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Compile Data Set for Download or QSAR

Found 163 hits Enz. Inhib. hit(s) with Target = 'Microtubule-associated protein 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))
BDBM50020865
PNG
(CHEMBL3286988)
Show SMILES COc1cc(\C=c2/sc3nc(cn3c2=O)-c2cccc(Cl)c2)cc(OC)c1O
Show InChI InChI=1S/C20H15ClN2O4S/c1-26-15-6-11(7-16(27-2)18(15)24)8-17-19(25)23-10-14(22-20(23)28-17)12-4-3-5-13(21)9-12/h3-10,24H,1-2H3/b17-8-
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n/an/a 1n/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of recombinant human microtubule associated protein tau aggregation by Thiazin-red R displacement fluorescence assay


ACS Med Chem Lett 5: 619-20 (2014)

More data for this
Ligand-Target Pair
Tau


(Homo sapiens (Human))
BDBM50402408
PNG
(CHEMBL2203332)
Show SMILES CCCC[N+]1=C(\C=C\c2ccc(cc2)N(CC)CC)C(C)(C)c2ccccc12
Show InChI InChI=1S/C26H35N2/c1-6-9-20-28-24-13-11-10-12-23(24)26(4,5)25(28)19-16-21-14-17-22(18-15-21)27(7-2)8-3/h10-19H,6-9,20H2,1-5H3/q+1
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n/an/a 1.41n/an/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Displacement of thiazine red R from human Tau aggregate expressed in Escherichia coli after 30 mins by fluorimetric analysis


Bioorg Med Chem Lett 22: 7667-71 (2012)

More data for this
Ligand-Target Pair
Tau


(Homo sapiens (Human))
BDBM50398203
PNG
(CHEMBL2181533)
Show SMILES CN(C)c1ccc(\C=C\C=C\c2cc(\C=C\C=C\c3ccc(cc3)N(C)C)ncn2)cc1
Show InChI InChI=1S/C28H30N4/c1-31(2)27-17-13-23(14-18-27)9-5-7-11-25-21-26(30-22-29-25)12-8-6-10-24-15-19-28(20-16-24)32(3)4/h5-22H,1-4H3/b9-5+,10-6+,11-7+,12-8+
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n/an/a 2n/an/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Displacement of thiazene red from tau aggregate


J Med Chem 55: 9170-80 (2012)

More data for this
Ligand-Target Pair
Tau


(Homo sapiens (Human))
BDBM50398204
PNG
(CHEMBL2181532)
Show SMILES C1CCN(C1)c1ccc(\C=C\c2cc(\C=C\c3ccc(cc3)N3CCCC3)ncn2)cc1
Show InChI InChI=1S/C28H30N4/c1-2-18-31(17-1)27-13-7-23(8-14-27)5-11-25-21-26(30-22-29-25)12-6-24-9-15-28(16-10-24)32-19-3-4-20-32/h5-16,21-22H,1-4,17-20H2/b11-5+,12-6+
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n/an/a 2n/an/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Displacement of thiazene red from tau aggregate


J Med Chem 55: 9170-80 (2012)

More data for this
Ligand-Target Pair
Tau


(Homo sapiens (Human))
BDBM50020859
PNG
(CHEMBL3286982)
Show SMILES COc1cc(\C=c2/sc3nc(cn3c2=O)-c2ccc(Cl)cc2)cc(OC)c1O
Show InChI InChI=1S/C20H15ClN2O4S/c1-26-15-7-11(8-16(27-2)18(15)24)9-17-19(25)23-10-14(22-20(23)28-17)12-3-5-13(21)6-4-12/h3-10,24H,1-2H3/b17-9-
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n/an/a 2n/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of recombinant human microtubule associated protein tau aggregation by Thiazin-red R displacement fluorescence assay


ACS Med Chem Lett 5: 619-20 (2014)

More data for this
Ligand-Target Pair
Tau


(Homo sapiens (Human))
BDBM50020860
PNG
(CHEMBL3286983)
Show SMILES COc1cc(\C=c2/sc3nc(cn3c2=O)-c2ccc(Cl)cc2)cc(Cl)c1O
Show InChI InChI=1S/C19H12Cl2N2O3S/c1-26-15-7-10(6-13(21)17(15)24)8-16-18(25)23-9-14(22-19(23)27-16)11-2-4-12(20)5-3-11/h2-9,24H,1H3/b16-8-
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n/an/a 2n/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of recombinant human microtubule associated protein tau aggregation by Thiazin-red R displacement fluorescence assay


ACS Med Chem Lett 5: 619-20 (2014)

