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PubMed code 26177091

Compile data set for download or QSAR
Found 138 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/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
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


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))
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


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
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


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
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


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))
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


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
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


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
Beta amyloid A4 protein


(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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15n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of Thio-T from amyloid beta (1 to 42) (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))
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


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))
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


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
Tau


(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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27n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of Thio-T from human recombinant tau (243 to 375) expressed in Escherichia coli BL21(DE3)RIL 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
Beta amyloid A4 protein


(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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28n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of Thio-T from amyloid beta (1 to 42) (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))
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


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
Tau


(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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35n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of Thio-T from human recombinant tau (243 to 375) expressed in Escherichia coli BL21(DE3)RIL 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
Beta amyloid A4 protein


(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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36n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of Thio-T from amyloid beta (1 to 42) (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
Beta amyloid A4 protein


(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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37n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of Thio-T from amyloid beta (1 to 42) (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
Tau


(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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38n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of Thio-T from human recombinant tau (243 to 375) expressed in Escherichia coli BL21(DE3)RIL 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
Beta amyloid A4 protein


(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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40n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of Thio-T from amyloid beta (1 to 42) (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
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


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))
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


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
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


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
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


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
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


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
Beta amyloid A4 protein


(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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46n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of Thio-T from amyloid beta (1 to 42) (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
Tau


(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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48n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of Thio-T from human recombinant tau (243 to 375) expressed in Escherichia coli BL21(DE3)RIL 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
Beta amyloid A4 protein


(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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51n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of Thio-T from amyloid beta (1 to 42) (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))
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


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
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


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
Tau


(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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54n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of Thio-T from human recombinant tau (243 to 375) expressed in Escherichia coli BL21(DE3)RIL 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
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


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
Beta amyloid A4 protein


(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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56n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of Thio-T from amyloid beta (1 to 42) (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
Beta amyloid A4 protein


(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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60n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of Thio-T from amyloid beta (1 to 42) (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))
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


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
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


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
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


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
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


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
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


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
Tau


(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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72n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of Thio-T from human recombinant tau (243 to 375) expressed in Escherichia coli BL21(DE3)RIL 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
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


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
Beta amyloid A4 protein


(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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74n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of Thio-T from amyloid beta (1 to 42) (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))
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


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))
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


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
Tau


(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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80n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of Thio-T from human recombinant tau (243 to 375) expressed in Escherichia coli BL21(DE3)RIL 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
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


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
Beta amyloid A4 protein


(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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84n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of Thio-T from amyloid beta (1 to 42) (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
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


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
Beta amyloid A4 protein


(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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85n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of Thio-T from amyloid beta (1 to 42) (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
Beta amyloid A4 protein


(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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87n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of Thio-T from amyloid beta (1 to 42) (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
Tau


(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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90n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of Thio-T from human recombinant tau (243 to 375) expressed in Escherichia coli BL21(DE3)RIL 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))
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


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
Beta amyloid A4 protein


(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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92n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of Thio-T from amyloid beta (1 to 42) (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
Beta amyloid A4 protein


(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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92n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of Thio-T from amyloid beta (1 to 42) (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
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM50103968
PNG
(CHEMBL3593894)
Show SMILES CN(C)c1ccc(\C=C2/C(=O)Nc3ccc(O)cc23)cc1
Show InChI InChI=1S/C17H16N2O2/c1-19(2)12-5-3-11(4-6-12)9-15-14-10-13(20)7-8-16(14)18-17(15)21/h3-10,20H,1-2H3,(H,18,21)/b15-9-
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95n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of Thio-T from amyloid beta (1 to 42) (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
Beta amyloid A4 protein


(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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99n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of Thio-T from amyloid beta (1 to 42) (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
Beta amyloid A4 protein


(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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107n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of Thio-T from amyloid beta (1 to 42) (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
Beta amyloid A4 protein


(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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110n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of Thio-T from amyloid beta (1 to 42) (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
Beta amyloid A4 protein


(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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113n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of Thio-T from amyloid beta (1 to 42) (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))
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


