Compile Data Set for Download or QSAR

Found 445 hits Enz. Inhib. hit(s) with Target = 'Alpha-synuclein'   

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
Alpha-synuclein (Homo sapiens (Human))	BDBM50103964 (CHEMBL3593932) Show SMILES [O-][N+](=O)c1ccc(\C=C\C=C2/C(=O)N(Cc3ccc(OCCF)cc3)c3ccccc23)cc1 Show InChI InChI=1S/C26H21FN2O4/c27-16-17-33-22-14-10-20(11-15-22)18-28-25-7-2-1-5-23(25)24(26(28)30)6-3-4-19-8-12-21(13-9-19)29(31)32/h1-15H,16-18H2/b4-3+,24-6-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of Thio-T from recombinant alpha-synuclein (unknown origin) expressed in Escherichia coli after 1.5 hrs by fluorescence assay				J Med Chem 58: 6002-17 (2015) Article DOI: 10.1021/acs.jmedchem.5b00571 BindingDB Entry DOI: 10.7270/Q24Q7WRC
					More data for this Ligand-Target Pair
Alpha-synuclein (Homo sapiens (Human))	BDBM50614056 (CHEMBL5274551) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	UniChem		2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Alpha-synuclein (Homo sapiens (Human))	BDBM50103961 (CHEMBL3593930) Show SMILES COc1ccc(CN2C(=O)\C(=C/C=C/c3ccc(cc3)[N+]([O-])=O)c3ccccc23)cc1OC Show InChI InChI=1S/C26H22N2O5/c1-32-24-15-12-19(16-25(24)33-2)17-27-23-9-4-3-7-21(23)22(26(27)29)8-5-6-18-10-13-20(14-11-18)28(30)31/h3-16H,17H2,1-2H3/b6-5+,22-8-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of Thio-T from recombinant alpha-synuclein (unknown origin) expressed in Escherichia coli after 1.5 hrs by fluorescence assay				J Med Chem 58: 6002-17 (2015) Article DOI: 10.1021/acs.jmedchem.5b00571 BindingDB Entry DOI: 10.7270/Q24Q7WRC
					More data for this Ligand-Target Pair
Alpha-synuclein (Homo sapiens (Human))	BDBM50103936 (CHEMBL3593928) Show SMILES COc1cccc(CN2C(=O)\C(=C/C=C/c3ccc(cc3)[N+]([O-])=O)c3ccccc23)c1 Show InChI InChI=1S/C25H20N2O4/c1-31-21-8-4-7-19(16-21)17-26-24-11-3-2-9-22(24)23(25(26)28)10-5-6-18-12-14-20(15-13-18)27(29)30/h2-16H,17H2,1H3/b6-5+,23-10-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of Thio-T from recombinant alpha-synuclein (unknown origin) expressed in Escherichia coli after 1.5 hrs by fluorescence assay				J Med Chem 58: 6002-17 (2015) Article DOI: 10.1021/acs.jmedchem.5b00571 BindingDB Entry DOI: 10.7270/Q24Q7WRC
					More data for this Ligand-Target Pair
Alpha-synuclein (Homo sapiens (Human))	BDBM50104103 (CHEMBL3593911) Show SMILES CN(C)c1ccc(\C=C\C=C2/C(=O)N(Cc3ccc(cc3)[N+]([O-])=O)c3ccccc23)cc1 Show InChI InChI=1S/C26H23N3O3/c1-27(2)21-14-10-19(11-15-21)6-5-8-24-23-7-3-4-9-25(23)28(26(24)30)18-20-12-16-22(17-13-20)29(31)32/h3-17H,18H2,1-2H3/b6-5+,24-8-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of Thio-T from recombinant alpha-synuclein (unknown origin) expressed in Escherichia coli after 1.5 hrs by fluorescence assay				J Med Chem 58: 6002-17 (2015) Article DOI: 10.1021/acs.jmedchem.5b00571 BindingDB Entry DOI: 10.7270/Q24Q7WRC
					More data for this Ligand-Target Pair
Alpha-synuclein (Homo sapiens (Human))	BDBM481149 (US10906900, Reference 22a) Show SMILES CN(C)c1ccc(cc1)C#Cc1cc2cccnc2[nH]1 Show InChI InChI=1S/C17H15N3/c1-20(2)16-9-6-13(7-10-16)5-8-15-12-14-4-3-11-18-17(14)19-15/h3-4,6-7,9-12H,1-2H3,(H,18,19)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE; UNIVERSITE D''ORLEANS; UNIVERSITE DE TOURS; CENTRE HOSPITALIER REGIONAL UNIVERSITAIRE DE TOURS; INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) US Patent					Assay Description Table 5: Fresh solutions of the test compounds (2.5 mM in DMSO) are diluted in PBS pH7.4, at concentrations between 0.5 nM and 5 μM in the prese...				US Patent US10906900 (2021) BindingDB Entry DOI: 10.7270/Q2BC42NC
					More data for this Ligand-Target Pair
Alpha-synuclein (Homo sapiens (Human))	BDBM50103979 (CHEMBL3593904) Show SMILES CN(C)c1ccc(\C=C\C=C2/C(=O)Nc3ncccc23)cc1 Show InChI InChI=1S/C18H17N3O/c1-21(2)14-10-8-13(9-11-14)5-3-6-16-15-7-4-12-19-17(15)20-18(16)22/h3-12H,1-2H3,(H,19,20,22)/b5-3+,16-6-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of Thio-T from recombinant alpha-synuclein (unknown origin) expressed in Escherichia coli after 1.5 hrs by fluorescence assay				J Med Chem 58: 6002-17 (2015) Article DOI: 10.1021/acs.jmedchem.5b00571 BindingDB Entry DOI: 10.7270/Q24Q7WRC