More data for this
Ligand-Target Pair
Tau


(Homo sapiens (Human))
BDBM50020861
PNG
(CHEMBL3286984)
Show SMILES COc1cc(\C=c2/sc3nc(cn3c2=O)-c2ccc(Cl)cc2)cc(Br)c1O
Show InChI InChI=1S/C19H12BrClN2O3S/c1-26-15-7-10(6-13(20)17(15)24)8-16-18(25)23-9-14(22-19(23)27-16)11-2-4-12(21)5-3-11/h2-9,24H,1H3/b16-8-
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n/an/a 2n/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of recombinant human microtubule associated protein tau aggregation by Thiazin-red R displacement fluorescence assay


ACS Med Chem Lett 5: 619-20 (2014)

More data for this
Ligand-Target Pair
Tau


(Homo sapiens (Human))
BDBM50020867
PNG
(CHEMBL3286989)
Show SMILES COc1cc(\C=c2/sc3nc(cn3c2=O)-c2cccc(c2)C(F)(F)F)cc(Cl)c1O
Show InChI InChI=1S/C20H12ClF3N2O3S/c1-29-15-6-10(5-13(21)17(15)27)7-16-18(28)26-9-14(25-19(26)30-16)11-3-2-4-12(8-11)20(22,23)24/h2-9,27H,1H3/b16-7-
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n/an/a 3n/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of recombinant human microtubule associated protein tau aggregation by Thiazin-red R displacement fluorescence assay


ACS Med Chem Lett 5: 619-20 (2014)

More data for this
Ligand-Target Pair
Tau


(Homo sapiens (Human))
BDBM50398207
PNG
(CHEMBL2181045)
Show SMILES CN(C)c1ccc(\C=C\c2cc(\C=C\c3ccc(cc3)N(C)C)ncn2)cc1
Show InChI InChI=1S/C24H26N4/c1-27(2)23-13-7-19(8-14-23)5-11-21-17-22(26-18-25-21)12-6-20-9-15-24(16-10-20)28(3)4/h5-18H,1-4H3/b11-5+,12-6+
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n/an/a 4n/an/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Displacement of thiazene red from tau aggregate


J Med Chem 55: 9170-80 (2012)

More data for this
Ligand-Target Pair
Tau


(Homo sapiens (Human))
BDBM50020862
PNG
(CHEMBL3286985)
Show SMILES COc1cc(\C=c2/sc3nc(cn3c2=O)-c2ccc(Cl)cc2)cc(O)c1O
Show InChI InChI=1S/C19H13ClN2O4S/c1-26-15-7-10(6-14(23)17(15)24)8-16-18(25)22-9-13(21-19(22)27-16)11-2-4-12(20)5-3-11/h2-9,23-24H,1H3/b16-8-
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n/an/a 5n/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of recombinant human microtubule associated protein tau aggregation by Thiazin-red R displacement fluorescence assay


ACS Med Chem Lett 5: 619-20 (2014)

More data for this
Ligand-Target Pair
Tau


(Homo sapiens (Human))
BDBM50020858
PNG
(CHEMBL3286981)
Show SMILES COc1cc(\C=c2/sc3nc(cn3c2=O)-c2ccncc2)cc(OC)c1O
Show InChI InChI=1S/C19H15N3O4S/c1-25-14-7-11(8-15(26-2)17(14)23)9-16-18(24)22-10-13(21-19(22)27-16)12-3-5-20-6-4-12/h3-10,23H,1-2H3/b16-9-
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n/an/a 5n/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of recombinant human microtubule associated protein tau aggregation by Thiazin-red R displacement fluorescence assay


ACS Med Chem Lett 5: 619-20 (2014)

More data for this
Ligand-Target Pair
Tau


(Homo sapiens (Human))
BDBM50402407
PNG
(CHEMBL2207756)
Show SMILES C[N+]1=C(\C=C\c2ccc(cc2)N2CCCC2)C(C)(C)c2ccccc12
Show InChI InChI=1S/C23H27N2/c1-23(2)20-8-4-5-9-21(20)24(3)22(23)15-12-18-10-13-19(14-11-18)25-16-6-7-17-25/h4-5,8-15H,6-7,16-17H2,1-3H3/q+1
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n/an/a 5.10n/an/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Displacement of thiazine red R from human Tau aggregate expressed in Escherichia coli after 30 mins by fluorimetric analysis


Bioorg Med Chem Lett 22: 7667-71 (2012)

More data for this
Ligand-Target Pair
Tau


(Homo sapiens (Human))
BDBM50398209
PNG
(CHEMBL2181041)
Show SMILES C1CN(CCO1)c1ccc(\C=C\c2cnc(\C=C\c3ccc(cc3)N3CCOCC3)cn2)cc1
Show InChI InChI=1S/C28H30N4O2/c1(23-3-9-27(10-4-23)31-13-17-33-18-14-31)7-25-21-30-26(22-29-25)8-2-24-5-11-28(12-6-24)32-15-19-34-20-16-32/h1-12,21-22H,13-20H2/b7-1+,8-2+
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n/an/a 6n/an/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Displacement of thiazene red from tau aggregate


