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Found 205 hits Enz. Inhib. hit(s) with Target = 'Alpha-synuclein' AND taxid = 9606   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Alpha-synuclein


(Homo sapiens (Human))
BDBM50103964
PNG
(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-
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2.10n/an/an/an/an/an/an/an/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


Citation and Details
More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM50103961
PNG
(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-
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3.5n/an/an/an/an/an/an/an/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


Citation and Details
More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM50103936
PNG
(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-
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3.80n/an/an/an/an/an/an/an/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


Citation and Details
More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM50104103
PNG
(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-
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4.20n/an/an/an/an/an/an/an/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


Citation and Details
More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM50103979
PNG
(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-
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12n/an/an/an/an/an/an/an/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


Citation and Details
More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM50103934
PNG
(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-
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13n/an/an/an/an/an/an/an/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


Citation and Details
More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM50104109
PNG
(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-
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15n/an/an/an/an/an/an/an/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


Citation and Details
More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM50103932
PNG
(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-
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25n/an/an/an/an/an/an/an/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


Citation and Details
More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM50104145
PNG
(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-
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30n/an/an/an/an/an/an/an/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


Citation and Details
More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM50389294
PNG
(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
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32.1n/an/an/an/an/an/an/an/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


Citation and Details
More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM50103927
PNG
(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-
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41n/an/an/an/an/an/an/an/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


Citation and Details
More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM50104059
PNG
(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-
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41n/an/an/an/an/an/an/an/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


Citation and Details
More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM50104144
PNG
(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-
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44n/an/an/an/an/an/an/an/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


Citation and Details
More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM50104116
PNG
(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-
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45n/an/an/an/an/an/an/an/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


Citation and Details
More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM50104106
PNG
(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-
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45n/an/an/an/an/an/an/an/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


Citation and Details
More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM50389304
PNG
(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
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49n/an/an/an/an/an/an/an/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


Citation and Details
More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM50103963
PNG
(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+
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53n/an/an/an/an/an/an/an/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


Citation and Details
More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM50103980
PNG
(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-
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54n/an/an/an/an/an/an/an/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


Citation and Details
More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM50104060
PNG
(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-
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55n/an/an/an/an/an/an/an/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


Citation and Details
More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM50389305
PNG
(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+
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57.9n/an/an/an/an/an/an/an/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


Citation and Details
More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM50103928
PNG
(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-
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61n/an/an/an/an/an/an/an/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


Citation and Details
More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM50104058
PNG
(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-
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64n/an/an/an/an/an/an/an/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


Citation and Details
More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM50103937
PNG
(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+
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65n/an/an/an/an/an/an/an/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


Citation and Details
More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM50104107
PNG
(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-
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68n/an/an/an/an/an/an/an/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


Citation and Details
More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM50104143
PNG
(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-
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68n/an/an/an/an/an/an/an/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


Citation and Details
More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM50104034
PNG
(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-
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73n/an/an/an/an/an/an/an/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


Citation and Details
More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM50389295
PNG
(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
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75.3n/an/an/an/an/an/an/an/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


Citation and Details
More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM50103965
PNG
(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+
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76n/an/an/an/an/an/an/an/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


Citation and Details
More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM50103931
PNG
(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-
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80n/an/an/an/an/an/an/an/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


Citation and Details
More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM50103935
PNG
(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+
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82n/an/an/an/an/an/an/an/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


Citation and Details
More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM17747
PNG
((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-
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84n/an/an/an/an/an/an/an/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


Citation and Details
More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM170546
PNG
(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
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89n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM50104105
PNG
(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-
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92n/an/an/an/an/an/an/an/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


Citation and Details
More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM170553
PNG
(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
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105n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM50389296
PNG
(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
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106n/an/an/an/an/an/an/an/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


Citation and Details
More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM50103970
PNG
(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-
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115n/an/an/an/an/an/an/an/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


Citation and Details
More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM50389291
PNG
(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
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117n/an/an/an/an/an/an/an/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


Citation and Details
More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM50389292
PNG
(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
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122n/an/an/an/an/an/an/an/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


