Compile Data Set for Download or QSAR

Found 1104 hits of ic50 for UniProtKB: P54253   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Ataxin-1 (Homo sapiens (Human))	BDBM446120 ((E)-1-((3aR,8aS)-2-(1H-benzo[d][1,2,3]triazole-5-c...) Show SMILES Fc1cc(\C=C\C(=O)N2CC[C@@H]3CN(C[C@@H]3CC2)C(=O)c2ccc3[nH]nnc3c2)ccc1OC(F)(F)F |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/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 US10669268 (2020) BindingDB Entry DOI: 10.7270/Q2R78J83
					More data for this Ligand-Target Pair
Ataxin-1 (Homo sapiens (Human))	BDBM477064 (US10882857, Example 4.02 | US11673888, Example 4.0...) Show SMILES CC(C)(C)C(=O)Nc1cc(cnc1COC(=O)N1Cc2cc(sc2C1)C(=O)N1CCC(CC1)S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C25H30F3N5O6S2/c1-24(2,3)22(35)31-17-9-15(25(26,27)28)10-30-18(17)13-39-23(36)33-11-14-8-19(40-20(14)12-33)21(34)32-6-4-16(5-7-32)41(29,37)38/h8-10,16H,4-7,11-13H2,1-3H3,(H,31,35)(H2,29,37,38)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2NV9P52
					More data for this Ligand-Target Pair
Ataxin-1 (Homo sapiens (Human))	BDBM446431 (1-[(3aS,6aS)-5-[(5R)-4,5,6,7-tetrahydro-1H-benzotr...) Show SMILES CC(C)(C)c1cc(Br)ccc1OCC(=O)N1C[C@@H]2CN(C[C@H]2C1)C(=O)[C@@H]1CCc2[nH]nnc2C1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/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 US10669268 (2020) BindingDB Entry DOI: 10.7270/Q2R78J83
					More data for this Ligand-Target Pair
Ataxin-1 (Homo sapiens (Human))	BDBM477062 (US10882857, Example 4 | US11673888, Example 4 | [3...) Show SMILES CC(C)(C)C(=O)Nc1cc(cnc1COC(=O)N1Cc2nc(oc2C1)C(=O)N1CCc2[nH]nnc2C1)C(F)(F)F Show InChI InChI=1S/C24H25F3N8O5/c1-23(2,3)21(37)30-14-6-12(24(25,26)27)7-28-17(14)11-39-22(38)35-9-16-18(10-35)40-19(29-16)20(36)34-5-4-13-15(8-34)32-33-31-13/h6-7H,4-5,8-11H2,1-3H3,(H,30,37)(H,31,32,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2NV9P52
					More data for this Ligand-Target Pair
Ataxin-1 (Homo sapiens (Human))	BDBM477058 (US10882857, Example 2.06 | US11673888, Example 2.0...) Show SMILES CC(C)(C)C(=O)Nc1cc(cnc1COC(=O)N1Cc2nc(oc2C1)C(=O)N1CCC(CC1)S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C24H29F3N6O7S/c1-23(2,3)21(35)31-15-8-13(24(25,26)27)9-29-17(15)12-39-22(36)33-10-16-18(11-33)40-19(30-16)20(34)32-6-4-14(5-7-32)41(28,37)38/h8-9,14H,4-7,10-12H2,1-3H3,(H,31,35)(H2,28,37,38)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2NV9P52
					More data for this Ligand-Target Pair
Ataxin-1 (Homo sapiens (Human))	BDBM511524 (US11059794, Example 4.00) Show SMILES Cc1nnn(Cc2cc(ccc2CCC(=O)N2CCN(CC2)C(=O)c2c(F)cc(cc2F)S(N)(=O)=O)C(F)(F)F)n1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...				Citation and Details BindingDB Entry DOI: 10.7270/Q2KW5K51
					More data for this Ligand-Target Pair
Ataxin-1 (Homo sapiens (Human))	BDBM511585 (US11059794, Example 6.45 | tert-butyl 4-[2-[(5-sul...) Show SMILES Cc1nnn(Cc2cc(ccc2CCC(=O)N2CCC(CCS(=O)(=O)c3ncc(s3)S(N)(=O)=O)CC2)C(F)(F)F)n1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...				Citation and Details BindingDB Entry DOI: 10.7270/Q2KW5K51