J Med Chem 55: 9170-80 (2012)

More data for this
Ligand-Target Pair
Tau


(Homo sapiens (Human))
BDBM50020864
PNG
(CHEMBL3286987)
Show SMILES COc1cc(\C=c2/sc3nc(cn3c2=O)-c2ccncc2C)cc(OC)c1O
Show InChI InChI=1S/C20H17N3O4S/c1-11-9-21-5-4-13(11)14-10-23-19(25)17(28-20(23)22-14)8-12-6-15(26-2)18(24)16(7-12)27-3/h4-10,24H,1-3H3/b17-8-
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n/an/a 8n/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of recombinant human microtubule associated protein tau aggregation by Thiazin-red R displacement fluorescence assay


ACS Med Chem Lett 5: 619-20 (2014)

More data for this
Ligand-Target Pair
Tau


(Homo sapiens (Human))
BDBM50398210
PNG
(CHEMBL2181039)
Show SMILES COc1ccc(\C=C\c2cnc(\C=C\c3ccc(OC)cc3)cn2)cc1
Show InChI InChI=1S/C22H20N2O2/c1-25-21-11-5-17(6-12-21)3-9-19-15-24-20(16-23-19)10-4-18-7-13-22(26-2)14-8-18/h3-16H,1-2H3/b9-3+,10-4+
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n/an/a 13n/an/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Displacement of thiazene red from tau aggregate


J Med Chem 55: 9170-80 (2012)

More data for this
Ligand-Target Pair
Tau


(Homo sapiens (Human))
BDBM50020869
PNG
(CHEMBL3286990)
Show SMILES COc1cc(\C=c2/sc3nc(cn3c2=O)-c2cccc(OC(F)(F)F)c2)cc(F)c1O
Show InChI InChI=1S/C20H12F4N2O4S/c1-29-15-6-10(5-13(21)17(15)27)7-16-18(28)26-9-14(25-19(26)31-16)11-3-2-4-12(8-11)30-20(22,23)24/h2-9,27H,1H3/b16-7-
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n/an/a 13n/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of recombinant human microtubule associated protein tau aggregation by Thiazin-red R displacement fluorescence assay


ACS Med Chem Lett 5: 619-20 (2014)

More data for this
Ligand-Target Pair
Tau


(Homo sapiens (Human))
BDBM50398205
PNG
(CHEMBL2181531)
Show SMILES C1CCN(CC1)c1ccc(\C=C\c2cc(\C=C\c3ccc(cc3)N3CCCCC3)ncn2)cc1
Show InChI InChI=1S/C30H34N4/c1-3-19-33(20-4-1)29-15-9-25(10-16-29)7-13-27-23-28(32-24-31-27)14-8-26-11-17-30(18-12-26)34-21-5-2-6-22-34/h7-18,23-24H,1-6,19-22H2/b13-7+,14-8+
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n/an/a 17n/an/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Displacement of thiazene red from tau aggregate


J Med Chem 55: 9170-80 (2012)

More data for this
Ligand-Target Pair
Tau


(Homo sapiens (Human))
BDBM50398208
PNG
(CHEMBL2181042)
Show SMILES CN1CCN(CC1)c1ccc(\C=C\c2cnc(\C=C\c3ccc(cc3)N3CCN(C)CC3)cn2)cc1
Show InChI InChI=1S/C30H36N6/c1-33-15-19-35(20-16-33)29-11-5-25(6-12-29)3-9-27-23-32-28(24-31-27)10-4-26-7-13-30(14-8-26)36-21-17-34(2)18-22-36/h3-14,23-24H,15-22H2,1-2H3/b9-3+,10-4+
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n/an/a 42n/an/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Displacement of thiazene red from tau aggregate


J Med Chem 55: 9170-80 (2012)

More data for this
Ligand-Target Pair
Tau


(Homo sapiens (Human))
BDBM50434371
PNG
(AZURE A | Azure A (12))
Show SMILES C[N+](C)=c1ccc2nc3ccc(N)cc3sc2c1
Show InChI InChI=1S/C14H13N3S/c1-17(2)10-4-6-12-14(8-10)18-13-7-9(15)3-5-11(13)16-12/h3-8,15H,1-2H3/p+1
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n/an/a 69n/an/an/an/an/an/a



Humboldt-Universit£t zu Berlin

Curated by ChEMBL


Assay Description
Inhibition of tau protein aggregation (unknown origin) at 5:1 compound to protein concentration by Western blot analysis


J Med Chem 56: 4135-55 (2013)