					More data for this Ligand-Target Pair
Alpha-synuclein (Homo sapiens (Human))	BDBM50103934 (CHEMBL3593926) Show SMILES COc1ccc(CN2C(=O)\C(=C/C=C/c3ccc(cc3)[N+]([O-])=O)c3ccccc23)cc1 Show InChI InChI=1S/C25H20N2O4/c1-31-21-15-11-19(12-16-21)17-26-24-8-3-2-6-22(24)23(25(26)28)7-4-5-18-9-13-20(14-10-18)27(29)30/h2-16H,17H2,1H3/b5-4+,23-7-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of Thio-T from recombinant alpha-synuclein (unknown origin) expressed in Escherichia coli after 1.5 hrs by fluorescence assay				J Med Chem 58: 6002-17 (2015) Article DOI: 10.1021/acs.jmedchem.5b00571 BindingDB Entry DOI: 10.7270/Q24Q7WRC
					More data for this Ligand-Target Pair
Alpha-synuclein (Homo sapiens (Human))	BDBM481153 (US10906900, Reference 22f) Show SMILES CN(C)c1ccc(cc1)C#Cc1cc2ccc(F)nc2[nH]1 Show InChI InChI=1S/C17H14FN3/c1-21(2)15-8-4-12(5-9-15)3-7-14-11-13-6-10-16(18)20-17(13)19-14/h4-6,8-11H,1-2H3,(H,19,20)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	14.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE; UNIVERSITE D''ORLEANS; UNIVERSITE DE TOURS; CENTRE HOSPITALIER REGIONAL UNIVERSITAIRE DE TOURS; INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) US Patent					Assay Description Table 5: Fresh solutions of the test compounds (2.5 mM in DMSO) are diluted in PBS pH7.4, at concentrations between 0.5 nM and 5 μM in the prese...				US Patent US10906900 (2021) BindingDB Entry DOI: 10.7270/Q2BC42NC
					More data for this Ligand-Target Pair
Alpha-synuclein (Homo sapiens (Human))	BDBM50104109 (CHEMBL3593922) Show SMILES [O-][N+](=O)c1ccc(\C=C\C=C2/C(=O)Nc3ccccc23)cc1 Show InChI InChI=1S/C17H12N2O3/c20-17-15(14-5-1-2-7-16(14)18-17)6-3-4-12-8-10-13(11-9-12)19(21)22/h1-11H,(H,18,20)/b4-3+,15-6-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of Thio-T from recombinant alpha-synuclein (unknown origin) expressed in Escherichia coli after 1.5 hrs by fluorescence assay				J Med Chem 58: 6002-17 (2015) Article DOI: 10.1021/acs.jmedchem.5b00571 BindingDB Entry DOI: 10.7270/Q24Q7WRC
					More data for this Ligand-Target Pair
Alpha-synuclein (Homo sapiens (Human))	BDBM481154 (US10906900, Reference 22g) Show SMILES CN(C)c1ccc(cc1)C#Cc1cc2cc(F)cnc2[nH]1 Show InChI InChI=1S/C17H14FN3/c1-21(2)16-7-4-12(5-8-16)3-6-15-10-13-9-14(18)11-19-17(13)20-15/h4-5,7-11H,1-2H3,(H,19,20)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE; UNIVERSITE D''ORLEANS; UNIVERSITE DE TOURS; CENTRE HOSPITALIER REGIONAL UNIVERSITAIRE DE TOURS; INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) US Patent					Assay Description Table 5: Fresh solutions of the test compounds (2.5 mM in DMSO) are diluted in PBS pH7.4, at concentrations between 0.5 nM and 5 μM in the prese...				US Patent US10906900 (2021) BindingDB Entry DOI: 10.7270/Q2BC42NC
					More data for this Ligand-Target Pair
Alpha-synuclein (Homo sapiens (Human))	BDBM481155 (US10906900, Reference 22h) Show SMILES CN(C)c1ccc(cc1)C#Cc1cc2c(F)ccnc2[nH]1 Show InChI InChI=1S/C17H14FN3/c1-21(2)14-7-4-12(5-8-14)3-6-13-11-15-16(18)9-10-19-17(15)20-13/h4-5,7-11H,1-2H3,(H,19,20)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	20.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE; UNIVERSITE D''ORLEANS; UNIVERSITE DE TOURS; CENTRE HOSPITALIER REGIONAL UNIVERSITAIRE DE TOURS; INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) US Patent					Assay Description Table 5: Fresh solutions of the test compounds (2.5 mM in DMSO) are diluted in PBS pH7.4, at concentrations between 0.5 nM and 5 μM in the prese...				US Patent US10906900 (2021) BindingDB Entry DOI: 10.7270/Q2BC42NC
					More data for this Ligand-Target Pair
Alpha-synuclein (Homo sapiens (Human))	BDBM50103932 (CHEMBL3593924) Show SMILES [O-][N+](=O)c1ccc(\C=C\C=C2/C(=O)N(Cc3ccccc3)c3ccccc23)cc1 Show InChI InChI=1S/C24H18N2O3/c27-24-22(11-6-9-18-13-15-20(16-14-18)26(28)29)21-10-4-5-12-23(21)25(24)17-19-7-2-1-3-8-19/h1-16H,17H2/b9-6+,22-11-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of Thio-T from recombinant alpha-synuclein (unknown origin) expressed in Escherichia coli after 1.5 hrs by fluorescence assay				J Med Chem 58: 6002-17 (2015) Article DOI: 10.1021/acs.jmedchem.5b00571 BindingDB Entry DOI: 10.7270/Q24Q7WRC
