Compile Data Set for Download or QSAR

Found 26 hits Enz. Inhib. hit(s) with all data for entry = 10158   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Ataxin-1 (Homo sapiens (Human))	BDBM50233168 (CHEMBL4085965 | US11124490, Compound 11) Show SMILES Fc1cc(NC(=O)c2cc(c(Cl)cc2Cl)S(=O)(=O)N2CCOCC2)cc(F)c1F Show InChI InChI=1S/C17H13Cl2F3N2O4S/c18-11-8-12(19)15(29(26,27)24-1-3-28-4-2-24)7-10(11)17(25)23-9-5-13(20)16(22)14(21)6-9/h5-8H,1-4H2,(H,23,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	9.32	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compound 3b was found to be the most potent ATX inhibitor with an IC50 of about 9 nM. The mechanism of action was determined to be competitive; howev...				Citation and Details BindingDB Entry DOI: 10.7270/Q29Z982P
					More data for this Ligand-Target Pair
Ataxin-1 (Homo sapiens (Human))	BDBM50233154 (CHEMBL4096134 | US11124490, Compound 10) Show SMILES Fc1ccc(NC(=O)c2cc(c(Cl)cc2Cl)S(=O)(=O)N2CCOCC2)cc1F Show InChI InChI=1S/C17H14Cl2F2N2O4S/c18-12-9-13(19)16(28(25,26)23-3-5-27-6-4-23)8-11(12)17(24)22-10-1-2-14(20)15(21)7-10/h1-2,7-9H,3-6H2,(H,22,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	31.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compound 3b was found to be the most potent ATX inhibitor with an IC50 of about 9 nM. The mechanism of action was determined to be competitive; howev...				Citation and Details BindingDB Entry DOI: 10.7270/Q29Z982P
					More data for this Ligand-Target Pair
Ataxin-1 (Homo sapiens (Human))	BDBM50233173 (CHEMBL4094366 | US11124490, Compound 14) Show SMILES Fc1cc(NC(=S)c2cc(c(Cl)cc2Cl)S(=O)(=O)N2CCOCC2)cc(F)c1F Show InChI InChI=1S/C17H13Cl2F3N2O3S2/c18-11-8-12(19)15(29(25,26)24-1-3-27-4-2-24)7-10(11)17(28)23-9-5-13(20)16(22)14(21)6-9/h5-8H,1-4H2,(H,23,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	35.3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compound 3b was found to be the most potent ATX inhibitor with an IC50 of about 9 nM. The mechanism of action was determined to be competitive; howev...				Citation and Details BindingDB Entry DOI: 10.7270/Q29Z982P
					More data for this Ligand-Target Pair
Ataxin-1 (Homo sapiens (Human))	BDBM50233166 (CHEMBL4060128 | US11124490, Compound 3g) Show SMILES Fc1c(Cl)cc(NC(=O)c2cc(c(Cl)cc2Cl)S(=O)(=O)N2CCOCC2)cc1Cl Show InChI InChI=1S/C17H13Cl4FN2O4S/c18-11-8-12(19)15(29(26,27)24-1-3-28-4-2-24)7-10(11)17(25)23-9-5-13(20)16(22)14(21)6-9/h5-8H,1-4H2,(H,23,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	40.1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compound 3b was found to be the most potent ATX inhibitor with an IC50 of about 9 nM. The mechanism of action was determined to be competitive; howev...				Citation and Details BindingDB Entry DOI: 10.7270/Q29Z982P
					More data for this Ligand-Target Pair
Ataxin-1 (Homo sapiens (Human))	BDBM50233155 (CHEMBL4080953 | US11124490, Compound 28b) Show SMILES CN1CCN(CC1)S(=O)(=O)c1cc(C(=O)Nc2cc(Cl)c(F)c(Cl)c2)c(Cl)cc1Cl Show InChI InChI=1S/C18H16Cl4FN3O3S/c1-25-2-4-26(5-3-25)30(28,29)16-8-11(12(19)9-13(16)20)18(27)24-10-6-14(21)17(23)15(22)7-10/h6-9H,2-5H2,1H3,(H,24,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	55.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compound 3b was found to be the most potent ATX inhibitor with an IC50 of about 9 nM. The mechanism of action was determined to be competitive; howev...				Citation and Details BindingDB Entry DOI: 10.7270/Q29Z982P