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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n/an/a 69n/an/an/an/an/an/a



Humboldt-Universit£t zu Berlin

Curated by ChEMBL


Assay Description
Inhibition of tau protein aggregation (unknown origin) at 5:1 compound to protein concentration by Western blot analysis


J Med Chem 56: 4135-55 (2013)

More data for this
Ligand-Target Pair
Tau


(Homo sapiens (Human))
BDBM50434370
PNG
(CHEMBL593252 | GNF-Pf-3564 | Thionin (14))
Show SMILES Nc1ccc2nc3ccc(=[NH2+])cc3sc2c1
Show InChI InChI=1S/C12H9N3S/c13-7-1-3-9-11(5-7)16-12-6-8(14)2-4-10(12)15-9/h1-6,13H,14H2/p+1
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n/an/a 69n/an/an/an/an/an/a



Humboldt-Universit£t zu Berlin

Curated by ChEMBL


Assay Description
Inhibition of tau protein aggregation (unknown origin) at 5:1 compound to protein concentration by Western blot analysis


J Med Chem 56: 4135-55 (2013)

More data for this
Ligand-Target Pair
Tau


(Homo sapiens (Human))
BDBM50020863
PNG
(CHEMBL3286986)
Show SMILES COc1cc(\C=c2/sc3nc(cn3c2=O)-c2ccncc2C)ccc1O
Show InChI InChI=1S/C19H15N3O3S/c1-11-9-20-6-5-13(11)14-10-22-18(24)17(26-19(22)21-14)8-12-3-4-15(23)16(7-12)25-2/h3-10,23H,1-2H3/b17-8-
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n/an/a 79n/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of recombinant human microtubule associated protein tau aggregation by Thiazin-red R displacement fluorescence assay


ACS Med Chem Lett 5: 619-20 (2014)

More data for this
Ligand-Target Pair
Tau


(Homo sapiens (Human))
BDBM50434366
PNG
(CHEMBL1789430)
Show SMILES C1CCN2\C(Sc3ccccc23)=C\C=C\c2sc3ccccc3[n+]2CCCCCN2\C(Sc3ccccc23)=C\C=C\c2sc3ccccc3[n+]2CC1
Show InChI InChI=1S/C44H42N4S4/c1-11-29-45-33-17-3-7-21-37(33)49-41(45)25-15-27-43-47(35-19-5-9-23-39(35)51-43)31-13-2-14-32-48-36-20-6-10-24-40(36)52-44(48)28-16-26-42-46(30-12-1)34-18-4-8-22-38(34)50-42/h3-10,15-28H,1-2,11-14,29-32H2/q+2
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n/an/a 80n/an/an/an/an/an/a



Humboldt-Universit£t zu Berlin

Curated by ChEMBL


Assay Description
Inhibition of tau protein aggregation (unknown origin)


J Med Chem 56: 4135-55 (2013)

More data for this
Ligand-Target Pair
Tau


(Homo sapiens (Human))
BDBM50398211
PNG
(CHEMBL2181036)
Show SMILES COc1cc(\C=C\c2ccc(O)cc2)ccc1\C=C\c1ccc(O)cc1
Show InChI InChI=1S/C23H20O3/c1-26-23-16-19(3-2-17-6-12-21(24)13-7-17)5-11-20(23)10-4-18-8-14-22(25)15-9-18/h2-16,24-25H,1H3/b3-2+,10-4+
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n/an/a 246n/an/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Displacement of thiazine red R from human Tau aggregate expressed in Escherichia coli after 30 mins by fluorimetric analysis


Bioorg Med Chem Lett 22: 7667-71 (2012)

More data for this
Ligand-Target Pair
Tau


(Homo sapiens (Human))
BDBM50398211
PNG
(CHEMBL2181036)
Show SMILES COc1cc(\C=C\c2ccc(O)cc2)ccc1\C=C\c1ccc(O)cc1
Show InChI InChI=1S/C23H20O3/c1-26-23-16-19(3-2-17-6-12-21(24)13-7-17)5-11-20(23)10-4-18-8-14-22(25)15-9-18/h2-16,24-25H,1H3/b3-2+,10-4+
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n/an/a 246n/an/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Displacement of thiazene red from tau aggregate


J Med Chem 55: 9170-80 (2012)

More data for this
Ligand-Target Pair
Microtubule-associated protein tau


(Rattus norvegicus)
BDBM50313696
PNG
(CHEMBL1086427 | N-(6-chloro-7-fluoro-5-phenyl-1H-i...)
Show SMILES CCCC(=O)Nc1n[nH]c2c(F)c(Cl)c(cc12)-c1ccccc1
Show InChI InChI=1S/C17H15ClFN3O/c1-2-6-13(23)20-17-12-9-11(10-7-4-3-5-8-10)14(18)15(19)16(12)21-22-17/h3-5,7-9H,2,6H2,1H3,(H2,20,21,22,23)
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n/an/a 250n/an/an/an/an/an/a