					More data for this Ligand-Target Pair
Alpha-synuclein (Homo sapiens (Human))	BDBM50185987 (2-(1-(6-((2-fluoroethyl)(methyl)amino)naphthalen-2...) Show SMILES [#6]-[#7](-[#6]-[#6]F)-c1ccc2cc(ccc2c1)-[#6](\[#6])=[#6](\C#N)C#N Show InChI InChI=1S/C18H16FN3/c1-13(17(11-20)12-21)14-3-4-16-10-18(22(2)8-7-19)6-5-15(16)9-14/h3-6,9-10H,7-8H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	US Patent	25.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE; UNIVERSITE D''ORLEANS; UNIVERSITE DE TOURS; CENTRE HOSPITALIER REGIONAL UNIVERSITAIRE DE TOURS; INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) US Patent					Assay Description Table 5: Fresh solutions of the test compounds (2.5 mM in DMSO) are diluted in PBS pH7.4, at concentrations between 0.5 nM and 5 μM in the prese...				US Patent US10906900 (2021) BindingDB Entry DOI: 10.7270/Q2BC42NC
					More data for this Ligand-Target Pair
Alpha-synuclein (Homo sapiens (Human))	BDBM481151 (US10906900, Reference 22c) Show SMILES CN(C)c1ccc(cc1)C#Cc1cc2ncccc2[nH]1 Show InChI InChI=1S/C17H15N3/c1-20(2)15-9-6-13(7-10-15)5-8-14-12-17-16(19-14)4-3-11-18-17/h3-4,6-7,9-12,19H,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE; UNIVERSITE D''ORLEANS; UNIVERSITE DE TOURS; CENTRE HOSPITALIER REGIONAL UNIVERSITAIRE DE TOURS; INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) US Patent					Assay Description Table 5: Fresh solutions of the test compounds (2.5 mM in DMSO) are diluted in PBS pH7.4, at concentrations between 0.5 nM and 5 μM in the prese...				US Patent US10906900 (2021) BindingDB Entry DOI: 10.7270/Q2BC42NC
					More data for this Ligand-Target Pair
Alpha-synuclein (Homo sapiens (Human))	BDBM481150 (US10906900, Reference 22b) Show SMILES CN(C)c1ccc(cc1)C#Cc1cc2ccncc2[nH]1 Show InChI InChI=1S/C17H15N3/c1-20(2)16-7-4-13(5-8-16)3-6-15-11-14-9-10-18-12-17(14)19-15/h4-5,7-12,19H,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	28.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE; UNIVERSITE D''ORLEANS; UNIVERSITE DE TOURS; CENTRE HOSPITALIER REGIONAL UNIVERSITAIRE DE TOURS; INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) US Patent					Assay Description Table 5: Fresh solutions of the test compounds (2.5 mM in DMSO) are diluted in PBS pH7.4, at concentrations between 0.5 nM and 5 μM in the prese...				US Patent US10906900 (2021) BindingDB Entry DOI: 10.7270/Q2BC42NC
					More data for this Ligand-Target Pair
Alpha-synuclein (Homo sapiens (Human))	BDBM50104145 (CHEMBL3593915) Show SMILES COc1ccc(CN2C(=O)\C(=C/C=C/c3ccc(cc3)N(C)C)c3cccnc23)cc1 Show InChI InChI=1S/C26H25N3O2/c1-28(2)21-13-9-19(10-14-21)6-4-7-24-23-8-5-17-27-25(23)29(26(24)30)18-20-11-15-22(31-3)16-12-20/h4-17H,18H2,1-3H3/b6-4+,24-7-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of Thio-T from recombinant alpha-synuclein (unknown origin) expressed in Escherichia coli after 1.5 hrs by fluorescence assay				J Med Chem 58: 6002-17 (2015) Article DOI: 10.1021/acs.jmedchem.5b00571 BindingDB Entry DOI: 10.7270/Q24Q7WRC
					More data for this Ligand-Target Pair
Alpha-synuclein (Homo sapiens (Human))	BDBM50389294 (CHEMBL2063787) Show SMILES COc1ccc2Nc3ccc(cc3Sc2c1)[N+]([O-])=O Show InChI InChI=1S/C13H10N2O3S/c1-18-9-3-5-11-13(7-9)19-12-6-8(15(16)17)2-4-10(12)14-11/h2-7,14H,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	32.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Binding affinity to human alpha-synuclein expressed in Escherichia coli BL21 (DE3) cells after 1 hr by thioflavin T fluorescence assay				Bioorg Med Chem 20: 4625-34 (2012) Article DOI: 10.1016/j.bmc.2012.06.023 BindingDB Entry DOI: 10.7270/Q25B03J1
					More data for this Ligand-Target Pair
Alpha-synuclein (Homo sapiens (Human))	BDBM50103927 (CHEMBL3593903) Show SMILES CN(C)c1ccc(\C=C\C=C2/C(=O)Nc3ccccc23)cc1 Show InChI InChI=1S/C19H18N2O/c1-21(2)15-12-10-14(11-13-15)6-5-8-17-16-7-3-4-9-18(16)20-19(17)22/h3-13H,1-2H3,(H,20,22)/b6-5+,17-8-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of Thio-T from recombinant alpha-synuclein (unknown origin) expressed in Escherichia coli after 1.5 hrs by fluorescence assay				J Med Chem 58: 6002-17 (2015) Article DOI: 10.1021/acs.jmedchem.5b00571 BindingDB Entry DOI: 10.7270/Q24Q7WRC