					More data for this Ligand-Target Pair
Ataxin-1 (Homo sapiens (Human))	BDBM511581 (US11059794, Example 6.41 | tert-butyl 4-(2-fluoro-...) Show SMILES Cc1nnn(Cc2cc(OC(F)F)ccc2CCC(=O)N2CCC(CC2)S(=O)(=O)c2ccc(cc2F)S(N)(=O)=O)n1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...				Citation and Details BindingDB Entry DOI: 10.7270/Q2KW5K51
					More data for this Ligand-Target Pair
Ataxin-1 (Homo sapiens (Human))	BDBM511579 (US11059794, Example 6.39 | tert-butyl 4-(3-fluoro-...) Show SMILES Cc1nnn(Cc2cc(ccc2CCC(=O)N2CCC(CC2)Sc2ncc(cc2F)S(N)(=O)=O)C(F)(F)F)n1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...				Citation and Details BindingDB Entry DOI: 10.7270/Q2KW5K51
					More data for this Ligand-Target Pair
Ataxin-1 (Homo sapiens (Human))	BDBM511578 (US11059794, Example 6.38 | tert-butyl 4-[2-(5- sul...) Show SMILES Cc1nnn(Cc2cc(ccc2CCC(=O)N2CCC(CCS(=O)(=O)c3ccc(s3)S(N)(=O)=O)CC2)C(F)(F)F)n1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...				Citation and Details BindingDB Entry DOI: 10.7270/Q2KW5K51
					More data for this Ligand-Target Pair
Ataxin-1 (Homo sapiens (Human))	BDBM511567 (US11059794, Example 6.27 | tert-butyl 4-(2,3-diflu...) Show SMILES NS(=O)(=O)c1ccc(c(F)c1F)S(=O)(=O)C1CCN(CC1)C(=O)c1cc(OCC2CCOCC2)nc(c1)C1CC1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...				Citation and Details BindingDB Entry DOI: 10.7270/Q2KW5K51
					More data for this Ligand-Target Pair
Ataxin-1 (Homo sapiens (Human))	BDBM511558 (US11059794, Example 6.18 | tert-butyl 4-[2-(2-fluo...) Show SMILES NS(=O)(=O)c1ccc(c(F)c1)S(=O)(=O)CCC1CCN(CC1)C(=O)c1cnc(OCC(F)(F)F)c(c1)C(F)(F)F Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...				Citation and Details BindingDB Entry DOI: 10.7270/Q2KW5K51
					More data for this Ligand-Target Pair
Ataxin-1 (Homo sapiens (Human))	BDBM475790 (US10849881, Example 1.063 | [6-(4-chloro-phenyl)-p...) Show SMILES Clc1ccc(cc1)-c1ccc(cn1)C(=O)N1C[C@H]2[C@@H]3CN(C[C@@H]3[C@H]2C1)C(=O)[C@@H]1CCc2[nH]nnc2C1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/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 US10849881 (2020) BindingDB Entry DOI: 10.7270/Q26976PP
					More data for this Ligand-Target Pair
Ataxin-1 (Homo sapiens (Human))	BDBM475791 ((1-cyclopropylmethoxy-isoquinolin-3-yl)- [(3aR,3bS...) Show SMILES O=C([C@@H]1CCc2[nH]nnc2C1)N1C[C@H]2[C@@H](C1)[C@@H]1CN(C[C@H]21)C(=O)c1cc2ccccc2c(OCC2CC2)n1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/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 US10849881 (2020) BindingDB Entry DOI: 10.7270/Q26976PP
					More data for this Ligand-Target Pair
Ataxin-1 (Homo sapiens (Human))	BDBM467326 (US10800786, Example 2.01) Show SMILES Oc1noc2CN(CCc12)C(=O)N1CC2=C(C1)CN(C2)C(=O)c1cc(OCC2CCOCC2)nc(c1)C1CC1 |c:16| Show InChI InChI=1S/C28H33N5O6/c34-26-22-3-6-31(15-24(22)39-30-26)28(36)33-13-20-11-32(12-21(20)14-33)27(35)19-9-23(18-1-2-18)29-25(10-19)38-16-17-4-7-37-8-5-17/h9-10,17-18H,1-8,11-16H2,(H,30,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Hoffman-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 US10800786 (2020) BindingDB Entry DOI: 10.7270/Q2RN3BZT
