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Compile Data Set for Download or QSAR

Found 160 hits Enz. Inhib. hit(s) with Target = 'Tau'   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tau


(Homo sapiens (Human))
BDBM50384537
PNG
(CHEMBL2036430)
Show SMILES CN(C)c1ccc(cc1)\N=N\c1nc2ccc(I)cc2s1
Show InChI InChI=1S/C15H13IN4S/c1-20(2)12-6-4-11(5-7-12)18-19-15-17-13-8-3-10(16)9-14(13)21-15/h3-9H,1-2H3/b19-18+
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0.480n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of Thioflavin S from recombinant human tau expressed in Escherichia coli after 30 mins by fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
Tau


(Homo sapiens (Human))
BDBM47032
PNG
(2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl...)
Show SMILES Cc1c(OCC(F)(F)F)ccnc1CS(=O)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C16H14F3N3O2S/c1-10-13(20-7-6-14(10)24-9-16(17,18)19)8-25(23)15-21-11-4-2-3-5-12(11)22-15/h2-7H,8-9H2,1H3,(H,21,22)
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2.5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to heparin induced human Tau 441 at 50 pM to 500 nM after 30 mins


Citation and Details
More data for this
Ligand-Target Pair
Tau


(Homo sapiens (Human))
BDBM247405
PNG
(US9452985, THK-5125)
Show SMILES CCNc1ccc(cc1)-c1ccc2cc(OCC(O)CF)ccc2n1
Show InChI InChI=1/C20H21FN2O2/c1-2-22-16-6-3-14(4-7-16)19-9-5-15-11-18(8-10-20(15)23-19)25-13-17(24)12-21/h3-11,17,22,24H,2,12-13H2,1H3
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9.20n/an/an/an/an/an/an/an/a



GE Healthcare Limited

US Patent


Assay Description
For tau imaging probes other than THK-5105, binding to K18-ΔK280 aggregates was evaluated with a competitive binding test using [18F] THK-5105 a...


US Patent US9452985 (2016)

More data for this
Ligand-Target Pair
Tau


(Homo sapiens (Human))
BDBM247403
PNG
(US9452985, THK-5117)
Show SMILES CNc1ccc(cc1)-c1ccc2cc(OCC(O)CF)ccc2n1
Show InChI InChI=1/C19H19FN2O2/c1-21-15-5-2-13(3-6-15)18-8-4-14-10-17(7-9-19(14)22-18)24-12-16(23)11-20/h2-10,16,21,23H,11-12H2,1H3
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10.5n/an/an/an/an/an/an/an/a



GE Healthcare Limited

US Patent


Assay Description
For tau imaging probes other than THK-5105, binding to K18-ΔK280 aggregates was evaluated with a competitive binding test using [18F] THK-5105 a...


US Patent US9452985 (2016)

More data for this
Ligand-Target Pair
Tau


(Homo sapiens (Human))
BDBM50384538
PNG
(CHEMBL2036419 | CHEMBL2036420)
Show SMILES CN(C)c1ccc(cc1)\N=N\c1nc2ccc(OCCOCCOCCF)cc2s1
Show InChI InChI=1S/C21H25FN4O3S/c1-26(2)17-5-3-16(4-6-17)24-25-21-23-19-8-7-18(15-20(19)30-21)29-14-13-28-12-11-27-10-9-22/h3-8,15H,9-14H2,1-2H3/b25-24+
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13n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of Thioflavin S from recombinant human tau expressed in Escherichia coli after 30 mins by fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
Tau


(Homo sapiens (Human))
BDBM50390102
PNG
(CHEMBL2069433)
Show SMILES CN(C)c1ccc(\C=C2/Nc3ccc(I)cc3C2=O)cc1
Show InChI InChI=1S/C17H15IN2O/c1-20(2)13-6-3-11(4-7-13)9-16-17(21)14-10-12(18)5-8-15(14)19-16/h3-10,19H,1-2H3/b16-9-
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17n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Binding affinity to human Tau aggregates after 30 mins by Thioflavin-S-based fluorescence assay


Bioorg Med Chem Lett 22: 5700-3 (2012)

More data for this
Ligand-Target Pair
Tau


(Homo sapiens (Human))
BDBM247407
PNG
(US9452985, THK-5129)
Show SMILES CN(C)c1ccc(cn1)-c1ccc2cc(OCC(O)CF)ccc2n1
Show InChI InChI=1/C19H20FN3O2/c1-23(2)19-8-4-14(11-21-19)18-6-3-13-9-16(5-7-17(13)22-18)25-12-15(24)10-20/h3-9,11,15,24H,10,12H2,1-2H3
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21.4n/an/an/an/an/an/an/an/a



GE Healthcare Limited

US Patent


Assay Description
For tau imaging probes other than THK-5105, binding to K18-ΔK280 aggregates was evaluated with a competitive binding test using [18F] THK-5105 a...


US Patent US9452985 (2016)

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)

More data for this
Ligand-Target Pair
Tau


(Homo sapiens (Human))
BDBM247404
PNG
(US9452985, THK-5122)
Show SMILES CCN(CC)c1ccc(cc1)-c1ccc2cc(OCC(O)CF)ccc2n1
Show InChI InChI=1/C22H25FN2O2/c1-3-25(4-2)18-8-5-16(6-9-18)21-11-7-17-13-20(10-12-22(17)24-21)27-15-19(26)14-23/h5-13,19,26H,3-4,14-15H2,1-2H3
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34.9n/an/an/an/an/an/an/an/a



GE Healthcare Limited

US Patent


Assay Description
For tau imaging probes other than THK-5105, binding to K18-ΔK280 aggregates was evaluated with a competitive binding test using [18F] THK-5105 a...