Sanofi-aventis

Curated by ChEMBL


Assay Description
Inhibition of Tau phosphorylation in rat cerebral cortex after 120 mins by chemiluminescence assay


Bioorg Med Chem Lett 20: 1985-9 (2010)

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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n/an/a 256n/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))
BDBM50055954
PNG
(CHEMBL3330751)
Show SMILES COc1ccc(cc1)-c1cc2n(c3cc(sc3c2s1)-c1ccc(C=O)s1)C(C)(C)C
Show InChI InChI=1S/C24H21NO2S3/c1-24(2,3)25-17-11-20(14-5-7-15(27-4)8-6-14)29-22(17)23-18(25)12-21(30-23)19-10-9-16(13-26)28-19/h5-13H,1-4H3
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n/an/a<290n/an/an/an/an/an/a



Tokyo Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human brain tau 3R MBD aggregation after 16 hrs by thioflavin T fluorescence method


Eur J Med Chem 85: 228-34 (2014)

More data for this
Ligand-Target Pair
Tau


(Homo sapiens (Human))
BDBM50055956
PNG
(CHEMBL3330753)
Show SMILES COc1ccc(cc1)-c1cc2n(c3cc(sc3c2s1)-c1ccc(\C=C(/C#N)C(N)=O)s1)C(C)(C)C
Show InChI InChI=1S/C27H23N3O2S3/c1-27(2,3)30-19-12-22(15-5-7-17(32-4)8-6-15)34-24(19)25-20(30)13-23(35-25)21-10-9-18(33-21)11-16(14-28)26(29)31/h5-13H,1-4H3,(H2,29,31)/b16-11+
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n/an/a 300n/an/an/an/an/an/a



Tokyo Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human brain tau 3R MBD aggregation after 16 hrs by thioflavin T fluorescence method


Eur J Med Chem 85: 228-34 (2014)

More data for this
Ligand-Target Pair
Tau


(Homo sapiens (Human))
BDBM32299
PNG
(2-[(2Z)-2-[(2E)-2-[[3-(2-hydroxyethyl)-5-methoxy-1...)
Show SMILES CC\C(=C/c1sc2ccc(OC)cc2[n+]1CCO)\C=C1/Sc2ccc(OC)cc2N1CCO
Show InChI InChI=1S/C25H29N2O4S2/c1-4-17(13-24-26(9-11-28)20-15-18(30-2)5-7-22(20)32-24)14-25-27(10-12-29)21-16-19(31-3)6-8-23(21)33-25/h5-8,13-16,28-29H,4,9-12H2,1-3H3/q+1
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n/an/a 380n/an/an/an/an/an/a



Humboldt-Universit£t zu Berlin

Curated by ChEMBL


Assay Description
Inhibition of tau protein aggregation (unknown origin)


J Med Chem 56: 4135-55 (2013)

More data for this
Ligand-Target Pair
Microtubule-associated protein tau


(Rattus norvegicus)
BDBM50313661
PNG
(CHEMBL1095040 | N-(6-chloro-5-phenyl-1H-indazol-3-...)
Show SMILES CCCC(=O)Nc1n[nH]c2cc(Cl)c(cc12)-c1ccccc1
Show InChI InChI=1S/C17H16ClN3O/c1-2-6-16(22)19-17-13-9-12(11-7-4-3-5-8-11)14(18)10-15(13)20-21-17/h3-5,7-10H,2,6H2,1H3,(H2,19,20,21,22)
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n/an/a 400n/an/an/an/an/an/a



Sanofi-aventis

Curated by ChEMBL


Assay Description
Inhibition of Tau phosphorylation in rat cerebral cortex after 120 mins by chemiluminescence assay


Bioorg Med Chem Lett 20: 1985-9 (2010)

More data for this
Ligand-Target Pair
Tau


(Homo sapiens (Human))
BDBM223577
PNG
(US9321752, 19-4)
Show SMILES Cn1cccc1\C=C\c1cc(\C=C\c2ccc(OCc3ccccn3)cc2F)n[nH]1
Show InChI InChI=1S/C24H21FN4O/c1-29-14-4-6-22(29)11-10-20-15-19(27-28-20)9-7-18-8-12-23(16-24(18)25)30-17-21-5-2-3-13-26-21/h2-16H,17H2,1H3,(H,27,28)/b9-7+,11-10+
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n/an/a 510n/an/an/an/an/an/a



GREEN TECH CO., LTD.

US Patent


Assay Description
Recombinant three-repeat microtubule-binding domain (3R-MBD) of tau protein was expressed in E. coli and was purified and used for the experiment. Th...