					More data for this Ligand-Target Pair
Alpha-synuclein (Homo sapiens (Human))	BDBM50104059 (CHEMBL3593909) Show SMILES CN(C)c1ccc(\C=C\C=C2/C(=O)N(Cc3ccccc3)c3ccccc23)cc1 Show InChI InChI=1S/C26H24N2O/c1-27(2)22-17-15-20(16-18-22)11-8-13-24-23-12-6-7-14-25(23)28(26(24)29)19-21-9-4-3-5-10-21/h3-18H,19H2,1-2H3/b11-8+,24-13-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of Thio-T from recombinant alpha-synuclein (unknown origin) expressed in Escherichia coli after 1.5 hrs by fluorescence assay				J Med Chem 58: 6002-17 (2015) Article DOI: 10.1021/acs.jmedchem.5b00571 BindingDB Entry DOI: 10.7270/Q24Q7WRC
					More data for this Ligand-Target Pair
Alpha-synuclein (Homo sapiens (Human))	BDBM50104144 (CHEMBL3593916) Show SMILES CN(C)c1ccc(\C=C\C=C2/C(=O)N(Cc3ccc(N)cc3)c3ccccc23)cc1 Show InChI InChI=1S/C26H25N3O/c1-28(2)22-16-12-19(13-17-22)6-5-8-24-23-7-3-4-9-25(23)29(26(24)30)18-20-10-14-21(27)15-11-20/h3-17H,18,27H2,1-2H3/b6-5+,24-8-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of Thio-T from recombinant alpha-synuclein (unknown origin) expressed in Escherichia coli after 1.5 hrs by fluorescence assay				J Med Chem 58: 6002-17 (2015) Article DOI: 10.1021/acs.jmedchem.5b00571 BindingDB Entry DOI: 10.7270/Q24Q7WRC
					More data for this Ligand-Target Pair
Alpha-synuclein (Homo sapiens (Human))	BDBM50104116 (CHEMBL3593918) Show SMILES Nc1ccc(\C=C\C=C2/C(=O)Nc3ccccc23)cc1 Show InChI InChI=1S/C17H14N2O/c18-13-10-8-12(9-11-13)4-3-6-15-14-5-1-2-7-16(14)19-17(15)20/h1-11H,18H2,(H,19,20)/b4-3+,15-6-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of Thio-T from recombinant alpha-synuclein (unknown origin) expressed in Escherichia coli after 1.5 hrs by fluorescence assay				J Med Chem 58: 6002-17 (2015) Article DOI: 10.1021/acs.jmedchem.5b00571 BindingDB Entry DOI: 10.7270/Q24Q7WRC
					More data for this Ligand-Target Pair
Alpha-synuclein (Homo sapiens (Human))	BDBM50104106 (CHEMBL3593913) Show SMILES CCOC(=O)N1C(=O)\C(=C/C=C/c2ccc(cc2)N(C)C)c2ccccc12 Show InChI InChI=1S/C22H22N2O3/c1-4-27-22(26)24-20-11-6-5-9-18(20)19(21(24)25)10-7-8-16-12-14-17(15-13-16)23(2)3/h5-15H,4H2,1-3H3/b8-7+,19-10-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of Thio-T from recombinant alpha-synuclein (unknown origin) expressed in Escherichia coli after 1.5 hrs by fluorescence assay				J Med Chem 58: 6002-17 (2015) Article DOI: 10.1021/acs.jmedchem.5b00571 BindingDB Entry DOI: 10.7270/Q24Q7WRC
					More data for this Ligand-Target Pair
Alpha-synuclein (Homo sapiens (Human))	BDBM50389304 (CHEMBL2063797) Show SMILES [O-][N+](=O)c1ccc2Nc3ccc(OCCF)cc3Sc2c1 Show InChI InChI=1S/C14H11FN2O3S/c15-5-6-20-10-2-4-12-14(8-10)21-13-7-9(17(18)19)1-3-11(13)16-12/h1-4,7-8,16H,5-6H2	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	49	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Binding affinity to human alpha-synuclein expressed in Escherichia coli BL21 (DE3) cells after 1 hr by thioflavin T fluorescence assay				Bioorg Med Chem 20: 4625-34 (2012) Article DOI: 10.1016/j.bmc.2012.06.023 BindingDB Entry DOI: 10.7270/Q25B03J1
					More data for this Ligand-Target Pair
Alpha-synuclein (Homo sapiens (Human))	BDBM481152 (US10906900, Reference 22e) Show SMILES CN(C)c1ccc(cc1)C#Cc1cc2ccc(Cl)nc2[nH]1 Show InChI InChI=1S/C17H14ClN3/c1-21(2)15-8-4-12(5-9-15)3-7-14-11-13-6-10-16(18)20-17(13)19-14/h4-6,8-11H,1-2H3,(H,19,20)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	49.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE; UNIVERSITE D''ORLEANS; UNIVERSITE DE TOURS; CENTRE HOSPITALIER REGIONAL UNIVERSITAIRE DE TOURS; INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) US Patent					Assay Description Table 5: Fresh solutions of the test compounds (2.5 mM in DMSO) are diluted in PBS pH7.4, at concentrations between 0.5 nM and 5 μM in the prese...				US Patent US10906900 (2021) BindingDB Entry DOI: 10.7270/Q2BC42NC
					More data for this Ligand-Target Pair