					More data for this Ligand-Target Pair
Ataxin-1 (Homo sapiens (Human))	BDBM50233157 (CHEMBL4097500 | US11124490, Compound 28a) Show SMILES CN1CCN(CC1)S(=O)(=O)c1cc(C(=O)Nc2cc(F)c(F)c(F)c2)c(Cl)cc1Cl Show InChI InChI=1S/C18H16Cl2F3N3O3S/c1-25-2-4-26(5-3-25)30(28,29)16-8-11(12(19)9-13(16)20)18(27)24-10-6-14(21)17(23)15(22)7-10/h6-9H,2-5H2,1H3,(H,24,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	66.9	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compound 3b was found to be the most potent ATX inhibitor with an IC50 of about 9 nM. The mechanism of action was determined to be competitive; howev...				Citation and Details BindingDB Entry DOI: 10.7270/Q29Z982P
					More data for this Ligand-Target Pair
Ataxin-1 (Homo sapiens (Human))	BDBM50233170 (CHEMBL4073772 | US11124490, Compound 13) Show SMILES Fc1ccc(NC(=S)c2cc(c(Cl)cc2Cl)S(=O)(=O)N2CCOCC2)cc1F Show InChI InChI=1S/C17H14Cl2F2N2O3S2/c18-12-9-13(19)16(28(24,25)23-3-5-26-6-4-23)8-11(12)17(27)22-10-1-2-14(20)15(21)7-10/h1-2,7-9H,3-6H2,(H,22,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	67.3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compound 3b was found to be the most potent ATX inhibitor with an IC50 of about 9 nM. The mechanism of action was determined to be competitive; howev...				Citation and Details BindingDB Entry DOI: 10.7270/Q29Z982P
					More data for this Ligand-Target Pair
Ataxin-1 (Homo sapiens (Human))	BDBM50233171 (CHEMBL4099620 | US11124490, Compound 15) Show SMILES Fc1c(Cl)cc(NC(=S)c2cc(c(Cl)cc2Cl)S(=O)(=O)N2CCOCC2)cc1Cl Show InChI InChI=1S/C17H13Cl4FN2O3S2/c18-11-8-12(19)15(29(25,26)24-1-3-27-4-2-24)7-10(11)17(28)23-9-5-13(20)16(22)14(21)6-9/h5-8H,1-4H2,(H,23,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	83.1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compound 3b was found to be the most potent ATX inhibitor with an IC50 of about 9 nM. The mechanism of action was determined to be competitive; howev...				Citation and Details BindingDB Entry DOI: 10.7270/Q29Z982P
					More data for this Ligand-Target Pair
Ataxin-1 (Homo sapiens (Human))	BDBM50233169 (CHEMBL4082022 | US11124490, Compound 3f) Show SMILES Fc1cc(NC(=O)c2cc(c(Cl)cc2Cl)S(=O)(=O)N2CCOCC2)cc(F)c1Cl Show InChI InChI=1S/C17H13Cl3F2N2O4S/c18-11-8-12(19)15(29(26,27)24-1-3-28-4-2-24)7-10(11)17(25)23-9-5-13(21)16(20)14(22)6-9/h5-8H,1-4H2,(H,23,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	83.7	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compound 3b was found to be the most potent ATX inhibitor with an IC50 of about 9 nM. The mechanism of action was determined to be competitive; howev...				Citation and Details BindingDB Entry DOI: 10.7270/Q29Z982P
					More data for this Ligand-Target Pair
Ataxin-1 (Homo sapiens (Human))	BDBM50233164 (CHEMBL4105201 | US11124490, Compound 29) Show SMILES CN1CCN(CC1)S(=O)(=O)c1cc(C(=S)Nc2cc(Cl)c(F)c(Cl)c2)c(Cl)cc1Cl Show InChI InChI=1S/C18H16Cl4FN3O2S2/c1-25-2-4-26(5-3-25)30(27,28)16-8-11(12(19)9-13(16)20)18(29)24-10-6-14(21)17(23)15(22)7-10/h6-9H,2-5H2,1H3,(H,24,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compound 3b was found to be the most potent ATX inhibitor with an IC50 of about 9 nM. The mechanism of action was determined to be competitive; howev...				Citation and Details BindingDB Entry DOI: 10.7270/Q29Z982P