					More data for this Ligand-Target Pair
Ataxin-1 (Homo sapiens (Human))	BDBM467343 (US10800786, Example 2.15) Show SMILES Oc1noc2CN(CCc12)C(=O)N1CC2=C(C1)CN(C2)C(=O)c1cc(OCC2CCCCC2)nc(c1)C1CC1 |c:16| Show InChI InChI=1S/C29H35N5O5/c35-27-23-8-9-32(16-25(23)39-31-27)29(37)34-14-21-12-33(13-22(21)15-34)28(36)20-10-24(19-6-7-19)30-26(11-20)38-17-18-4-2-1-3-5-18/h10-11,18-19H,1-9,12-17H2,(H,31,35)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Hoffman-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 US10800786 (2020) BindingDB Entry DOI: 10.7270/Q2RN3BZT
					More data for this Ligand-Target Pair
Ataxin-1 (Homo sapiens (Human))	BDBM467346 (US10800786, Example 5.00) Show SMILES O=C(N1CC2=C(CN(Cc3ccc4[nH]c(=O)oc4c3)C2)C1)c1cc(OCC2CCOCC2)nc(c1)C1CC1 |t:4| Show InChI InChI=1S/C29H32N4O5/c34-28(21-10-25(20-2-3-20)30-27(11-21)37-17-18-5-7-36-8-6-18)33-15-22-13-32(14-23(22)16-33)12-19-1-4-24-26(9-19)38-29(35)31-24/h1,4,9-11,18,20H,2-3,5-8,12-17H2,(H,31,35)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Hoffman-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 US10800786 (2020) BindingDB Entry DOI: 10.7270/Q2RN3BZT
					More data for this Ligand-Target Pair
Ataxin-1 (Homo sapiens (Human))	BDBM50187688 (CHEMBL3828650 | US10913745, Example 1.11) Show SMILES [H][C@]12CN(C[C@]1([H])CN(C2)C(=O)c1ccc(c(F)c1)S(N)(=O)=O)C(=O)OCc1ccc(OC(F)(F)F)cc1 |r| Show InChI InChI=1S/C22H21F4N3O6S/c23-18-7-14(3-6-19(18)36(27,32)33)20(30)28-8-15-10-29(11-16(15)9-28)21(31)34-12-13-1-4-17(5-2-13)35-22(24,25)26/h1-7,15-16H,8-12H2,(H2,27,32,33)/t15-,16-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description 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;ATX solution: ATX (human His-tagged) stock so...				US Patent US10913745 (2021) BindingDB Entry DOI: 10.7270/Q2NP27HS
					More data for this Ligand-Target Pair
Ataxin-1 (Homo sapiens (Human))	BDBM481899 (US10913745, Example 1.13 | US10913745, Example 1.1...) Show SMILES NS(=O)(=O)c1ccc(nc1)C(=O)N1C[C@H]2CN(C[C@@H]2C1)C(=O)OCc1ccc(OC(F)(F)F)cc1 |r| Show InChI InChI=1S/C21H21F3N4O6S/c22-21(23,24)34-16-3-1-13(2-4-16)12-33-20(30)28-10-14-8-27(9-15(14)11-28)19(29)18-6-5-17(7-26-18)35(25,31)32/h1-7,14-15H,8-12H2,(H2,25,31,32)/t14-,15-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description 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;ATX solution: ATX (human His-tagged) stock so...				US Patent US10913745 (2021) BindingDB Entry DOI: 10.7270/Q2NP27HS
					More data for this Ligand-Target Pair