US Patent US9321752 (2016)

More data for this
Ligand-Target Pair
Tau


(Homo sapiens (Human))
BDBM223578
PNG
(US9321752, 20-3)
Show SMILES Cn1cccc1\C=C\c1cc(\C=C\c2ccc(OCc3ccccn3)cc2)n[nH]1
Show InChI InChI=1S/C24H22N4O/c1-28-16-4-6-23(28)12-11-21-17-20(26-27-21)10-7-19-8-13-24(14-9-19)29-18-22-5-2-3-15-25-22/h2-17H,18H2,1H3,(H,26,27)/b10-7+,12-11+
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n/an/a 550n/an/an/an/an/an/a



GREEN TECH CO., LTD.

US Patent


Assay Description
Recombinant three-repeat microtubule-binding domain (3R-MBD) of tau protein was expressed in E. coli and was purified and used for the experiment. Th...


US Patent US9321752 (2016)

More data for this
Ligand-Target Pair
Tau


(Homo sapiens (Human))
BDBM223580
PNG
(US9321752, 23-2)
Show SMILES COc1cc(OCc2ccccn2)ccc1\C=C\c1cc(\C=C\c2ccc(C)n2C)[nH]n1
Show InChI InChI=1S/C26H26N4O2/c1-19-7-12-24(30(19)2)13-11-22-16-21(28-29-22)10-8-20-9-14-25(17-26(20)31-3)32-18-23-6-4-5-15-27-23/h4-17H,18H2,1-3H3,(H,28,29)/b10-8+,13-11+
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n/an/a 590n/an/an/an/an/an/a



GREEN TECH CO., LTD.

US Patent


Assay Description
Recombinant three-repeat microtubule-binding domain (3R-MBD) of tau protein was expressed in E. coli and was purified and used for the experiment. Th...


US Patent US9321752 (2016)

More data for this
Ligand-Target Pair
Tau


(Homo sapiens (Human))
BDBM223575
PNG
(US9321752, 16-2)
Show SMILES Cn1ccc2ccc(\C=C\c3cc(\C=C\c4ccc(OCc5ccccn5)cc4F)n[nH]3)cc12
Show InChI InChI=1S/C28H23FN4O/c1-33-15-13-22-7-5-20(16-28(22)33)6-10-23-17-24(32-31-23)11-8-21-9-12-26(18-27(21)29)34-19-25-4-2-3-14-30-25/h2-18H,19H2,1H3,(H,31,32)/b10-6+,11-8+
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n/an/a 600n/an/an/an/an/an/a



GREEN TECH CO., LTD.

US Patent


Assay Description
Recombinant three-repeat microtubule-binding domain (3R-MBD) of tau protein was expressed in E. coli and was purified and used for the experiment. Th...


US Patent US9321752 (2016)

More data for this
Ligand-Target Pair
Tau


(Homo sapiens (Human))
BDBM223582
PNG
(US9321752, 32-5)
Show SMILES Cc1cc(OCc2ccccn2)ccc1\C=C\c1cc(\C=C\c2cccn2C)[nH]n1
Show InChI InChI=1S/C25H24N4O/c1-19-16-25(30-18-23-6-3-4-14-26-23)13-9-20(19)8-10-21-17-22(28-27-21)11-12-24-7-5-15-29(24)2/h3-17H,18H2,1-2H3,(H,27,28)/b10-8+,12-11+
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n/an/a 640n/an/an/an/an/an/a



GREEN TECH CO., LTD.

US Patent


Assay Description
Recombinant three-repeat microtubule-binding domain (3R-MBD) of tau protein was expressed in E. coli and was purified and used for the experiment. Th...


US Patent US9321752 (2016)

More data for this
Ligand-Target Pair
Tau


(Homo sapiens (Human))
BDBM223576
PNG
(US9321752, 17-2)
Show SMILES Cn1ccc2ccc(\C=C\c3cc(\C=C\c4ccc(OCc5ccccn5)cc4)n[nH]3)cc12
Show InChI InChI=1S/C28H24N4O/c1-32-17-15-23-10-5-22(18-28(23)32)7-12-25-19-24(30-31-25)11-6-21-8-13-27(14-9-21)33-20-26-4-2-3-16-29-26/h2-19H,20H2,1H3,(H,30,31)/b11-6+,12-7+
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n/an/a 650n/an/an/an/an/an/a



GREEN TECH CO., LTD.

US Patent


Assay Description
Recombinant three-repeat microtubule-binding domain (3R-MBD) of tau protein was expressed in E. coli and was purified and used for the experiment. Th...