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
Tau


(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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122n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of Thio-T from human recombinant tau (243 to 375) expressed in Escherichia coli BL21(DE3)RIL 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))
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


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
Beta amyloid A4 protein


(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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125n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of Thio-T from amyloid beta (1 to 42) (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
Beta amyloid A4 protein


(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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126n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of Thio-T from amyloid beta (1 to 42) (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
Beta amyloid A4 protein


(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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130n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of Thio-T from amyloid beta (1 to 42) (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
Beta amyloid A4 protein


(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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130n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of Thio-T from amyloid beta (1 to 42) (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
Beta amyloid A4 protein


(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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131n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of Thio-T from amyloid beta (1 to 42) (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
Tau


(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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131n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of Thio-T from human recombinant tau (243 to 375) expressed in Escherichia coli BL21(DE3)RIL 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
Beta amyloid A4 protein


(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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139n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of Thio-T from amyloid beta (1 to 42) (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
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM50103972
PNG
(CHEMBL3593898)
Show SMILES CCOC(=O)N1C(=O)\C(=C/c2ccc(cc2)N(C)C)c2ccccc12
Show InChI InChI=1S/C20H20N2O3/c1-4-25-20(24)22-18-8-6-5-7-16(18)17(19(22)23)13-14-9-11-15(12-10-14)21(2)3/h5-13H,4H2,1-3H3/b17-13-
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140n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of Thio-T from amyloid beta (1 to 42) (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
Beta amyloid A4 protein


(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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142n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of Thio-T from amyloid beta (1 to 42) (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))
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


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))
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


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
Tau


(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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152n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of Thio-T from human recombinant tau (243 to 375) expressed in Escherichia coli BL21(DE3)RIL 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
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM50065315
PNG
(3-[1-(4-Dimethylamino-phenyl)-meth-(Z)-ylidene]-1-...)
Show SMILES CN(C)c1ccc(\C=C2/C(=O)N(C)c3ccccc23)cc1
Show InChI InChI=1S/C18H18N2O/c1-19(2)14-10-8-13(9-11-14)12-16-15-6-4-5-7-17(15)20(3)18(16)21/h4-12H,1-3H3/b16-12-
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155n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of Thio-T from amyloid beta (1 to 42) (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
Tau


(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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169n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of Thio-T from human recombinant tau (243 to 375) expressed in Escherichia coli BL21(DE3)RIL 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
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM50103930
PNG
(CHEMBL3593252)
Show SMILES CN(C)c1ccc(\C=C2/C(=O)N(c3ccccc23)c2ccccc2)cc1
Show InChI InChI=1S/C23H20N2O/c1-24(2)18-14-12-17(13-15-18)16-21-20-10-6-7-11-22(20)25(23(21)26)19-8-4-3-5-9-19/h3-16H,1-2H3/b21-16-
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179n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of Thio-T from amyloid beta (1 to 42) (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
Tau


(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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188n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of Thio-T from human recombinant tau (243 to 375) expressed in Escherichia coli BL21(DE3)RIL 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
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM50103976
PNG
(CHEMBL3593899)
Show SMILES CN(C)c1ccc(\C=C2/C(=O)N(Cc3ccccc3)c3ncccc23)cc1
Show InChI InChI=1S/C23H21N3O/c1-25(2)19-12-10-17(11-13-19)15-21-20-9-6-14-24-22(20)26(23(21)27)16-18-7-4-3-5-8-18/h3-15H,16H2,1-2H3/b21-15-
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190n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of Thio-T from amyloid beta (1 to 42) (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
Tau


(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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191n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of Thio-T from human recombinant tau (243 to 375) expressed in Escherichia coli BL21(DE3)RIL 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))
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


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
Tau


(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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204n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of Thio-T from human recombinant tau (243 to 375) expressed in Escherichia coli BL21(DE3)RIL 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))
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


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
Tau


(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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209n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of Thio-T from human recombinant tau (243 to 375) expressed in Escherichia coli BL21(DE3)RIL 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))
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