Ataxin-1 (Homo sapiens (Human))	BDBM481899 (US10913745, Example 1.13 | US10913745, Example 1.1...) Show SMILES NS(=O)(=O)c1ccc(nc1)C(=O)N1C[C@H]2CN(C[C@@H]2C1)C(=O)OCc1ccc(OC(F)(F)F)cc1 |r| Show InChI InChI=1S/C21H21F3N4O6S/c22-21(23,24)34-16-3-1-13(2-4-16)12-33-20(30)28-10-14-8-27(9-15(14)11-28)19(29)18-6-5-17(7-26-18)35(25,31)32/h1-7,14-15H,8-12H2,(H2,25,31,32)/t14-,15-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description 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;ATX solution: ATX (human His-tagged) stock so...				US Patent US10913745 (2021) BindingDB Entry DOI: 10.7270/Q2NP27HS
					More data for this Ligand-Target Pair
Ataxin-1 (Homo sapiens (Human))	BDBM481920 (US10913745, Example 7.01) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1C[C@@H]2CN(C[C@@H]2C1)C(=O)OCc1ccc(OC(F)(F)F)cc1F |r| Show InChI InChI=1S/C22H21F4N3O6S/c23-19-7-17(35-22(24,25)26)4-1-14(19)12-34-21(31)29-10-15-8-28(9-16(15)11-29)20(30)13-2-5-18(6-3-13)36(27,32)33/h1-7,15-16H,8-12H2,(H2,27,32,33)/t15-,16+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description 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;ATX solution: ATX (human His-tagged) stock so...				US Patent US10913745 (2021) BindingDB Entry DOI: 10.7270/Q2NP27HS
					More data for this Ligand-Target Pair
Ataxin-1 (Homo sapiens (Human))	BDBM481930 (US10913745, Example 8.07) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1C[C@@H]2CN(C[C@@H]2C1)C(=O)CCc1ccc(OC(F)(F)F)cc1F |r| Show InChI InChI=1S/C23H23F4N3O5S/c24-20-9-18(35-23(25,26)27)5-1-14(20)4-8-21(31)29-10-16-12-30(13-17(16)11-29)22(32)15-2-6-19(7-3-15)36(28,33)34/h1-3,5-7,9,16-17H,4,8,10-13H2,(H2,28,33,34)/t16-,17+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description 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;ATX solution: ATX (human His-tagged) stock so...				US Patent US10913745 (2021) BindingDB Entry DOI: 10.7270/Q2NP27HS
					More data for this Ligand-Target Pair
Ataxin-1 (Homo sapiens (Human))	BDBM481932 (US10913745, Example 8.09) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1C[C@H]2CN(C[C@@H]2C1)C(=O)CCc1ccc(OC(F)(F)F)cc1F |r| Show InChI InChI=1S/C23H23F4N3O5S/c24-20-9-18(35-23(25,26)27)5-1-14(20)4-8-21(31)29-10-16-12-30(13-17(16)11-29)22(32)15-2-6-19(7-3-15)36(28,33)34/h1-3,5-7,9,16-17H,4,8,10-13H2,(H2,28,33,34)/t16-,17-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description 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;ATX solution: ATX (human His-tagged) stock so...				US Patent US10913745 (2021) BindingDB Entry DOI: 10.7270/Q2NP27HS
					More data for this Ligand-Target Pair
Ataxin-1 (Homo sapiens (Human))	BDBM511530 (4-(piperidin-4- ylmethyl)benzenesulfonamide hydroc...) Show SMILES NS(=O)(=O)c1ccc(CC2CCN(CC2)C(=O)c2cc(OCC3CCOCC3)nc(c2)C2CC2)cc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...				Citation and Details BindingDB Entry DOI: 10.7270/Q2KW5K51
					More data for this Ligand-Target Pair
Ataxin-1 (Homo sapiens (Human))	BDBM511538 (US11059794, Example 6.00) Show SMILES Cc1nnn(Cc2cc(ccc2CCC(=O)N2CCC(CC2)Sc2ccc(c(F)c2F)S(N)(=O)=O)C(F)(F)F)n1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...				Citation and Details BindingDB Entry DOI: 10.7270/Q2KW5K51