Alpha-synuclein (Homo sapiens (Human))	BDBM50103963 (CHEMBL3593931) Show SMILES COc1ccc(CN2C(=O)\C(=C\C=C\c3ccc(cc3)[N+]([O-])=O)c3ccccc23)cc1OC Show InChI InChI=1S/C26H22N2O5/c1-32-24-15-12-19(16-25(24)33-2)17-27-23-9-4-3-7-21(23)22(26(27)29)8-5-6-18-10-13-20(14-11-18)28(30)31/h3-16H,17H2,1-2H3/b6-5+,22-8+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	53	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of Thio-T from recombinant alpha-synuclein (unknown origin) expressed in Escherichia coli after 1.5 hrs by fluorescence assay				J Med Chem 58: 6002-17 (2015) Article DOI: 10.1021/acs.jmedchem.5b00571 BindingDB Entry DOI: 10.7270/Q24Q7WRC
					More data for this Ligand-Target Pair
Alpha-synuclein (Homo sapiens (Human))	BDBM50103980 (CHEMBL3593905) Show SMILES CN(C)c1ccc(\C=C\C=C2/C(=O)Nc3ccc(O)cc23)cc1 Show InChI InChI=1S/C19H18N2O2/c1-21(2)14-8-6-13(7-9-14)4-3-5-16-17-12-15(22)10-11-18(17)20-19(16)23/h3-12,22H,1-2H3,(H,20,23)/b4-3+,16-5-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	54	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of Thio-T from recombinant alpha-synuclein (unknown origin) expressed in Escherichia coli after 1.5 hrs by fluorescence assay				J Med Chem 58: 6002-17 (2015) Article DOI: 10.1021/acs.jmedchem.5b00571 BindingDB Entry DOI: 10.7270/Q24Q7WRC
					More data for this Ligand-Target Pair
Alpha-synuclein (Homo sapiens (Human))	BDBM50104060 (CHEMBL3593910) Show SMILES COc1ccc(CN2C(=O)\C(=C/C=C/c3ccc(cc3)N(C)C)c3ccccc23)cc1 Show InChI InChI=1S/C27H26N2O2/c1-28(2)22-15-11-20(12-16-22)7-6-9-25-24-8-4-5-10-26(24)29(27(25)30)19-21-13-17-23(31-3)18-14-21/h4-18H,19H2,1-3H3/b7-6+,25-9-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	55	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of Thio-T from recombinant alpha-synuclein (unknown origin) expressed in Escherichia coli after 1.5 hrs by fluorescence assay				J Med Chem 58: 6002-17 (2015) Article DOI: 10.1021/acs.jmedchem.5b00571 BindingDB Entry DOI: 10.7270/Q24Q7WRC
					More data for this Ligand-Target Pair
Alpha-synuclein (Homo sapiens (Human))	BDBM50389305 (CHEMBL2063798) Show SMILES [O-][N+](=O)c1ccc2Nc3ccc(OC\C=C\I)cc3Sc2c1 Show InChI InChI=1S/C15H11IN2O3S/c16-6-1-7-21-11-3-5-13-15(9-11)22-14-8-10(18(19)20)2-4-12(14)17-13/h1-6,8-9,17H,7H2/b6-1+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	57.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Binding affinity to human alpha-synuclein expressed in Escherichia coli BL21 (DE3) cells after 1 hr by thioflavin T fluorescence assay				Bioorg Med Chem 20: 4625-34 (2012) Article DOI: 10.1016/j.bmc.2012.06.023 BindingDB Entry DOI: 10.7270/Q25B03J1
					More data for this Ligand-Target Pair
Alpha-synuclein (Homo sapiens (Human))	BDBM50103928 (CHEMBL3593902) Show SMILES COc1ccc(\C=C\C=C2/C(=O)Nc3ccccc23)cc1 Show InChI InChI=1S/C18H15NO2/c1-21-14-11-9-13(10-12-14)5-4-7-16-15-6-2-3-8-17(15)19-18(16)20/h2-12H,1H3,(H,19,20)/b5-4+,16-7-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	61	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of Thio-T from recombinant alpha-synuclein (unknown origin) expressed in Escherichia coli after 1.5 hrs by fluorescence assay				J Med Chem 58: 6002-17 (2015) Article DOI: 10.1021/acs.jmedchem.5b00571 BindingDB Entry DOI: 10.7270/Q24Q7WRC
					More data for this Ligand-Target Pair
Alpha-synuclein (Homo sapiens (Human))	BDBM50104058 (CHEMBL3593908) Show SMILES CN(C)c1ccc(\C=C\C=C2/C(=O)N(C)c3ccccc23)cc1 Show InChI InChI=1S/C20H20N2O/c1-21(2)16-13-11-15(12-14-16)7-6-9-18-17-8-4-5-10-19(17)22(3)20(18)23/h4-14H,1-3H3/b7-6+,18-9-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	64	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of Thio-T from recombinant alpha-synuclein (unknown origin) expressed in Escherichia coli after 1.5 hrs by fluorescence assay				J Med Chem 58: 6002-17 (2015) Article DOI: 10.1021/acs.jmedchem.5b00571 BindingDB Entry DOI: 10.7270/Q24Q7WRC
					More data for this Ligand-Target Pair
