17-11-36(12-18(17)10-35)24(39)23-21(26)7-20(8-31-23)42(30,40)41/h2,4,6-8H,3,5,9-13H2,1H3,(H2,30,40,41)
Affinity DataIC50: 3.60nMAssay Description:Human carbonic anhydrase II (hCA-II) inhibition was measured by an absorbance method using 4-nitrophenyl acetate (4-NPA) as its substrate. 4-NPA can ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAtaxin-2(Homo sapiens (Human))
Hoffmann-La Roche Inc.

US Patent
LigandPNGBDBM442740(US10647719, Example 4.00 | US10647719, Example 4.0...)
Show SMILES Cc1nnn(Cc2cc(ccc2CCC(=O)N2CC3=C(C2)CN(C3)C(=O)c2ncc(cc2F)S(N)(=O)=O)C(F)(F)F)n1
Show InChI InChI=1S/C25H24F4N8O4S/c1-14-32-34-37(33-14)13-16-6-19(25(27,28)29)4-2-15(16)3-5-22(38)35-9-17-11-36(12-18(17)10-35)24(39)23-21(26)7-20(8-31-23)42(30,40)41/h2,4,6-8H,3,5,9-13H2,1H3,(H2,30,40,41)
Affinity DataIC50: 3.80nMAssay Description:Human carbonic anhydrase II (hCA-II) inhibition was measured by an absorbance method using 4-nitrophenyl acetate (4-NPA) as its substrate. 4-NPA can ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAtaxin-2(Homo sapiens (Human))
Hoffmann-La Roche Inc.

US Patent
LigandPNGBDBM241109(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)
Affinity DataIC50: 4nMAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAtaxin-2(Homo sapiens (Human))
Hoffmann-La Roche Inc.

US Patent
LigandPNGBDBM241156(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)
Affinity DataIC50: 4nMAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAtaxin-2(Homo sapiens (Human))
Hoffmann-La Roche Inc.

US Patent
LigandPNGBDBM241157(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)
Affinity DataIC50: 4nMAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAtaxin-2(Homo sapiens (Human))
Hoffmann-La Roche Inc.

US Patent
LigandPNGBDBM352271(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
Affinity DataIC50: 4nMAssay Description:ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAtaxin-2(Homo sapiens (Human))
Hoffmann-La Roche Inc.

US Patent
LigandPNGBDBM352271(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
Affinity DataIC50: 4nMAssay Description:Assay working solutions were made as follows:Assay buffer (50 mM Tris-HCl, 140 mM NaCl, 5 mM KCl, 1 mM CaCl2, 1 mM MgCl2, 0.01% Triton-X-100, pH 8.0;...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAtaxin-2(Homo sapiens (Human))
Hoffmann-La Roche Inc.

US Patent
LigandPNGBDBM442689(US10647719, Example 1.00 | US10647719, Example 1.0...)
Show SMILES CC(C)(C)C(=O)Nc1cc(cnc1COC(=O)N1CC2=C(C1)CN(C2)C(=O)c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C26H28F3N5O6S/c1-25(2,3)23(36)32-20-8-18(26(27,28)29)9-31-21(20)14-40-24(37)34-12-16-10-33(11-17(16)13-34)22(35)15-4-6-19(7-5-15)41(30,38)39/h4-9H,10-14H2,1-3H3,(H,32,36)(H2,30,38,39)
Affinity DataIC50: 4nMAssay Description:Human carbonic anhydrase II (hCA-II) inhibition was measured by an absorbance method using 4-nitrophenyl acetate (4-NPA) as its substrate. 4-NPA can ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAtaxin-2(Homo sapiens (Human))
Hoffmann-La Roche Inc.