					More data for this Ligand-Target Pair
Ataxin-1 (Homo sapiens (Human))	BDBM511541 (US11059794, Example 6.03 | tert-butyl 4-[2-(2,3-di...) Show SMILES Cc1nnn(Cc2cc(ccc2CCC(=O)N2CCC(CCS(=O)(=O)c3ccc(c(F)c3F)S(N)(=O)=O)CC2)C(F)(F)F)n1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...				Citation and Details BindingDB Entry DOI: 10.7270/Q2KW5K51
					More data for this Ligand-Target Pair
Ataxin-1 (Homo sapiens (Human))	BDBM511551 (US11059794, Example 6.13 | tert-butyl 4-(2-fluoro-...) Show SMILES Cc1nnn(Cc2cc(ccc2CCC(=O)N2CCC(CC2)S(=O)c2ccc(cc2F)S(N)(=O)=O)C(F)(F)F)n1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...				Citation and Details BindingDB Entry DOI: 10.7270/Q2KW5K51
					More data for this Ligand-Target Pair
Ataxin-1 (Homo sapiens (Human))	BDBM475786 ((4-isopropoxy-naphthalen-2-yl)- [(3aR,3bS,6aR,6bS)...) Show SMILES CC(C)Oc1cc(cc2ccccc12)C(=O)N1C[C@H]2[C@@H]3CN(C[C@@H]3[C@H]2C1)C(=O)[C@@H]1CCc2[nH]nnc2C1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/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 US10849881 (2020) BindingDB Entry DOI: 10.7270/Q26976PP
					More data for this Ligand-Target Pair
Ataxin-1 (Homo sapiens (Human))	BDBM475941 (US10865195, Compound 6) Show SMILES C[C@@H]1CN(Cc2coc(CF)n2)CCN1C(=O)\C=C\c1ccc(cc1Cn1nnc(C)n1)C(F)(F)F |r| Show InChI InChI=1S/C23H25F4N7O2/c1-15-11-32(13-20-14-36-21(10-24)28-20)7-8-33(15)22(35)6-4-17-3-5-19(23(25,26)27)9-18(17)12-34-30-16(2)29-31-34/h3-6,9,14-15H,7-8,10-13H2,1-2H3/b6-4+/t15-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/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 US10865195 (2020) BindingDB Entry DOI: 10.7270/Q2BV7KQF
					More data for this Ligand-Target Pair
Ataxin-1 (Homo sapiens (Human))	BDBM50557594 (CHEMBL4788435 | US11485727, Example 1.3) Show SMILES CC(=O)N1CCN(CC1)c1ccc(CNc2ccc(OCc3ccc(nc3)C(F)F)nn2)cc1F Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description 5 nM recombinant ATX (Cayman Chemicals) was supplemented to 50 mM Tris buffer (pH 8.0) containing 3 mM KCl, 1 mM CaCl2, 1 mM MgCl2 0.14 mM NaCl, and ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2X06BXH
					More data for this Ligand-Target Pair
Ataxin-1 (Homo sapiens (Human))	BDBM481931 (US10913745, Example 8.08) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1C[C@@H]2CN(C[C@@H]2C1)C(=O)CCc1ccc(OC(F)(F)F)cc1 |r| Show InChI InChI=1S/C23H24F3N3O5S/c24-23(25,26)34-19-6-1-15(2-7-19)3-10-21(30)28-11-17-13-29(14-18(17)12-28)22(31)16-4-8-20(9-5-16)35(27,32)33/h1-2,4-9,17-18H,3,10-14H2,(H2,27,32,33)/t17-,18+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description 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;ATX solution: ATX (human His-tagged) stock so...				US Patent US10913745 (2021) BindingDB Entry DOI: 10.7270/Q2NP27HS
					More data for this Ligand-Target Pair