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
Tau


(Homo sapiens (Human))
BDBM50103968
PNG
(CHEMBL3593894)
Show SMILES CN(C)c1ccc(\C=C2/C(=O)Nc3ccc(O)cc23)cc1
Show InChI InChI=1S/C17H16N2O2/c1-19(2)12-5-3-11(4-6-12)9-15-14-10-13(20)7-8-16(14)18-17(15)21/h3-10,20H,1-2H3,(H,18,21)/b15-9-
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212n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of Thio-T from human recombinant tau (243 to 375) expressed in Escherichia coli BL21(DE3)RIL 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
Beta amyloid A4 protein


(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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214n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of Thio-T from amyloid beta (1 to 42) (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))
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


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
Tau


(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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229n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of Thio-T from human recombinant tau (243 to 375) expressed in Escherichia coli BL21(DE3)RIL 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
Tau


(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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229n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of Thio-T from human recombinant tau (243 to 375) expressed in Escherichia coli BL21(DE3)RIL 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
Beta amyloid A4 protein


(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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235n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of Thio-T from amyloid beta (1 to 42) (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
Tau


(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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240n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of Thio-T from human recombinant tau (243 to 375) expressed in Escherichia coli BL21(DE3)RIL 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
Beta amyloid A4 protein


(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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252n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of Thio-T from amyloid beta (1 to 42) (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
Tau


(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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257n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of Thio-T from human recombinant tau (243 to 375) expressed in Escherichia coli BL21(DE3)RIL 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
Beta amyloid A4 protein


(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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260n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of Thio-T from amyloid beta (1 to 42) (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
Tau


(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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262n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of Thio-T from human recombinant tau (243 to 375) expressed in Escherichia coli BL21(DE3)RIL 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
Tau


(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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263n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of Thio-T from human recombinant tau (243 to 375) expressed in Escherichia coli BL21(DE3)RIL 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
Beta amyloid A4 protein


(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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265n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of Thio-T from amyloid beta (1 to 42) (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
Beta amyloid A4 protein


(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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267n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of Thio-T from amyloid beta (1 to 42) (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
Beta amyloid A4 protein


(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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287n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of Thio-T from amyloid beta (1 to 42) (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))
BDBM50103930
PNG
(CHEMBL3593252)
Show SMILES CN(C)c1ccc(\C=C2/C(=O)N(c3ccccc23)c2ccccc2)cc1
Show InChI InChI=1S/C23H20N2O/c1-24(2)18-14-12-17(13-15-18)16-21-20-10-6-7-11-22(20)25(23(21)26)19-8-4-3-5-9-19/h3-16H,1-2H3/b21-16-
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290n/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


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
Tau


(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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318n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of Thio-T from human recombinant tau (243 to 375) expressed in Escherichia coli BL21(DE3)RIL 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
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM108083
PNG
(3-(4-nitrobenzylidene)indolin-2-one (Compound 24))
Show SMILES [O-][N+](=O)c1ccc(\C=C2/C(=O)Nc3ccccc23)cc1
Show InChI InChI=1S/C15H10N2O3/c18-15-13(12-3-1-2-4-14(12)16-15)9-10-5-7-11(8-6-10)17(19)20/h1-9H,(H,16,18)/b13-9-
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325n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of Thio-T from amyloid beta (1 to 42) (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))
BDBM50103972
PNG
(CHEMBL3593898)
Show SMILES CCOC(=O)N1C(=O)\C(=C/c2ccc(cc2)N(C)C)c2ccccc12
Show InChI InChI=1S/C20H20N2O3/c1-4-25-20(24)22-18-8-6-5-7-16(18)17(19(22)23)13-14-9-11-15(12-10-14)21(2)3/h5-13H,4H2,1-3H3/b17-13-
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343n/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


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))
BDBM108083
PNG
(3-(4-nitrobenzylidene)indolin-2-one (Compound 24))
Show SMILES [O-][N+](=O)c1ccc(\C=C2/C(=O)Nc3ccccc23)cc1
Show InChI InChI=1S/C15H10N2O3/c18-15-13(12-3-1-2-4-14(12)16-15)9-10-5-7-11(8-6-10)17(19)20/h1-9H,(H,16,18)/b13-9-
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347n/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