Citation and Details
More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM170546
PNG
(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
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124n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM50103966
PNG
(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-
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124n/an/an/an/an/an/an/an/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


Citation and Details
More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM170556
PNG
(US9085549, 66)
Show SMILES Oc1ccc(cc1O)-c1nnc(s1)-c1cc(O)c(O)cc1Br
Show InChI InChI=1S/C14H9BrN2O4S/c15-8-5-12(21)11(20)4-7(8)14-17-16-13(22-14)6-1-2-9(18)10(19)3-6/h1-5,18-21H
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135n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM50103969
PNG
(CHEMBL3593895)
Show SMILES CN(C)c1ccc(\C=C2/C(=O)N(Cc3ccccc3)c3ccccc23)cc1
Show InChI InChI=1S/C24H22N2O/c1-25(2)20-14-12-18(13-15-20)16-22-21-10-6-7-11-23(21)26(24(22)27)17-19-8-4-3-5-9-19/h3-16H,17H2,1-2H3/b22-16-
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144n/an/an/an/an/an/an/an/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


Citation and Details
More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM50103971
PNG
(CHEMBL3593897)
Show SMILES CN(C)c1ccc(\C=C2/C(=O)N(c3ccccc23)c2ccncc2)cc1
Show InChI InChI=1S/C22H19N3O/c1-24(2)17-9-7-16(8-10-17)15-20-19-5-3-4-6-21(19)25(22(20)26)18-11-13-23-14-12-18/h3-15H,1-2H3/b20-15-
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150n/an/an/an/an/an/an/an/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


Citation and Details
More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM170564
PNG
(US9085549, 82)
Show SMILES Oc1ccc(cc1O)-c1cnc(s1)-c1cc(O)c(O)cc1Br
Show InChI InChI=1S/C15H10BrNO4S/c16-9-5-13(21)12(20)4-8(9)15-17-6-14(22-15)7-1-2-10(18)11(19)3-7/h1-6,18-21H
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177n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM50103933
PNG
(CHEMBL3593925)
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+
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193n/an/an/an/an/an/an/an/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


Citation and Details
More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM50103929
PNG
(CHEMBL3593901)
Show SMILES O=C1Nc2ccccc2\C1=C\C=C\c1ccccc1
Show InChI InChI=1S/C17H13NO/c19-17-15(14-10-4-5-12-16(14)18-17)11-6-9-13-7-2-1-3-8-13/h1-12H,(H,18,19)/b9-6+,15-11-
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207n/an/an/an/an/an/an/an/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


Citation and Details
More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM50104108
PNG
(CHEMBL3593923)
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+
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211n/an/an/an/an/an/an/an/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


Citation and Details
More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM170562
PNG
(US9085549, 76)
Show SMILES COc1cc(ccc1O)-c1nnc(s1)-c1cc(O)c(O)cc1I
Show InChI InChI=1S/C15H11IN2O4S/c1-22-13-4-7(2-3-10(13)19)14-17-18-15(23-14)8-5-11(20)12(21)6-9(8)16/h2-6,19-21H,1H3
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US Patent
219n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM170545
PNG
(US9085549, 86)
Show SMILES Oc1ccc(cc1O)-c1ncc(s1)-c1cc(O)c(O)cc1Br
Show InChI InChI=1S/C15H10BrNO4S/c16-9-5-13(21)12(20)4-8(9)14-6-17-15(22-14)7-1-2-10(18)11(19)3-7/h1-6,18-21H
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224n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Alpha-synuclein


(Homo sapiens (Human))
BDBM50103981
PNG
(CHEMBL3593906)
Show SMILES O=C1N(Cc2ccccc2)c2ccccc2\C1=C\C=C\c1ccccc1
Show InChI InChI=1S/C24H19NO/c26-24-22(16-9-14-19-10-3-1-4-11-19)21-15-7-8-17-23(21)25(24)18-20-12-5-2-6-13-20/h1-17H,18H2/b14-9+,22-16-
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227n/an/an/an/an/an/an/an/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


Citation and Details
More data for this
Ligand-Target Pair
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