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Compile Data Set for Download or QSAR

Found 219 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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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)


Citation and Details
More data for this
Ligand-Target Pair
Microtubule-associated protein Tau isoform 2N4R (Tau 2N4R)


(Homo sapiens (Human))
BDBM214726
PNG
(Cyanines, 9)
Show SMILES C1CC[n+]2c(\C=C\C=C3/Sc4ccccc4N3CCCC[n+]3c(\C=C\C=C4/Sc5ccccc5N4C1)sc1ccccc31)sc1ccccc21
Show InChI InChI=1S/C42H38N4S4/c1-5-19-35-31(15-1)43-27-9-10-28-44-32-16-2-6-20-36(32)49-41(44)25-14-26-42-46(34-18-4-8-22-38(34)50-42)30-12-11-29-45-33-17-3-7-21-37(33)48-40(45)24-13-23-39(43)47-35/h1-8,13-26H,9-12,27-30H2/q+2
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The Ohio State University



Assay Description
The Tau content of fractions was determined by dot blot analysis using nitrocellulose membranes (0.2 μm porosity) as described previously [Cisek...


J Biol Chem 288: 32599-611 (2013)

More data for this
Ligand-Target Pair
Microtubule-associated protein Tau isoform 2N4R (Tau 2N4R)


(Homo sapiens (Human))
BDBM214733
PNG
(Rhodanines, 21A)
Show SMILES [O-]C(=O)CCN1C(=S)S\C(=C/c2ccc(o2)-c2ccc(cc2)-c2ccc(o2)C([O-])=O)C1=O
Show InChI InChI=1S/C22H15NO7S2/c24-19(25)9-10-23-20(26)18(32-22(23)31)11-14-5-6-15(29-14)12-1-3-13(4-2-12)16-7-8-17(30-16)21(27)28/h1-8,11H,9-10H2,(H,24,25)(H,27,28)/p-2/b18-11-
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The Ohio State University



Assay Description
The Tau content of fractions was determined by dot blot analysis using nitrocellulose membranes (0.2 μm porosity) as described previously [Cisek...


J Biol Chem 288: 32599-611 (2013)

More data for this
Ligand-Target Pair
Microtubule-associated protein Tau isoform 2N4R (Tau 2N4R)


(Homo sapiens (Human))
BDBM214732
PNG
(Rhodanines, 20A)
Show SMILES [O-]C(=O)CCN1C(=S)S\C(=C/c2ccc(o2)-c2ccc(cc2)-c2ccccc2)C1=O
Show InChI InChI=1S/C23H17NO4S2/c25-21(26)12-13-24-22(27)20(30-23(24)29)14-18-10-11-19(28-18)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-11,14H,12-13H2,(H,25,26)/p-1/b20-14-
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The Ohio State University



Assay Description
The Tau content of fractions was determined by dot blot analysis using nitrocellulose membranes (0.2 μm porosity) as described previously [Cisek...


J Biol Chem 288: 32599-611 (2013)

More data for this
Ligand-Target Pair
Microtubule-associated protein Tau isoform 2N4R (Tau 2N4R)


(Homo sapiens (Human))
BDBM214734
PNG
(Rhodanines, 22A)
Show SMILES [O-]C(=O)CCCCN1C(=S)S\C(=C/c2ccc(o2)-c2ccc(cc2)-n2cccc2)C1=O
Show InChI InChI=1S/C23H20N2O4S2/c26-21(27)5-1-2-14-25-22(28)20(31-23(25)30)15-18-10-11-19(29-18)16-6-8-17(9-7-16)24-12-3-4-13-24/h3-4,6-13,15H,1-2,5,14H2,(H,26,27)/p-1/b20-15-
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The Ohio State University



Assay Description
The Tau content of fractions was determined by dot blot analysis using nitrocellulose membranes (0.2 μm porosity) as described previously [Cisek...


J Biol Chem 288: 32599-611 (2013)

More data for this
Ligand-Target Pair
Microtubule-associated protein Tau isoform 2N4R (Tau 2N4R)


(Homo sapiens (Human))
BDBM214735
PNG
(Rhodanines, 23A)
Show SMILES [O-]C(=O)CCCN1C(=S)S\C(=C/c2ccc(o2)-c2ccc(cc2)-n2cccc2)C1=O
Show InChI InChI=1S/C22H18N2O4S2/c25-20(26)4-3-13-24-21(27)19(30-22(24)29)14-17-9-10-18(28-17)15-5-7-16(8-6-15)23-11-1-2-12-23/h1-2,5-12,14H,3-4,13H2,(H,25,26)/p-1/b19-14-
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The Ohio State University



Assay Description
The Tau content of fractions was determined by dot blot analysis using nitrocellulose membranes (0.2 μm porosity) as described previously [Cisek...