					More data for this Ligand-Target Pair
Ataxin-1 (Homo sapiens (Human))	BDBM50187687 (CHEMBL3828733 | US11124490, Compound 918013) Show SMILES Fc1cccc(NC(=O)c2cc(c(Cl)cc2Cl)S(=O)(=O)N2CCOCC2)c1 Show InChI InChI=1S/C17H15Cl2FN2O4S/c18-14-10-15(19)16(27(24,25)22-4-6-26-7-5-22)9-13(14)17(23)21-12-3-1-2-11(20)8-12/h1-3,8-10H,4-7H2,(H,21,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	117	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compound 3b was found to be the most potent ATX inhibitor with an IC50 of about 9 nM. The mechanism of action was determined to be competitive; howev...				Citation and Details BindingDB Entry DOI: 10.7270/Q29Z982P
					More data for this Ligand-Target Pair
Ataxin-1 (Homo sapiens (Human))	BDBM50233163 (CHEMBL4102111 | US11124490, Compound 12) Show SMILES Fc1cccc(NC(=S)c2cc(c(Cl)cc2Cl)S(=O)(=O)N2CCOCC2)c1 Show InChI InChI=1S/C17H15Cl2FN2O3S2/c18-14-10-15(19)16(27(23,24)22-4-6-25-7-5-22)9-13(14)17(26)21-12-3-1-2-11(20)8-12/h1-3,8-10H,4-7H2,(H,21,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	121	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compound 3b was found to be the most potent ATX inhibitor with an IC50 of about 9 nM. The mechanism of action was determined to be competitive; howev...				Citation and Details BindingDB Entry DOI: 10.7270/Q29Z982P
					More data for this Ligand-Target Pair
Ataxin-1 (Homo sapiens (Human))	BDBM50233160 (CHEMBL4071490 | US11124490, Compound 3h) Show SMILES Fc1cc(NC(=O)c2cc(c(Cl)cc2Cl)S(=O)(=O)N2CCOCC2)cc(F)c1C#N Show InChI InChI=1S/C18H13Cl2F2N3O4S/c19-13-8-14(20)17(30(27,28)25-1-3-29-4-2-25)7-11(13)18(26)24-10-5-15(21)12(9-23)16(22)6-10/h5-8H,1-4H2,(H,24,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compound 3b was found to be the most potent ATX inhibitor with an IC50 of about 9 nM. The mechanism of action was determined to be competitive; howev...				Citation and Details BindingDB Entry DOI: 10.7270/Q29Z982P
					More data for this Ligand-Target Pair
Ataxin-1 (Homo sapiens (Human))	BDBM50233168 (CHEMBL4085965 | US11124490, Compound 11) Show SMILES Fc1cc(NC(=O)c2cc(c(Cl)cc2Cl)S(=O)(=O)N2CCOCC2)cc(F)c1F Show InChI InChI=1S/C17H13Cl2F3N2O4S/c18-11-8-12(19)15(29(26,27)24-1-3-28-4-2-24)7-10(11)17(25)23-9-5-13(20)16(22)14(21)6-9/h5-8H,1-4H2,(H,23,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	396	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compound 3b was found to be the most potent ATX inhibitor with an IC50 of about 9 nM. The mechanism of action was determined to be competitive; howev...				Citation and Details BindingDB Entry DOI: 10.7270/Q29Z982P
					More data for this Ligand-Target Pair
Ataxin-1 (Homo sapiens (Human))	BDBM50233188 (CHEMBL4098521 | US11124490, Compound 3i) Show SMILES COC(=O)c1c(F)cc(NC(=O)c2cc(c(Cl)cc2Cl)S(=O)(=O)N2CCOCC2)cc1F Show InChI InChI=1S/C19H16Cl2F2N2O6S/c1-30-19(27)17-14(22)6-10(7-15(17)23)24-18(26)11-8-16(13(21)9-12(11)20)32(28,29)25-2-4-31-5-3-25/h6-9H,2-5H2,1H3,(H,24,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	864	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compound 3b was found to be the most potent ATX inhibitor with an IC50 of about 9 nM. The mechanism of action was determined to be competitive; howev...				Citation and Details BindingDB Entry DOI: 10.7270/Q29Z982P