Alpha-synuclein (Homo sapiens (Human))	BDBM50103937 (CHEMBL3593929) Show SMILES COc1cccc(CN2C(=O)\C(=C\C=C\c3ccc(cc3)[N+]([O-])=O)c3ccccc23)c1 Show InChI InChI=1S/C25H20N2O4/c1-31-21-8-4-7-19(16-21)17-26-24-11-3-2-9-22(24)23(25(26)28)10-5-6-18-12-14-20(15-13-18)27(29)30/h2-16H,17H2,1H3/b6-5+,23-10+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	65	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of Thio-T from recombinant alpha-synuclein (unknown origin) expressed in Escherichia coli after 1.5 hrs by fluorescence assay				J Med Chem 58: 6002-17 (2015) Article DOI: 10.1021/acs.jmedchem.5b00571 BindingDB Entry DOI: 10.7270/Q24Q7WRC
					More data for this Ligand-Target Pair
Alpha-synuclein (Homo sapiens (Human))	BDBM50104107 (CHEMBL3593914) Show SMILES CN(C)c1ccc(\C=C\C=C2/C(=O)N(Cc3ccccc3)c3ncccc23)cc1 Show InChI InChI=1S/C25H23N3O/c1-27(2)21-15-13-19(14-16-21)10-6-11-23-22-12-7-17-26-24(22)28(25(23)29)18-20-8-4-3-5-9-20/h3-17H,18H2,1-2H3/b10-6+,23-11-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	68	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of Thio-T from recombinant alpha-synuclein (unknown origin) expressed in Escherichia coli after 1.5 hrs by fluorescence assay				J Med Chem 58: 6002-17 (2015) Article DOI: 10.1021/acs.jmedchem.5b00571 BindingDB Entry DOI: 10.7270/Q24Q7WRC
					More data for this Ligand-Target Pair
Alpha-synuclein (Homo sapiens (Human))	BDBM50104143 (CHEMBL3593917) Show SMILES CN(C)c1ccc(\C=C\C=C2/C(=O)N(c3ccccc23)c2ccccc2)cc1 Show InChI InChI=1S/C25H22N2O/c1-26(2)20-17-15-19(16-18-20)9-8-13-23-22-12-6-7-14-24(22)27(25(23)28)21-10-4-3-5-11-21/h3-18H,1-2H3/b9-8+,23-13-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	68	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of Thio-T from recombinant alpha-synuclein (unknown origin) expressed in Escherichia coli after 1.5 hrs by fluorescence assay				J Med Chem 58: 6002-17 (2015) Article DOI: 10.1021/acs.jmedchem.5b00571 BindingDB Entry DOI: 10.7270/Q24Q7WRC
					More data for this Ligand-Target Pair
Alpha-synuclein (Homo sapiens (Human))	BDBM50104034 (CHEMBL3593907) Show SMILES COc1ccc(\C=C\C=C2/C(=O)N(Cc3ccccc3)c3ccccc23)cc1 Show InChI InChI=1S/C25H21NO2/c1-28-21-16-14-19(15-17-21)10-7-12-23-22-11-5-6-13-24(22)26(25(23)27)18-20-8-3-2-4-9-20/h2-17H,18H2,1H3/b10-7+,23-12-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	73	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of Thio-T from recombinant alpha-synuclein (unknown origin) expressed in Escherichia coli after 1.5 hrs by fluorescence assay				J Med Chem 58: 6002-17 (2015) Article DOI: 10.1021/acs.jmedchem.5b00571 BindingDB Entry DOI: 10.7270/Q24Q7WRC
					More data for this Ligand-Target Pair
Alpha-synuclein (Homo sapiens (Human))	BDBM50389295 (CHEMBL2063788) Show SMILES [O-][N+](=O)c1ccc2Nc3ccc(Br)cc3Sc2c1 Show InChI InChI=1S/C12H7BrN2O2S/c13-7-1-3-9-11(5-7)18-12-6-8(15(16)17)2-4-10(12)14-9/h1-6,14H	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	75.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Binding affinity to human alpha-synuclein expressed in Escherichia coli BL21 (DE3) cells after 1 hr by thioflavin T fluorescence assay				Bioorg Med Chem 20: 4625-34 (2012) Article DOI: 10.1016/j.bmc.2012.06.023 BindingDB Entry DOI: 10.7270/Q25B03J1
					More data for this Ligand-Target Pair
Alpha-synuclein (Homo sapiens (Human))	BDBM50103965 (CHEMBL3593933) Show SMILES [O-][N+](=O)c1ccc(\C=C\C=C2\C(=O)N(Cc3ccc(OCCF)cc3)c3ccccc23)cc1 Show InChI InChI=1S/C26H21FN2O4/c27-16-17-33-22-14-10-20(11-15-22)18-28-25-7-2-1-5-23(25)24(26(28)30)6-3-4-19-8-12-21(13-9-19)29(31)32/h1-15H,16-18H2/b4-3+,24-6+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	76	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of Thio-T from recombinant alpha-synuclein (unknown origin) expressed in Escherichia coli after 1.5 hrs by fluorescence assay				J Med Chem 58: 6002-17 (2015) Article DOI: 10.1021/acs.jmedchem.5b00571 BindingDB Entry DOI: 10.7270/Q24Q7WRC
					More data for this Ligand-Target Pair