Ataxin-1 (Homo sapiens (Human))	BDBM622503 (US20230312582, Example Compound Formula (I)) Show SMILES C[C@H](Cc1cnn[nH]1)OCC(=O)N1Cc2cnc(NC3Cc4ccccc4C3)nc2C1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1.59	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Ataxin-1 (Homo sapiens (Human))	BDBM50557595 (CHEMBL4745566 | US11485727, Example 1.7) Show SMILES CC(=O)N1CCN(CC1(C)C)c1ccc(CNc2ccc(OCc3ccc(nc3)C(F)F)nn2)cc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description 5 nM recombinant ATX (Cayman Chemicals) was supplemented to 50 mM Tris buffer (pH 8.0) containing 3 mM KCl, 1 mM CaCl2, 1 mM MgCl2 0.14 mM NaCl, and ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2X06BXH
					More data for this Ligand-Target Pair
Ataxin-1 (Homo sapiens (Human))	BDBM50557599 (CHEMBL4751395 | US11485727, Example 2.10) Show SMILES FC(F)c1ccc(COc2ccc(NCc3ccc(cc3)N3CCN(CC3)C3COC3)nn2)cn1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description 5 nM recombinant ATX (Cayman Chemicals) was supplemented to 50 mM Tris buffer (pH 8.0) containing 3 mM KCl, 1 mM CaCl2, 1 mM MgCl2 0.14 mM NaCl, and ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2X06BXH
					More data for this Ligand-Target Pair
Ataxin-1 (Homo sapiens (Human))	BDBM50557597 (CHEMBL4758133 | US11485727, Example 2.6) Show SMILES CC(=O)N1CC2CC1CN2c1ccc(CNc2ccc(OCc3ccc(nc3)C(F)F)nn2)cc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description 5 nM recombinant ATX (Cayman Chemicals) was supplemented to 50 mM Tris buffer (pH 8.0) containing 3 mM KCl, 1 mM CaCl2, 1 mM MgCl2 0.14 mM NaCl, and ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2X06BXH
					More data for this Ligand-Target Pair
Ataxin-1 (Homo sapiens (Human))	BDBM50557598 (CHEMBL4784419 | US11485727, Example 2.7) Show SMILES CC(=O)N1CCN(CC1)c1ccc(CNc2ccc(OCc3ccc(nc3)C(F)F)nn2)c(c1)C(F)(F)F Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description 5 nM recombinant ATX (Cayman Chemicals) was supplemented to 50 mM Tris buffer (pH 8.0) containing 3 mM KCl, 1 mM CaCl2, 1 mM MgCl2 0.14 mM NaCl, and ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2X06BXH
					More data for this Ligand-Target Pair
Ataxin-1 (Homo sapiens (Human))	BDBM50557596 (CHEMBL4743845 | US11485727, Example 2.4) Show SMILES CC(=O)N1CCN(CC1)c1ccc(CNc2ccc(OCc3ccc(nc3)C(F)F)nn2)nc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description 5 nM recombinant ATX (Cayman Chemicals) was supplemented to 50 mM Tris buffer (pH 8.0) containing 3 mM KCl, 1 mM CaCl2, 1 mM MgCl2 0.14 mM NaCl, and ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2X06BXH
					More data for this Ligand-Target Pair
Ataxin-1 (Homo sapiens (Human))	BDBM321944 ((E)-1-(4-((1-Methyl-1H-pyrazol-4-yl)methyl)piperaz...) Show SMILES Cc1nnn(Cc2cc(ccc2\C=C\C(=O)N2CCN(Cc3cnn(C)c3)CC2)C(F)(F)F)n1 Show InChI InChI=1S/C22H25F3N8O/c1-16-27-29-33(28-16)15-19-11-20(22(23,24)25)5-3-18(19)4-6-21(34)32-9-7-31(8-10-32)14-17-12-26-30(2)13-17/h3-6,11-13H,7-10,14-15H2,1-2H3/b6-4+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Method All experimental measurements were performed in black 384 well polystyrene (low volume, round bottom, Corning (3676)) plates. PerkinElmer EnVi...				US Patent US9763957 (2017) BindingDB Entry DOI: 10.7270/Q2QF8W0D