US Patent US9452985 (2016)

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)

More data for this
Ligand-Target Pair
Tau


(Homo sapiens (Human))
BDBM247402
PNG
(US9452985, THK-5116)
Show SMILES Nc1ccc(cc1)-c1ccc2cc(OCC(O)CF)ccc2n1
Show InChI InChI=1/C18H17FN2O2/c19-10-15(22)11-23-16-6-8-18-13(9-16)3-7-17(21-18)12-1-4-14(20)5-2-12/h1-9,15,22H,10-11,20H2
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36n/an/an/an/an/an/an/an/a



GE Healthcare Limited

US Patent


Assay Description
For tau imaging probes other than THK-5105, binding to K18-ΔK280 aggregates was evaluated with a competitive binding test using [18F] THK-5105 a...


US Patent US9452985 (2016)

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)

More data for this
Ligand-Target Pair
Tau


(Homo sapiens (Human))
BDBM247406
PNG
(US9452985, THK-5151)
Show SMILES CNc1ccc(cn1)-c1ccc2cc(OCC(O)CF)ccc2n1
Show InChI InChI=1/C18H18FN3O2/c1-20-18-7-3-13(10-21-18)17-5-2-12-8-15(4-6-16(12)22-17)24-11-14(23)9-19/h2-8,10,14,23H,9,11H2,1H3,(H,20,21)
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40.1n/an/an/an/an/an/an/an/a



GE Healthcare Limited

US Patent


Assay Description
For tau imaging probes other than THK-5105, binding to K18-ΔK280 aggregates was evaluated with a competitive binding test using [18F] THK-5105 a...


US Patent US9452985 (2016)

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)

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)

More data for this
Ligand-Target Pair
Tau


(Homo sapiens (Human))
BDBM247408
PNG
(US9452985, THK-523 (reference for comparison))
Show SMILES Nc1ccc(cc1)-c1ccc2cc(OCCF)ccc2n1
Show InChI InChI=1S/C17H15FN2O/c18-9-10-21-15-6-8-17-13(11-15)3-7-16(20-17)12-1-4-14(19)5-2-12/h1-8,11H,9-10,19H2
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59.3n/an/an/an/an/an/an/an/a



GE Healthcare Limited

US Patent


Assay Description
For tau imaging probes other than THK-5105, binding to K18-ΔK280 aggregates was evaluated with a competitive binding test using [18F] THK-5105 a...


US Patent US9452985 (2016)

More data for this
Ligand-Target Pair
Tau


(Homo sapiens (Human))
BDBM50430742
PNG
(Blutene | TOLONIUM CHLORIDE | Toluidine Blue O)
Show SMILES Cc1cc2nc3ccc(cc3sc2cc1N)=[N+](C)C
Show InChI InChI=1S/C15H15N3S/c1-9-6-13-15(8-11(9)16)19-14-7-10(18(2)3)4-5-12(14)17-13/h4-8,16H,1-3H3/p+1
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69n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of recombinant tau (unknown origin) aggregation


J Med Chem 56: 3121-47 (2013)

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)

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)

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)

More data for this
Ligand-Target Pair
Tau


(Homo sapiens (Human))
BDBM50390103
PNG
(CHEMBL2069432)
Show SMILES CNc1ccc(C=C2Nc3ccc(I)cc3C2=O)cc1
Show InChI InChI=1S/C16H13IN2O/c1-18-12-5-2-10(3-6-12)8-15-16(20)13-9-11(17)4-7-14(13)19-15/h2-9,18-19H,1H3
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112n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Binding affinity to human Tau aggregates after 30 mins by Thioflavin-S-based fluorescence assay


Bioorg Med Chem Lett 22: 5700-3 (2012)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

More data for this
Ligand-Target Pair
Tau


(Homo sapiens (Human))
BDBM50185987
PNG
(2-(1-(6-((2-fluoroethyl)(methyl)amino)naphthalen-2...)
Show SMILES CN(CCF)c1ccc2cc(ccc2c1)C(C)=C(C#N)C#N
Show InChI InChI=1S/C18H16FN3/c1-13(17(11-20)12-21)14-3-4-16-10-18(22(2)8-7-19)6-5-15(16)9-14/h3-6,9-10H,7-8H2,1-2H3
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US Patent
256n/an/an/an/an/an/an/an/a



GE Healthcare Limited

US Patent


Assay Description
For tau imaging probes other than THK-5105, binding to K18-ΔK280 aggregates was evaluated with a competitive binding test using [18F] THK-5105 a...


US Patent US9452985 (2016)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

More data for this
Ligand-Target Pair
Tau


(Homo sapiens (Human))
BDBM50390104
PNG
(CHEMBL2069431)
Show SMILES CN(C)c1ccc(C=C2C(=O)Nc3ccc(I)cc23)cc1
Show InChI InChI=1S/C17H15IN2O/c1-20(2)13-6-3-11(4-7-13)9-15-14-10-12(18)5-8-16(14)19-17(15)21/h3-10H,1-2H3,(H,19,21)
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599n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Binding affinity to human Tau aggregates after 30 mins by Thioflavin-S-based fluorescence assay


Bioorg Med Chem Lett 22: 5700-3 (2012)

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)

More data for this
Ligand-Target Pair
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