Alpha-synuclein (Homo sapiens (Human))	BDBM50492518 (Florbetapir | US10906900, AV45) Show SMILES CNc1ccc(\C=C\c2ccc(OCCOCCOCCF)nc2)cc1 Show InChI InChI=1S/C20H25FN2O3/c1-22-19-7-4-17(5-8-19)2-3-18-6-9-20(23-16-18)26-15-14-25-13-12-24-11-10-21/h2-9,16,22H,10-15H2,1H3/b3-2+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	76.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE; UNIVERSITE D''ORLEANS; UNIVERSITE DE TOURS; CENTRE HOSPITALIER REGIONAL UNIVERSITAIRE DE TOURS; INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) US Patent					Assay Description Table 5: Fresh solutions of the test compounds (2.5 mM in DMSO) are diluted in PBS pH7.4, at concentrations between 0.5 nM and 5 μM in the prese...				US Patent US10906900 (2021) BindingDB Entry DOI: 10.7270/Q2BC42NC
					More data for this Ligand-Target Pair
Alpha-synuclein (Homo sapiens (Human))	BDBM50103931 (CHEMBL3593900) Show SMILES COc1ccc(CN2C(=O)\C(=C/c3ccc(cc3)N(C)C)c3cccnc23)cc1 Show InChI InChI=1S/C24H23N3O2/c1-26(2)19-10-6-17(7-11-19)15-22-21-5-4-14-25-23(21)27(24(22)28)16-18-8-12-20(29-3)13-9-18/h4-15H,16H2,1-3H3/b22-15-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of Thio-T from recombinant alpha-synuclein (unknown origin) expressed in Escherichia coli after 1.5 hrs by fluorescence assay				J Med Chem 58: 6002-17 (2015) Article DOI: 10.1021/acs.jmedchem.5b00571 BindingDB Entry DOI: 10.7270/Q24Q7WRC
					More data for this Ligand-Target Pair
Alpha-synuclein (Homo sapiens (Human))	BDBM50103935 (CHEMBL3593927) Show SMILES COc1ccc(CN2C(=O)\C(=C\C=C\c3ccc(cc3)[N+]([O-])=O)c3ccccc23)cc1 Show InChI InChI=1S/C25H20N2O4/c1-31-21-15-11-19(12-16-21)17-26-24-8-3-2-6-22(24)23(25(26)28)7-4-5-18-9-13-20(14-10-18)27(29)30/h2-16H,17H2,1H3/b5-4+,23-7+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	82	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of Thio-T from recombinant alpha-synuclein (unknown origin) expressed in Escherichia coli after 1.5 hrs by fluorescence assay				J Med Chem 58: 6002-17 (2015) Article DOI: 10.1021/acs.jmedchem.5b00571 BindingDB Entry DOI: 10.7270/Q24Q7WRC
					More data for this Ligand-Target Pair
Alpha-synuclein (Homo sapiens (Human))	BDBM17747 ((3Z)-3-{[4-(dimethylamino)phenyl]methylidene}-2,3-...) Show SMILES CN(C)c1ccc(\C=C2/C(=O)Nc3ccccc23)cc1 Show InChI InChI=1S/C17H16N2O/c1-19(2)13-9-7-12(8-10-13)11-15-14-5-3-4-6-16(14)18-17(15)20/h3-11H,1-2H3,(H,18,20)/b15-11-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	84	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of Thio-T from recombinant alpha-synuclein (unknown origin) expressed in Escherichia coli after 1.5 hrs by fluorescence assay				J Med Chem 58: 6002-17 (2015) Article DOI: 10.1021/acs.jmedchem.5b00571 BindingDB Entry DOI: 10.7270/Q24Q7WRC
					More data for this Ligand-Target Pair
Alpha-synuclein (Homo sapiens (Human))	BDBM170546 (US9085549, 57 | US9085549, 64) Show SMILES Oc1ccc(cc1O)-c1nsc(n1)-c1ccc(O)c(O)c1 Show InChI InChI=1S/C14H10N2O4S/c17-9-3-1-7(5-11(9)19)13-15-14(21-16-13)8-2-4-10(18)12(20)6-8/h1-6,17-20H	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	89	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
PROTEOTECH INC US Patent					Assay Description The compounds prepared in the preceding examples were found to bind with high affinity to α-synuclein aggregates/fibrils that are found in the h...				US Patent US9085549 (2015) BindingDB Entry DOI: 10.7270/Q2WD3Z9K
					More data for this Ligand-Target Pair
Alpha-synuclein (Homo sapiens (Human))	BDBM50104105 (CHEMBL3593912) Show SMILES CN(C)c1ccc(\C=C\C=C2/C(=O)N(c3ccccc23)c2ccncc2)cc1 Show InChI InChI=1S/C24H21N3O/c1-26(2)19-12-10-18(11-13-19)6-5-8-22-21-7-3-4-9-23(21)27(24(22)28)20-14-16-25-17-15-20/h3-17H,1-2H3/b6-5+,22-8-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	92	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of Thio-T from recombinant alpha-synuclein (unknown origin) expressed in Escherichia coli after 1.5 hrs by fluorescence assay				J Med Chem 58: 6002-17 (2015) Article DOI: 10.1021/acs.jmedchem.5b00571 BindingDB Entry DOI: 10.7270/Q24Q7WRC
					More data for this Ligand-Target Pair
Alpha-synuclein (Homo sapiens (Human))	BDBM170553 (US9085549, 58) Show SMILES Oc1ccc(cc1O)-c1ccc(s1)-c1ccc(O)c(O)c1 Show InChI InChI=1S/C16H12O4S/c17-11-3-1-9(7-13(11)19)15-5-6-16(21-15)10-2-4-12(18)14(20)8-10/h1-8,17-20H	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	105	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