					More data for this Ligand-Target Pair
Ataxin-1 (Homo sapiens (Human))	BDBM477060 (US10882857, Example 3.01 | US11673888, Example 3.0...) Show SMILES NS(=O)(=O)C1CCN(CC1)C(=O)c1nc2CN(Cc2s1)C(=O)c1cc(OCC2CCOCC2)nc(c1)C1CC1 Show InChI InChI=1S/C26H33N5O6S2/c27-39(34,35)19-3-7-30(8-4-19)26(33)24-29-21-13-31(14-22(21)38-24)25(32)18-11-20(17-1-2-17)28-23(12-18)37-15-16-5-9-36-10-6-16/h11-12,16-17,19H,1-10,13-15H2,(H2,27,34,35)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2NV9P52
					More data for this Ligand-Target Pair
Ataxin-1 (Homo sapiens (Human))	BDBM322065 (1-(4-(5-(1H-1,2,3-Triazol-4-yl)pentyl)piperidin-1-...) Show SMILES Cc1nnn(Cc2cc(ccc2CCC(=O)N2CCC(CCCCCc3c[nH]nn3)CC2)C(F)(F)F)n1 Show InChI InChI=1S/C25H33F3N8O/c1-18-30-34-36(32-18)17-21-15-22(25(26,27)28)9-7-20(21)8-10-24(37)35-13-11-19(12-14-35)5-3-2-4-6-23-16-29-33-31-23/h7,9,15-16,19H,2-6,8,10-14,17H2,1H3,(H,29,31,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Method All experimental measurements were performed in black 384 well polystyrene (low volume, round bottom, Corning (3676)) plates. PerkinElmer EnVi...				US Patent US9763957 (2017) BindingDB Entry DOI: 10.7270/Q2QF8W0D
					More data for this Ligand-Target Pair
Ataxin-1 (Homo sapiens (Human))	BDBM321962 ((R,E)-3-(2-((5-Methyl-2H-tetrazol-2-yl)methyl)-4-(...) Show SMILES C[C@@H]1CN(Cc2coc(C)n2)CCN1C(=O)\C=C\c1ccc(cc1Cn1nnc(C)n1)C(F)(F)F |r| Show InChI InChI=1S/C23H26F3N7O2/c1-15-11-31(13-21-14-35-17(3)27-21)8-9-32(15)22(34)7-5-18-4-6-20(23(24,25)26)10-19(18)12-33-29-16(2)28-30-33/h4-7,10,14-15H,8-9,11-13H2,1-3H3/b7-5+/t15-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Method All experimental measurements were performed in black 384 well polystyrene (low volume, round bottom, Corning (3676)) plates. PerkinElmer EnVi...				US Patent US9763957 (2017) BindingDB Entry DOI: 10.7270/Q2QF8W0D
					More data for this Ligand-Target Pair
Ataxin-1 (Homo sapiens (Human))	BDBM477049 (US10882857, Example 1.01 | US11673888, Example 1.0...) Show SMILES O=C(N1Cc2nc(oc2C1)C(=O)N1CCc2[nH]nnc2C1)c1cc(OCC2CCOCC2)nc(c1)C1CC1 Show InChI InChI=1S/C26H29N7O5/c34-25(17-9-19(16-1-2-16)27-23(10-17)37-14-15-4-7-36-8-5-15)33-12-21-22(13-33)38-24(28-21)26(35)32-6-3-18-20(11-32)30-31-29-18/h9-10,15-16H,1-8,11-14H2,(H,29,30,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2NV9P52
					More data for this Ligand-Target Pair
Ataxin-1 (Homo sapiens (Human))	BDBM477042 (US10882857, Example 1 | US11673888, Example 1 | [2...) Show SMILES O=C(N1CCc2[nH]nnc2C1)c1ccc2CN(CCc2c1)C(=O)c1cc(OCC2CCOCC2)nc(c1)C1CC1 Show InChI InChI=1S/C30H34N6O4/c37-29(36-10-6-25-27(17-36)33-34-32-25)22-3-4-23-16-35(9-5-21(23)13-22)30(38)24-14-26(20-1-2-20)31-28(15-24)40-18-19-7-11-39-12-8-19/h3-4,13-15,19-20H,1-2,5-12,16-18H2,(H,32,33,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2NV9P52