US Patent
LigandPNGBDBM442689(US10647719, Example 1.00 | US10647719, Example 1.0...)
Show SMILES CC(C)(C)C(=O)Nc1cc(cnc1COC(=O)N1CC2=C(C1)CN(C2)C(=O)c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C26H28F3N5O6S/c1-25(2,3)23(36)32-20-8-18(26(27,28)29)9-31-21(20)14-40-24(37)34-12-16-10-33(11-17(16)13-34)22(35)15-4-6-19(7-5-15)41(30,38)39/h4-9H,10-14H2,1-3H3,(H,32,36)(H2,30,38,39)
Affinity DataIC50: 4nMAssay Description:Human carbonic anhydrase II (hCA-II) inhibition was measured by an absorbance method using 4-nitrophenyl acetate (4-NPA) as its substrate. 4-NPA can ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAtaxin-2(Homo sapiens (Human))
Hoffmann-La Roche Inc.

US Patent
LigandPNGBDBM442689(US10647719, Example 1.00 | US10647719, Example 1.0...)
Show SMILES CC(C)(C)C(=O)Nc1cc(cnc1COC(=O)N1CC2=C(C1)CN(C2)C(=O)c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C26H28F3N5O6S/c1-25(2,3)23(36)32-20-8-18(26(27,28)29)9-31-21(20)14-40-24(37)34-12-16-10-33(11-17(16)13-34)22(35)15-4-6-19(7-5-15)41(30,38)39/h4-9H,10-14H2,1-3H3,(H,32,36)(H2,30,38,39)
Affinity DataIC50: 4.20nMAssay Description:Human carbonic anhydrase II (hCA-II) inhibition was measured by an absorbance method using 4-nitrophenyl acetate (4-NPA) as its substrate. 4-NPA can ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAtaxin-2(Homo sapiens (Human))
Hoffmann-La Roche Inc.

US Patent
LigandPNGBDBM352339(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+
Affinity DataIC50: 4.5nMAssay Description:Assay working solutions were made as follows:Assay buffer (50 mM Tris-HCl, 140 mM NaCl, 5 mM KCl, 1 mM CaCl2, 1 mM MgCl2, 0.01% Triton-X-100, pH 8.0;...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAtaxin-2(Homo sapiens (Human))
Hoffmann-La Roche Inc.

US Patent
LigandPNGBDBM352349(US11098048, Example 2.06 | 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
Affinity DataIC50: 4.5nMAssay Description:ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAtaxin-2(Homo sapiens (Human))
Hoffmann-La Roche Inc.

US Patent
LigandPNGBDBM258573(US10633384, Example 12.35 | US9493486, 12.35)
Show SMILES FC(F)(F)c1ccc(COC(=O)N2CCC3(CN(C3)C(=O)C3CCC4NN=NC4C3)CC2)cc1
Show InChI InChI=1S/C23H28F3N5O3/c24-23(25,26)17-4-1-15(2-5-17)12-34-21(33)30-9-7-22(8-10-30)13-31(14-22)20(32)16-3-6-18-19(11-16)28-29-27-18/h1-2,4-5,16,18-19H,3,6-14H2,(H,27,28)
Affinity DataIC50: 4.5nMAssay Description:ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAtaxin-2(Homo sapiens (Human))
Hoffmann-La Roche Inc.

US Patent
LigandPNGBDBM241152(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)
Affinity DataIC50: 5nMAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAtaxin-2(Homo sapiens (Human))
Hoffmann-La Roche Inc.

US Patent
LigandPNGBDBM323244(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)
Affinity DataIC50: 5nMAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAtaxin-2(Homo sapiens (Human))
Hoffmann-La Roche Inc.

US Patent
LigandPNGBDBM352271(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
Affinity DataIC50: 5nMAssay Description:ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAtaxin-2(Homo sapiens (Human))
Hoffmann-La Roche Inc.

US Patent
LigandPNGBDBM352271(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
Affinity DataIC50: 5nMAssay Description:ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAtaxin-2(Homo sapiens (Human))
Hoffmann-La Roche Inc.

US Patent
LigandPNGBDBM352366(US11098048, Example 2.23 | 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
Affinity DataIC50: 5nMAssay Description:ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
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