US Patent US9321752 (2016)

More data for this
Ligand-Target Pair
Tau


(Homo sapiens (Human))
BDBM223579
PNG
(US9321752, 22-2)
Show SMILES COc1cc(OCc2ccccn2)ccc1\C=C\c1cc(\C=C\c2cccn2C)[nH]n1
Show InChI InChI=1S/C25H24N4O2/c1-29-15-5-7-23(29)12-11-21-16-20(27-28-21)10-8-19-9-13-24(17-25(19)30-2)31-18-22-6-3-4-14-26-22/h3-17H,18H2,1-2H3,(H,27,28)/b10-8+,12-11+
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n/an/a 660n/an/an/an/an/an/a



GREEN TECH CO., LTD.

US Patent


Assay Description
Recombinant three-repeat microtubule-binding domain (3R-MBD) of tau protein was expressed in E. coli and was purified and used for the experiment. Th...


US Patent US9321752 (2016)

More data for this
Ligand-Target Pair
Tau


(Homo sapiens (Human))
BDBM223583
PNG
(US9321752, 42-2)
Show SMILES COc1cc(OCc2ccccn2)ccc1\C=C\c1cc(\C=C\c2ccnn2C)[nH]n1
Show InChI InChI=1S/C24H23N5O2/c1-29-22(12-14-26-29)10-9-20-15-19(27-28-20)8-6-18-7-11-23(16-24(18)30-2)31-17-21-5-3-4-13-25-21/h3-16H,17H2,1-2H3,(H,27,28)/b8-6+,10-9+
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n/an/a 830n/an/an/an/an/an/a



GREEN TECH CO., LTD.

US Patent


Assay Description
Recombinant three-repeat microtubule-binding domain (3R-MBD) of tau protein was expressed in E. coli and was purified and used for the experiment. Th...


US Patent US9321752 (2016)

More data for this
Ligand-Target Pair
Tau


(Homo sapiens (Human))
BDBM223581
PNG
(US9321752, 25-2)
Show SMILES COc1cc(OCc2ccccn2)ccc1\C=C\c1cc(\C=C\c2cccc(C)n2)[nH]n1
Show InChI InChI=1S/C26H24N4O2/c1-19-6-5-8-21(28-19)12-13-23-16-22(29-30-23)11-9-20-10-14-25(17-26(20)31-2)32-18-24-7-3-4-15-27-24/h3-17H,18H2,1-2H3,(H,29,30)/b11-9+,13-12+
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n/an/a 840n/an/an/an/an/an/a



GREEN TECH CO., LTD.

US Patent


Assay Description
Recombinant three-repeat microtubule-binding domain (3R-MBD) of tau protein was expressed in E. coli and was purified and used for the experiment. Th...


US Patent US9321752 (2016)

More data for this
Ligand-Target Pair
Tau


(Homo sapiens (Human))
BDBM223584
PNG
(US9321752, 53-2)
Show SMILES C(CN1CCOCC1)Oc1cccc(\C=C\c2cc(\C=C\c3ccc4cc[nH]c4c3)[nH]n2)c1
Show InChI InChI=1S/C27H28N4O2/c1-2-21(18-26(3-1)33-17-14-31-12-15-32-16-13-31)5-8-24-20-25(30-29-24)9-6-22-4-7-23-10-11-28-27(23)19-22/h1-11,18-20,28H,12-17H2,(H,29,30)/b8-5+,9-6+
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n/an/a 840n/an/an/an/an/an/a



GREEN TECH CO., LTD.

US Patent


Assay Description
Recombinant three-repeat microtubule-binding domain (3R-MBD) of tau protein was expressed in E. coli and was purified and used for the experiment. Th...


US Patent US9321752 (2016)

More data for this
Ligand-Target Pair
Tau


(Homo sapiens (Human))
BDBM50434368
PNG
(CHEMBL2386876)
Show SMILES Cc1ccc(cc1)C(=O)N\N=C\c1ccc(O)c(O)c1O
Show InChI InChI=1S/C15H14N2O4/c1-9-2-4-10(5-3-9)15(21)17-16-8-11-6-7-12(18)14(20)13(11)19/h2-8,18-20H,1H3,(H,17,21)/b16-8+
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n/an/a 970n/an/an/an/an/an/a



Humboldt-Universit£t zu Berlin

Curated by ChEMBL


Assay Description
Inhibition of tau protein aggregation (unknown origin)


J Med Chem 56: 4135-55 (2013)

More data for this
Ligand-Target Pair
Tau


(Homo sapiens (Human))
BDBM15236
PNG
(3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H
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n/an/a 1.20E+3n/an/an/an/an/an/a



Humboldt-Universit£t zu Berlin

Curated by ChEMBL


Assay Description
Inhibition of human recombinant brain tau protein (412 amino acid residues) filament assembly expressed in Escherichia coli BL21(DE3) by electron mic...