PROTEOTECH INC US Patent					Assay Description The compounds prepared in the preceding examples were found to bind with high affinity to α-synuclein aggregates/fibrils that are found in the h...				US Patent US9085549 (2015) BindingDB Entry DOI: 10.7270/Q2WD3Z9K
					More data for this Ligand-Target Pair
Alpha-synuclein (Homo sapiens (Human))	BDBM50389296 (CHEMBL2063789) Show SMILES [O-][N+](=O)c1ccc2Nc3ccc(I)cc3Sc2c1 Show InChI InChI=1S/C12H7IN2O2S/c13-7-1-3-9-11(5-7)18-12-6-8(15(16)17)2-4-10(12)14-9/h1-6,14H	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	106	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Binding affinity to human alpha-synuclein expressed in Escherichia coli BL21 (DE3) cells after 1 hr by thioflavin T fluorescence assay				Bioorg Med Chem 20: 4625-34 (2012) Article DOI: 10.1016/j.bmc.2012.06.023 BindingDB Entry DOI: 10.7270/Q25B03J1
					More data for this Ligand-Target Pair
Alpha-synuclein (Homo sapiens (Human))	BDBM50103970 (CHEMBL3593896) Show SMILES COc1ccc(CN2C(=O)\C(=C/c3ccc(cc3)N(C)C)c3ccccc23)cc1 Show InChI InChI=1S/C25H24N2O2/c1-26(2)20-12-8-18(9-13-20)16-23-22-6-4-5-7-24(22)27(25(23)28)17-19-10-14-21(29-3)15-11-19/h4-16H,17H2,1-3H3/b23-16-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	115	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of Thio-T from recombinant alpha-synuclein (unknown origin) expressed in Escherichia coli after 1.5 hrs by fluorescence assay				J Med Chem 58: 6002-17 (2015) Article DOI: 10.1021/acs.jmedchem.5b00571 BindingDB Entry DOI: 10.7270/Q24Q7WRC
					More data for this Ligand-Target Pair
Alpha-synuclein (Homo sapiens (Human))	BDBM50389291 (CHEMBL1976750) Show SMILES [O-][N+](=O)c1ccc2Nc3ccccc3Sc2c1 Show InChI InChI=1S/C12H8N2O2S/c15-14(16)8-5-6-10-12(7-8)17-11-4-2-1-3-9(11)13-10/h1-7,13H	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	117	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Binding affinity to human alpha-synuclein expressed in Escherichia coli BL21 (DE3) cells after 1 hr by thioflavin T fluorescence assay				Bioorg Med Chem 20: 4625-34 (2012) Article DOI: 10.1016/j.bmc.2012.06.023 BindingDB Entry DOI: 10.7270/Q25B03J1
					More data for this Ligand-Target Pair
Alpha-synuclein (Homo sapiens (Human))	BDBM50389292 (CHEMBL2063785) Show SMILES COc1ccc2Nc3ccc(OC)cc3Sc2c1 Show InChI InChI=1S/C14H13NO2S/c1-16-9-3-5-11-13(7-9)18-14-8-10(17-2)4-6-12(14)15-11/h3-8,15H,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	122	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Binding affinity to human alpha-synuclein expressed in Escherichia coli BL21 (DE3) cells after 1 hr by thioflavin T fluorescence assay				Bioorg Med Chem 20: 4625-34 (2012) Article DOI: 10.1016/j.bmc.2012.06.023 BindingDB Entry DOI: 10.7270/Q25B03J1
					More data for this Ligand-Target Pair
Alpha-synuclein (Homo sapiens (Human))	BDBM50103966 (CHEMBL3593893) Show SMILES CN(C)c1ccc(\C=C2/C(=O)Nc3ncccc23)cc1 Show InChI InChI=1S/C16H15N3O/c1-19(2)12-7-5-11(6-8-12)10-14-13-4-3-9-17-15(13)18-16(14)20/h3-10H,1-2H3,(H,17,18,20)/b14-10-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	124	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of Thio-T from recombinant alpha-synuclein (unknown origin) expressed in Escherichia coli after 1.5 hrs by fluorescence assay				J Med Chem 58: 6002-17 (2015) Article DOI: 10.1021/acs.jmedchem.5b00571 BindingDB Entry DOI: 10.7270/Q24Q7WRC
					More data for this Ligand-Target Pair
Alpha-synuclein (Homo sapiens (Human))	BDBM170546 (US9085549, 57 | US9085549, 64) Show SMILES Oc1ccc(cc1O)-c1nsc(n1)-c1ccc(O)c(O)c1 Show InChI InChI=1S/C14H10N2O4S/c17-9-3-1-7(5-11(9)19)13-15-14(21-16-13)8-2-4-10(18)12(20)6-8/h1-6,17-20H	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	124	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
PROTEOTECH INC US Patent					Assay Description The compounds prepared in the preceding examples were found to bind with high affinity to α-synuclein aggregates/fibrils that are found in the h...				US Patent US9085549 (2015) BindingDB Entry DOI: 10.7270/Q2WD3Z9K
					More data for this Ligand-Target Pair

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