J Biol Chem 288: 32599-611 (2013)

More data for this
Ligand-Target Pair
Microtubule-associated protein Tau isoform 2N4R (Tau 2N4R)


(Homo sapiens (Human))
BDBM214737
PNG
(Rhodanines, 25A)
Show SMILES [O-]C(=O)CCCCN1C(=S)S\C(=C/c2ccc(o2)-c2ccc(cc2)-c2ccccc2)C1=O
Show InChI InChI=1S/C25H21NO4S2/c27-23(28)8-4-5-15-26-24(29)22(32-25(26)31)16-20-13-14-21(30-20)19-11-9-18(10-12-19)17-6-2-1-3-7-17/h1-3,6-7,9-14,16H,4-5,8,15H2,(H,27,28)/p-1/b22-16-
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The Ohio State University



Assay Description
The Tau content of fractions was determined by dot blot analysis using nitrocellulose membranes (0.2 μm porosity) as described previously [Cisek...


J Biol Chem 288: 32599-611 (2013)

More data for this
Ligand-Target Pair
Microtubule-associated protein Tau isoform 2N4R (Tau 2N4R)


(Homo sapiens (Human))
BDBM214736
PNG
(Rhodanines, 24A)
Show SMILES [O-]C(=O)CCN1C(=S)S\C(=C/c2ccc(o2)-c2ccc(cc2)-n2cccc2)C1=O
Show InChI InChI=1S/C21H16N2O4S2/c24-19(25)9-12-23-20(26)18(29-21(23)28)13-16-7-8-17(27-16)14-3-5-15(6-4-14)22-10-1-2-11-22/h1-8,10-11,13H,9,12H2,(H,24,25)/p-1/b18-13-
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The Ohio State University



Assay Description
The Tau content of fractions was determined by dot blot analysis using nitrocellulose membranes (0.2 μm porosity) as described previously [Cisek...


J Biol Chem 288: 32599-611 (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


Citation and Details
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


Citation and Details
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


Citation and Details
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
Microtubule-associated protein Tau isoform 2N4R (Tau 2N4R)


(Homo sapiens (Human))
BDBM214738
PNG
(Rhodanines, 26A)
Show SMILES [O-]C(=O)CCCCN1C(=S)S\C(=C/c2ccc(o2)-c2ccc(cc2)-c2ccc(o2)C([O-])=O)C1=O
Show InChI InChI=1S/C24H19NO7S2/c26-21(27)3-1-2-12-25-22(28)20(34-24(25)33)13-16-8-9-17(31-16)14-4-6-15(7-5-14)18-10-11-19(32-18)23(29)30/h4-11,13H,1-3,12H2,(H,26,27)(H,29,30)/p-2/b20-13-
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The Ohio State University



Assay Description
The Tau content of fractions was determined by dot blot analysis using nitrocellulose membranes (0.2 μm porosity) as described previously [Cisek...


J Biol Chem 288: 32599-611 (2013)

More data for this
Ligand-Target Pair
Microtubule-associated protein Tau isoform 2N4R (Tau 2N4R)


(Homo sapiens (Human))
BDBM32329
PNG
((2Z)-3-ethyl-2-[(E)-3-(3-ethyl-1,3-benzothiazol-3-...)
Show SMILES CCN1\C(Sc2ccccc12)=C\C(\C)=C\c1sc2ccccc2[n+]1CC
Show InChI InChI=1S/C22H23N2S2/c1-4-23-17-10-6-8-12-19(17)25-21(23)14-16(3)15-22-24(5-2)18-11-7-9-13-20(18)26-22/h6-15H,4-5H2,1-3H3/q+1
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The Ohio State University



Assay Description
The Tau content of fractions was determined by dot blot analysis using nitrocellulose membranes (0.2 μm porosity) as described previously [Cisek...


J Biol Chem 288: 32599-611 (2013)

More data for this
Ligand-Target Pair
Microtubule-associated protein Tau isoform 2N4R (Tau 2N4R)


(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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The Ohio State University



Assay Description
The Tau content of fractions was determined by dot blot analysis using nitrocellulose membranes (0.2 μm porosity) as described previously [Cisek...


J Biol Chem 288: 32599-611 (2013)

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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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


Citation and Details
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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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


Citation and Details
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)


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
Microtubule-associated protein Tau isoform 2N4R (Tau 2N4R)


(Homo sapiens (Human))
BDBM214739
PNG
(Rhodanines, 27A)
Show SMILES [O-]C(=O)CC(N1C(=S)S\C(=C/c2ccc(o2)-c2cccc(Cl)c2)C1=O)C([O-])=O
Show InChI InChI=1/C18H12ClNO6S2/c19-10-3-1-2-9(6-10)13-5-4-11(26-13)7-14-16(23)20(18(27)28-14)12(17(24)25)8-15(21)22/h1-7,12H,8H2,(H,21,22)(H,24,25)/p-2/b14-7-
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The Ohio State University



Assay Description
The Tau content of fractions was determined by dot blot analysis using nitrocellulose membranes (0.2 μm porosity) as described previously [Cisek...