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))
BDBM50103976
PNG
(CHEMBL3593899)
Show SMILES CN(C)c1ccc(\C=C2/C(=O)N(Cc3ccccc3)c3ncccc23)cc1
Show InChI InChI=1S/C23H21N3O/c1-25(2)19-12-10-17(11-13-19)15-21-20-9-6-14-24-22(20)26(23(21)27)16-18-7-4-3-5-8-18/h3-15H,16H2,1-2H3/b21-15-
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350n/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


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
Tau


(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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355n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of Thio-T from human recombinant tau (243 to 375) expressed in Escherichia coli BL21(DE3)RIL 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
Beta amyloid A4 protein


(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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358n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of Thio-T from amyloid beta (1 to 42) (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
Tau


(Homo sapiens (Human))
BDBM108083
PNG
(3-(4-nitrobenzylidene)indolin-2-one (Compound 24))
Show SMILES [O-][N+](=O)c1ccc(\C=C2/C(=O)Nc3ccccc23)cc1
Show InChI InChI=1S/C15H10N2O3/c18-15-13(12-3-1-2-4-14(12)16-15)9-10-5-7-11(8-6-10)17(19)20/h1-9H,(H,16,18)/b13-9-
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363n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of Thio-T from human recombinant tau (243 to 375) expressed in Escherichia coli BL21(DE3)RIL 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
Tau


(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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364n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of Thio-T from human recombinant tau (243 to 375) expressed in Escherichia coli BL21(DE3)RIL 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
Tau


(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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374n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of Thio-T from human recombinant tau (243 to 375) expressed in Escherichia coli BL21(DE3)RIL 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))
BDBM50103968
PNG
(CHEMBL3593894)
Show SMILES CN(C)c1ccc(\C=C2/C(=O)Nc3ccc(O)cc23)cc1
Show InChI InChI=1S/C17H16N2O2/c1-19(2)12-5-3-11(4-6-12)9-15-14-10-13(20)7-8-16(14)18-17(15)21/h3-10,20H,1-2H3,(H,18,21)/b15-9-
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407n/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


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
Tau


(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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432n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of Thio-T from human recombinant tau (243 to 375) expressed in Escherichia coli BL21(DE3)RIL 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
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM50104115
PNG
(CHEMBL3593919)
Show SMILES [O-][N+](=O)c1ccc(\C=C2\C(=O)Nc3ccccc23)cc1
Show InChI InChI=1S/C15H10N2O3/c18-15-13(12-3-1-2-4-14(12)16-15)9-10-5-7-11(8-6-10)17(19)20/h1-9H,(H,16,18)/b13-9+
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439n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of Thio-T from amyloid beta (1 to 42) (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
Tau


(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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456n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of Thio-T from human recombinant tau (243 to 375) expressed in Escherichia coli BL21(DE3)RIL 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
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM50104111
PNG
(CHEMBL3593920)
Show SMILES [O-][N+](=O)c1ccc(\C=C2/C(=O)N(Cc3ccccc3)c3ccccc23)cc1
Show InChI InChI=1S/C22H16N2O3/c25-22-20(14-16-10-12-18(13-11-16)24(26)27)19-8-4-5-9-21(19)23(22)15-17-6-2-1-3-7-17/h1-14H,15H2/b20-14-
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460n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of Thio-T from amyloid beta (1 to 42) (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
Tau


(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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465n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of Thio-T from human recombinant tau (243 to 375) expressed in Escherichia coli BL21(DE3)RIL 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))
BDBM50104111
PNG
(CHEMBL3593920)
Show SMILES [O-][N+](=O)c1ccc(\C=C2/C(=O)N(Cc3ccccc3)c3ccccc23)cc1
Show InChI InChI=1S/C22H16N2O3/c25-22-20(14-16-10-12-18(13-11-16)24(26)27)19-8-4-5-9-21(19)23(22)15-17-6-2-1-3-7-17/h1-14H,15H2/b20-14-
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483n/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