					More data for this Ligand-Target Pair
Ataxin-1 (Homo sapiens (Human))	BDBM50233154 (CHEMBL4096134 | US11124490, Compound 10) Show SMILES Fc1ccc(NC(=O)c2cc(c(Cl)cc2Cl)S(=O)(=O)N2CCOCC2)cc1F Show InChI InChI=1S/C17H14Cl2F2N2O4S/c18-12-9-13(19)16(28(25,26)23-3-5-27-6-4-23)8-11(12)17(24)22-10-1-2-14(20)15(21)7-10/h1-2,7-9H,3-6H2,(H,22,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compound 3b was found to be the most potent ATX inhibitor with an IC50 of about 9 nM. The mechanism of action was determined to be competitive; howev...				Citation and Details BindingDB Entry DOI: 10.7270/Q29Z982P
					More data for this Ligand-Target Pair
Ataxin-1 (Homo sapiens (Human))	BDBM50233183 (CHEMBL4091756 | US11124490, Compound 3e) Show SMILES COc1cc(NC(=O)c2cc(c(Cl)cc2Cl)S(=O)(=O)N2CCOCC2)cc(OC)c1OC Show InChI InChI=1S/C20H22Cl2N2O7S/c1-28-16-8-12(9-17(29-2)19(16)30-3)23-20(25)13-10-18(15(22)11-14(13)21)32(26,27)24-4-6-31-7-5-24/h8-11H,4-7H2,1-3H3,(H,23,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compound 3b was found to be the most potent ATX inhibitor with an IC50 of about 9 nM. The mechanism of action was determined to be competitive; howev...				Citation and Details BindingDB Entry DOI: 10.7270/Q29Z982P
					More data for this Ligand-Target Pair
Ataxin-1 (Homo sapiens (Human))	BDBM50233177 (CHEMBL4070890 | US11124490, Compound 3d) Show SMILES Clc1cc(NC(=O)c2cc(c(Cl)cc2Cl)S(=O)(=O)N2CCOCC2)cc(Cl)c1Cl Show InChI InChI=1S/C17H13Cl5N2O4S/c18-11-8-12(19)15(29(26,27)24-1-3-28-4-2-24)7-10(11)17(25)23-9-5-13(20)16(22)14(21)6-9/h5-8H,1-4H2,(H,23,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compound 3b was found to be the most potent ATX inhibitor with an IC50 of about 9 nM. The mechanism of action was determined to be competitive; howev...				Citation and Details BindingDB Entry DOI: 10.7270/Q29Z982P
					More data for this Ligand-Target Pair
Ataxin-1 (Homo sapiens (Human))	BDBM517730 (US11124490, Compound 4) Show SMILES OC(=O)c1c(F)cc(NC(=O)c2cc(c(Cl)cc2Cl)S(=O)(=O)N2CCOCC2)cc1F Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compound 3b was found to be the most potent ATX inhibitor with an IC50 of about 9 nM. The mechanism of action was determined to be competitive; howev...				Citation and Details BindingDB Entry DOI: 10.7270/Q29Z982P
					More data for this Ligand-Target Pair
Ataxin-1 (Homo sapiens (Human))	BDBM50233159 (CHEMBL4072723 | US11124490, Compound 19) Show SMILES Fc1cccc(c1)S(=O)(=O)Nc1cc(c(Cl)cc1Cl)S(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C16H15Cl2FN2O5S2/c17-13-9-14(18)16(28(24,25)21-4-6-26-7-5-21)10-15(13)20-27(22,23)12-3-1-2-11(19)8-12/h1-3,8-10,20H,4-7H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compound 3b was found to be the most potent ATX inhibitor with an IC50 of about 9 nM. The mechanism of action was determined to be competitive; howev...				Citation and Details BindingDB Entry DOI: 10.7270/Q29Z982P
					More data for this Ligand-Target Pair
Ataxin-1 (Homo sapiens (Human))	BDBM50233167 (CHEMBL4091887 | US11124490, Compound 20) Show SMILES Fc1cccc(c1)S(=O)(=O)N(c1cc(c(Cl)cc1Cl)S(=O)(=O)N1CCOCC1)S(=O)(=O)c1cccc(F)c1 Show InChI InChI=1S/C22H18Cl2F2N2O7S3/c23-19-13-20(24)22(38(33,34)27-7-9-35-10-8-27)14-21(19)28(36(29,30)17-5-1-3-15(25)11-17)37(31,32)18-6-2-4-16(26)12-18/h1-6,11-14H,7-10H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compound 3b was found to be the most potent ATX inhibitor with an IC50 of about 9 nM. The mechanism of action was determined to be competitive; howev...				Citation and Details BindingDB Entry DOI: 10.7270/Q29Z982P