J Med Chem 56: 4135-55 (2013)

More data for this
Ligand-Target Pair
Tau


(Homo sapiens (Human))
BDBM50398200
PNG
(CHEMBL2181538)
Show SMILES CN(C)c1ccc(\C=C\c2cc(c(\C=C\c3ccc(cc3)N(C)C)nn2)-c2ccccc2F)cc1
Show InChI InChI=1S/C30H29FN4/c1-34(2)25-16-10-22(11-17-25)9-15-24-21-28(27-7-5-6-8-29(27)31)30(33-32-24)20-14-23-12-18-26(19-13-23)35(3)4/h5-21H,1-4H3/b15-9+,20-14+
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n/an/a 1.25E+3n/an/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Displacement of thiazene red from tau aggregate


J Med Chem 55: 9170-80 (2012)

More data for this
Ligand-Target Pair
Tau


(Homo sapiens (Human))
BDBM50398201
PNG
(CHEMBL2181537)
Show SMILES COc1ccc(cc1)-c1cc(\C=C\c2ccc(cc2)N(C)C)nnc1\C=C\c1ccc(cc1)N(C)C
Show InChI InChI=1S/C31H32N4O/c1-34(2)27-15-7-23(8-16-27)6-14-26-22-30(25-12-19-29(36-5)20-13-25)31(33-32-26)21-11-24-9-17-28(18-10-24)35(3)4/h6-22H,1-5H3/b14-6+,21-11+
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n/an/a 1.59E+3n/an/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Displacement of thiazene red from tau aggregate


J Med Chem 55: 9170-80 (2012)

More data for this
Ligand-Target Pair
Tau


(Homo sapiens (Human))
BDBM50055957
PNG
(CHEMBL3330754)
Show SMILES O=Cc1ccc(s1)-c1ccc(s1)-c1ccc2[nH]ccc2c1
Show InChI InChI=1S/C17H11NOS2/c19-10-13-2-4-16(20-13)17-6-5-15(21-17)12-1-3-14-11(9-12)7-8-18-14/h1-10,18H
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n/an/a 1.60E+3n/an/an/an/an/an/a



Tokyo Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human brain tau 3R MBD aggregation after 16 hrs by thioflavin T fluorescence method


Eur J Med Chem 85: 228-34 (2014)

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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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n/an/a 1.64E+3n/an/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Displacement of thiazine red R from human Tau aggregate expressed in Escherichia coli after 30 mins by fluorimetric analysis


Bioorg Med Chem Lett 22: 7667-71 (2012)

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Ligand-Target Pair
Tau


(Homo sapiens (Human))
BDBM50055941
PNG
(CHEMBL3330737)
Show SMILES OC(=O)C(=C\c1ccc(s1)-c1ccc(s1)-c1ccc(cc1)N(c1ccccc1)c1ccccc1)\C#N
Show InChI InChI=1S/C30H20N2O2S2/c31-20-22(30(33)34)19-26-15-16-28(35-26)29-18-17-27(36-29)21-11-13-25(14-12-21)32(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-19H,(H,33,34)/b22-19+
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n/an/a 1.70E+3n/an/an/an/an/an/a



Tokyo Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human brain tau 3R MBD aggregation after 16 hrs by thioflavin T fluorescence method


Eur J Med Chem 85: 228-34 (2014)

More data for this
Ligand-Target Pair
Tau


(Homo sapiens (Human))
BDBM50070942
PNG
((-)-Epigallocatechin gallate | (-)-Epigallocatechi...)
Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1
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n/an/a 1.80E+3n/an/an/an/an/an/a



Humboldt-Universit£t zu Berlin

Curated by ChEMBL


Assay Description
Inhibition of human recombinant brain tau protein (412 amino acid residues) filament assembly expressed in Escherichia coli BL21(DE3) by electron mic...


J Med Chem 56: 4135-55 (2013)

More data for this
Ligand-Target Pair
Tau


(Homo sapiens (Human))
BDBM50434369
PNG
(METHYLENE BLUE CHLORIDE HYDRATE | Methylene Blue |...)
Show SMILES CN(C)c1ccc2nc3ccc(cc3sc2c1)=[N+](C)C
Show InChI InChI=1S/C16H18N3S/c1-18(2)11-5-7-13-15(9-11)20-16-10-12(19(3)4)6-8-14(16)17-13/h5-10H,1-4H3/q+1
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n/an/a 1.90E+3n/an/an/an/an/an/a



Humboldt-Universit£t zu Berlin

Curated by ChEMBL


Assay Description
Inhibition of human recombinant brain tau protein (412 amino acid residues) filament assembly expressed in Escherichia coli BL21(DE3) by electron mic...


J Med Chem 56: 4135-55 (2013)

More data for this
Ligand-Target Pair
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