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))
BDBM50065315
PNG
(3-[1-(4-Dimethylamino-phenyl)-meth-(Z)-ylidene]-1-...)
Show SMILES CN(C)c1ccc(\C=C2/C(=O)N(C)c3ccccc23)cc1
Show InChI InChI=1S/C18H18N2O/c1-19(2)14-10-8-13(9-11-14)12-16-15-6-4-5-7-17(15)20(3)18(16)21/h4-12H,1-3H3/b16-12-
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508n/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


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
Tau


(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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522n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of Thio-T from human recombinant tau (243 to 375) expressed in Escherichia coli BL21(DE3)RIL 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
Tau


(Homo sapiens (Human))
BDBM50104115
PNG
(CHEMBL3593919)
Show SMILES [O-][N+](=O)c1ccc(\C=C2\C(=O)Nc3ccccc23)cc1
Show InChI InChI=1S/C15H10N2O3/c18-15-13(12-3-1-2-4-14(12)16-15)9-10-5-7-11(8-6-10)17(19)20/h1-9H,(H,16,18)/b13-9+
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529n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of Thio-T from human recombinant tau (243 to 375) expressed in Escherichia coli BL21(DE3)RIL 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
Tau


(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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591n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of Thio-T from human recombinant tau (243 to 375) expressed in Escherichia coli BL21(DE3)RIL 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
Tau


(Homo sapiens (Human))
BDBM50065315
PNG
(3-[1-(4-Dimethylamino-phenyl)-meth-(Z)-ylidene]-1-...)
Show SMILES CN(C)c1ccc(\C=C2/C(=O)N(C)c3ccccc23)cc1
Show InChI InChI=1S/C18H18N2O/c1-19(2)14-10-8-13(9-11-14)12-16-15-6-4-5-7-17(15)20(3)18(16)21/h4-12H,1-3H3/b16-12-
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618n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of Thio-T from human recombinant tau (243 to 375) expressed in Escherichia coli BL21(DE3)RIL 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))
BDBM50104115
PNG
(CHEMBL3593919)
Show SMILES [O-][N+](=O)c1ccc(\C=C2\C(=O)Nc3ccccc23)cc1
Show InChI InChI=1S/C15H10N2O3/c18-15-13(12-3-1-2-4-14(12)16-15)9-10-5-7-11(8-6-10)17(19)20/h1-9H,(H,16,18)/b13-9+
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622n/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


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
Tau


(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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630n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of Thio-T from human recombinant tau (243 to 375) expressed in Escherichia coli BL21(DE3)RIL 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
Tau


(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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682n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of Thio-T from human recombinant tau (243 to 375) expressed in Escherichia coli BL21(DE3)RIL 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
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM50104110
PNG
(CHEMBL3593921)
Show SMILES [O-][N+](=O)c1ccc(\C=C2\C(=O)N(Cc3ccccc3)c3ccccc23)cc1
Show InChI InChI=1S/C22H16N2O3/c25-22-20(14-16-10-12-18(13-11-16)24(26)27)19-8-4-5-9-21(19)23(22)15-17-6-2-1-3-7-17/h1-14H,15H2/b20-14+
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695n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of Thio-T from amyloid beta (1 to 42) (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
Beta amyloid A4 protein


(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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703n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of Thio-T from amyloid beta (1 to 42) (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
Tau


(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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718n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of Thio-T from human recombinant tau (243 to 375) expressed in Escherichia coli BL21(DE3)RIL 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
Beta amyloid A4 protein


(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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741n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of Thio-T from amyloid beta (1 to 42) (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
Tau


(Homo sapiens (Human))
BDBM50103930
PNG
(CHEMBL3593252)
Show SMILES CN(C)c1ccc(\C=C2/C(=O)N(c3ccccc23)c2ccccc2)cc1
Show InChI InChI=1S/C23H20N2O/c1-24(2)18-14-12-17(13-15-18)16-21-20-10-6-7-11-22(20)25(23(21)26)19-8-4-3-5-9-19/h3-16H,1-2H3/b21-16-
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790n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of Thio-T from human recombinant tau (243 to 375) expressed in Escherichia coli BL21(DE3)RIL 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
Tau