					More data for this Ligand-Target Pair
Ataxin-1 (Homo sapiens (Human))	BDBM191570 (US10526329, Compound 12 | US11072611, Compound 12 ...) Show SMILES CCc1nc2c(F)cc(cn2c1N(C)c1nc(c(s1)C#N)-c1ccc(F)cc1)N1CCN(CC(=O)N2CC(O)C2)CC1 Show InChI InChI=1S/C29H30F2N8O2S/c1-3-23-28(35(2)29-34-26(24(13-32)42-29)18-4-6-19(30)7-5-18)39-14-20(12-22(31)27(39)33-23)37-10-8-36(9-11-37)17-25(41)38-15-21(40)16-38/h4-7,12,14,21,40H,3,8-11,15-17H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description 5 nM recombinant ATX (Cayman Chemicals) was supplemented to 50 mM Tris buffer (pH 8.0) containing 3 mM KCl, 1 mM CaCl2, 1 mM MgCl2 0.14 mM NaCl, and ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2X06BXH
					More data for this Ligand-Target Pair
Ataxin-1 (Homo sapiens (Human))	BDBM579837 (US11485727, Example 2.8) Show SMILES FC(F)(F)c1ccc(COc2ccc(NCc3ccc(cc3)N3CCN(CC3)C3COC3)nn2)cn1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description 5 nM recombinant ATX (Cayman Chemicals) was supplemented to 50 mM Tris buffer (pH 8.0) containing 3 mM KCl, 1 mM CaCl2, 1 mM MgCl2 0.14 mM NaCl, and ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2X06BXH
					More data for this Ligand-Target Pair
Ataxin-1 (Homo sapiens (Human))	BDBM511525 (2-fluoro-4-sulfamoylbenzoic acid (CAS-RN 714968-42...) Show SMILES Cc1nnn(Cc2cc(ccc2CCC(=O)N2CCN(CC2)C(=O)c2ccc(cc2F)S(N)(=O)=O)C(F)(F)F)n1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...				Citation and Details BindingDB Entry DOI: 10.7270/Q2KW5K51
					More data for this Ligand-Target Pair
Ataxin-1 (Homo sapiens (Human))	BDBM511523 (US11059794, Example 3.00) Show SMILES Cc1nnn(Cc2cc(ccc2CCC(=O)N2CCN(CC2)C(=O)c2ccc(c(F)c2)S(N)(=O)=O)C(F)(F)F)n1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...				Citation and Details BindingDB Entry DOI: 10.7270/Q2KW5K51
					More data for this Ligand-Target Pair
Ataxin-1 (Homo sapiens (Human))	BDBM511520 (US11059794, Example 2.00 | US11059794, Example 2.0...) Show SMILES Cc1nnn(Cc2cc(ccc2CCC(=O)N2CCN(Cc3ccc(c(F)c3)S(N)(=O)=O)CC2)C(F)(F)F)n1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...				Citation and Details BindingDB Entry DOI: 10.7270/Q2KW5K51
					More data for this Ligand-Target Pair
Ataxin-1 (Homo sapiens (Human))	BDBM511559 (US11059794, Example 6.19 | tert-butyl 4-(2-fluoro-...) Show SMILES Cc1nnn(Cc2cc(ccc2CCC(=O)N2CCN(CC2)S(=O)(=O)c2ccc(cc2F)S(N)(=O)=O)C(F)(F)F)n1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...				Citation and Details BindingDB Entry DOI: 10.7270/Q2KW5K51
					More data for this Ligand-Target Pair
Ataxin-1 (Homo sapiens (Human))	BDBM511557 (US11059794, Example 6.17 | tert-butyl 4-[2-(2-fluo...) Show SMILES Cc1nnn(Cc2cc(ccc2CCC(=O)N2CCC(CCS(=O)(=O)c3ccc(cc3F)S(N)(=O)=O)CC2)C(F)(F)F)n1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...				Citation and Details BindingDB Entry DOI: 10.7270/Q2KW5K51
					More data for this Ligand-Target Pair

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