					More data for this Ligand-Target Pair
Ataxin-1 (Homo sapiens (Human))	BDBM50233184 (CHEMBL4064138 | US11124490, Compound 22) Show SMILES Fc1cccc(NS(=O)(=O)c2cc(c(Cl)cc2Cl)S(=O)(=O)N2CCOCC2)c1 Show InChI InChI=1S/C16H15Cl2FN2O5S2/c17-13-9-14(18)16(28(24,25)21-4-6-26-7-5-21)10-15(13)27(22,23)20-12-3-1-2-11(19)8-12/h1-3,8-10,20H,4-7H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compound 3b was found to be the most potent ATX inhibitor with an IC50 of about 9 nM. The mechanism of action was determined to be competitive; howev...				Citation and Details BindingDB Entry DOI: 10.7270/Q29Z982P
					More data for this Ligand-Target Pair
Ataxin-1 (Homo sapiens (Human))	BDBM50233186 (CHEMBL4070002 | US11124490, Compound 23) Show SMILES Fc1cc(NS(=O)(=O)c2cc(c(Cl)cc2Cl)S(=O)(=O)N2CCOCC2)cc(F)c1F Show InChI InChI=1S/C16H13Cl2F3N2O5S2/c17-10-7-11(18)15(30(26,27)23-1-3-28-4-2-23)8-14(10)29(24,25)22-9-5-12(19)16(21)13(20)6-9/h5-8,22H,1-4H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compound 3b was found to be the most potent ATX inhibitor with an IC50 of about 9 nM. The mechanism of action was determined to be competitive; howev...				Citation and Details BindingDB Entry DOI: 10.7270/Q29Z982P
					More data for this Ligand-Target Pair
Ataxin-1 (Homo sapiens (Human))	BDBM50233185 (CHEMBL4090985 | US11124490, Compound 25) Show SMILES Fc1cc(NC(=O)c2cc(NN3CCOCC3)c(Cl)cc2Cl)cc(F)c1F Show InChI InChI=1S/C17H14Cl2F3N3O2/c18-11-8-12(19)15(24-25-1-3-27-4-2-25)7-10(11)17(26)23-9-5-13(20)16(22)14(21)6-9/h5-8,24H,1-4H2,(H,23,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compound 3b was found to be the most potent ATX inhibitor with an IC50 of about 9 nM. The mechanism of action was determined to be competitive; howev...				Citation and Details BindingDB Entry DOI: 10.7270/Q29Z982P
					More data for this Ligand-Target Pair
Ataxin-1 (Homo sapiens (Human))	BDBM50233156 (CHEMBL4070321 | US11124490, Compound 26a) Show SMILES CS(=O)(=O)N(C(=O)c1cc(NN2CCOCC2)c(Cl)cc1Cl)c1cc(F)c(F)c(F)c1 Show InChI InChI=1S/C18H16Cl2F3N3O4S/c1-31(28,29)26(10-6-14(21)17(23)15(22)7-10)18(27)11-8-16(13(20)9-12(11)19)24-25-2-4-30-5-3-25/h6-9,24H,2-5H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compound 3b was found to be the most potent ATX inhibitor with an IC50 of about 9 nM. The mechanism of action was determined to be competitive; howev...				Citation and Details BindingDB Entry DOI: 10.7270/Q29Z982P
					More data for this Ligand-Target Pair
Ataxin-1 (Homo sapiens (Human))	BDBM50233168 (CHEMBL4085965 | US11124490, Compound 11) Show SMILES Fc1cc(NC(=O)c2cc(c(Cl)cc2Cl)S(=O)(=O)N2CCOCC2)cc(F)c1F Show InChI InChI=1S/C17H13Cl2F3N2O4S/c18-11-8-12(19)15(29(26,27)24-1-3-28-4-2-24)7-10(11)17(25)23-9-5-13(20)16(22)14(21)6-9/h5-8H,1-4H2,(H,23,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	1.03E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compound 3b was found to be the most potent ATX inhibitor with an IC50 of about 9 nM. The mechanism of action was determined to be competitive; howev...				Citation and Details BindingDB Entry DOI: 10.7270/Q29Z982P
					More data for this Ligand-Target Pair