(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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798n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of Thio-T from human recombinant tau (243 to 375) expressed in Escherichia coli BL21(DE3)RIL 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
Tau


(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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854n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of Thio-T from human recombinant tau (243 to 375) expressed in Escherichia coli BL21(DE3)RIL 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
Tau


(Homo sapiens (Human))
BDBM50103976
PNG
(CHEMBL3593899)
Show SMILES CN(C)c1ccc(\C=C2/C(=O)N(Cc3ccccc3)c3ncccc23)cc1
Show InChI InChI=1S/C23H21N3O/c1-25(2)19-12-10-17(11-13-19)15-21-20-9-6-14-24-22(20)26(23(21)27)16-18-7-4-3-5-8-18/h3-15H,16H2,1-2H3/b21-15-
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859n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of Thio-T from human recombinant tau (243 to 375) expressed in Escherichia coli BL21(DE3)RIL 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))
BDBM50104110
PNG
(CHEMBL3593921)
Show SMILES [O-][N+](=O)c1ccc(\C=C2\C(=O)N(Cc3ccccc3)c3ccccc23)cc1
Show InChI InChI=1S/C22H16N2O3/c25-22-20(14-16-10-12-18(13-11-16)24(26)27)19-8-4-5-9-21(19)23(22)15-17-6-2-1-3-7-17/h1-14H,15H2/b20-14+
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959n/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


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
Tau


(Homo sapiens (Human))
BDBM50103972
PNG
(CHEMBL3593898)
Show SMILES CCOC(=O)N1C(=O)\C(=C/c2ccc(cc2)N(C)C)c2ccccc12
Show InChI InChI=1S/C20H20N2O3/c1-4-25-20(24)22-18-8-6-5-7-16(18)17(19(22)23)13-14-9-11-15(12-10-14)21(2)3/h5-13H,4H2,1-3H3/b17-13-
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1.12E+3n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of Thio-T from human recombinant tau (243 to 375) expressed in Escherichia coli BL21(DE3)RIL 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
Tau


(Homo sapiens (Human))
BDBM50104110
PNG
(CHEMBL3593921)
Show SMILES [O-][N+](=O)c1ccc(\C=C2\C(=O)N(Cc3ccccc3)c3ccccc23)cc1
Show InChI InChI=1S/C22H16N2O3/c25-22-20(14-16-10-12-18(13-11-16)24(26)27)19-8-4-5-9-21(19)23(22)15-17-6-2-1-3-7-17/h1-14H,15H2/b20-14+
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1.41E+3n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of Thio-T from human recombinant tau (243 to 375) expressed in Escherichia coli BL21(DE3)RIL 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
Tau


(Homo sapiens (Human))
BDBM50104111
PNG
(CHEMBL3593920)
Show SMILES [O-][N+](=O)c1ccc(\C=C2/C(=O)N(Cc3ccccc3)c3ccccc23)cc1
Show InChI InChI=1S/C22H16N2O3/c25-22-20(14-16-10-12-18(13-11-16)24(26)27)19-8-4-5-9-21(19)23(22)15-17-6-2-1-3-7-17/h1-14H,15H2/b20-14-
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1.76E+3n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of Thio-T from human recombinant tau (243 to 375) expressed in Escherichia coli BL21(DE3)RIL 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))
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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n/an/an/a 8.90n/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to recombinant alpha-synuclein (unknown origin) expressed in Escherichia coli after 1 hr by scintillation counting


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
Beta amyloid A4 protein


(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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n/an/an/a 271n/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity amyloid beta (1 to 42) (unknown origin) expressed in Escherichia coli after 1 hr by scintillation counting


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
Tau


(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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n/an/an/a 50n/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity human recombinant tau (243 to 375) expressed in Escherichia coli BL21(DE3)RIL after 1 hr by scintillation counting


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
* indicates data uncertainty>20%