J Biol Chem 288: 32599-611 (2013)

More data for this
Ligand-Target Pair
Microtubule-associated protein Tau isoform 2N4R (Tau 2N4R)


(Homo sapiens (Human))
BDBM214740
PNG
(Rhodanines, 28A)
Show SMILES [O-]C(=O)CCN1C(=S)S\C(=C/c2ccc(o2)-c2cccc(Cl)c2)C1=O
Show InChI InChI=1S/C17H12ClNO4S2/c18-11-3-1-2-10(8-11)13-5-4-12(23-13)9-14-16(22)19(17(24)25-14)7-6-15(20)21/h1-5,8-9H,6-7H2,(H,20,21)/p-1/b14-9-
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The Ohio State University



Assay Description
The Tau content of fractions was determined by dot blot analysis using nitrocellulose membranes (0.2 μm porosity) as described previously [Cisek...


J Biol Chem 288: 32599-611 (2013)

More data for this
Ligand-Target Pair
Microtubule-associated protein Tau isoform 2N4R (Tau 2N4R)


(Homo sapiens (Human))
BDBM50052802
PNG
(CHEBI:77181 | CRYSTAL VIOLET | Crystal violet (15)...)
Show SMILES CN(C)c1ccc(cc1)C(=C1C=CC(C=C1)=[N+](C)C)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C25H30N3/c1-26(2)22-13-7-19(8-14-22)25(20-9-15-23(16-10-20)27(3)4)21-11-17-24(18-12-21)28(5)6/h7-18H,1-6H3/q+1
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The Ohio State University



Assay Description
The Tau content of fractions was determined by dot blot analysis using nitrocellulose membranes (0.2 μm porosity) as described previously [Cisek...


J Biol Chem 288: 32599-611 (2013)

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
Microtubule-associated protein Tau isoform 2N4R (Tau 2N4R)


(Homo sapiens (Human))
BDBM214729
PNG
(Malachite green (16))
Show SMILES CN(C)c1ccc(cc1)C(=C1C=CC(C=C1)=[N+](C)C)c1ccccc1
Show InChI InChI=1S/C23H25N2/c1-24(2)21-14-10-19(11-15-21)23(18-8-6-5-7-9-18)20-12-16-22(17-13-20)25(3)4/h5-17H,1-4H3/q+1
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PubMed
n/an/a 520n/an/an/an/an/an/a



The Ohio State University



Assay Description
The Tau content of fractions was determined by dot blot analysis using nitrocellulose membranes (0.2 μm porosity) as described previously [Cisek...


J Biol Chem 288: 32599-611 (2013)

More data for this
Ligand-Target Pair
Microtubule-associated protein Tau isoform 2N4R (Tau 2N4R)


(Homo sapiens (Human))
BDBM214741
PNG
(Rhodanines, 29A)
Show SMILES O=C1N(Cc2nc3ccccc3[nH]2)C(=S)S\C1=C/c1ccc(o1)-c1ccc(cc1)-n1cccc1
Show InChI InChI=1S/C26H18N4O2S2/c31-25-23(34-26(33)30(25)16-24-27-20-5-1-2-6-21(20)28-24)15-19-11-12-22(32-19)17-7-9-18(10-8-17)29-13-3-4-14-29/h1-15H,16H2,(H,27,28)/b23-15-
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
PubMed
n/an/a 540n/an/an/an/an/an/a



The Ohio State University



Assay Description
The Tau content of fractions was determined by dot blot analysis using nitrocellulose membranes (0.2 μm porosity) as described previously [Cisek...


J Biol Chem 288: 32599-611 (2013)

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+
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
US Patent
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
Microtubule-associated protein Tau isoform 2N4R (Tau 2N4R)


(Homo sapiens (Human))
BDBM214742
PNG
(Rhodanines, 30A)
Show SMILES [O-]C(=O)Cc1ccc(CN2C(=S)S\C(=C/c3ccc(o3)-c3ccc(cc3)-c3ccc(o3)C([O-])=O)C2=O)cc1
Show InChI InChI=1S/C28H19NO7S2/c30-25(31)13-16-1-3-17(4-2-16)15-29-26(32)24(38-28(29)37)14-20-9-10-21(35-20)18-5-7-19(8-6-18)22-11-12-23(36-22)27(33)34/h1-12,14H,13,15H2,(H,30,31)(H,33,34)/p-2/b24-14-
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
PubMed
n/an/a 580n/an/an/an/an/an/a



The Ohio State University



Assay Description
The Tau content of fractions was determined by dot blot analysis using nitrocellulose membranes (0.2 μm porosity) as described previously [Cisek...


J Biol Chem 288: 32599-611 (2013)

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+
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
US Patent
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
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