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PubMed code 25086914

Compile data set for download or QSAR
Found 23 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Microtubule-associated protein 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)


Article DOI: 10.1016/j.ejmech.2014.07.095
BindingDB Entry DOI: 10.7270/Q2RJ4M4Q
More data for this
Ligand-Target Pair
Microtubule-associated protein 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)


Article DOI: 10.1016/j.ejmech.2014.07.095
BindingDB Entry DOI: 10.7270/Q2RJ4M4Q
More data for this
Ligand-Target Pair
Microtubule-associated protein 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)


Article DOI: 10.1016/j.ejmech.2014.07.095
BindingDB Entry DOI: 10.7270/Q2RJ4M4Q
More data for this
Ligand-Target Pair
Microtubule-associated protein 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)


Article DOI: 10.1016/j.ejmech.2014.07.095
BindingDB Entry DOI: 10.7270/Q2RJ4M4Q
More data for this
Ligand-Target Pair
Microtubule-associated protein tau


(Homo sapiens (Human))
BDBM50241461
PNG
(3,7-bis(dimethylamino)phenothiazin-5-ium chloride ...)
Show SMILES CN(C)c1ccc2nc3ccc(cc3sc2c1)=[N+](C)C |(17.73,-40.24,;19.06,-41.01,;19.06,-42.55,;20.39,-40.24,;20.4,-38.7,;21.73,-37.93,;23.06,-38.69,;24.39,-37.91,;25.73,-38.69,;27.06,-37.93,;28.39,-38.69,;28.39,-40.23,;27.06,-41,;25.73,-40.23,;24.39,-41.01,;23.06,-40.24,;21.73,-41.01,;29.73,-41,;29.73,-42.54,;31.06,-40.23,)|
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 2.20E+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)


Article DOI: 10.1016/j.ejmech.2014.07.095
BindingDB Entry DOI: 10.7270/Q2RJ4M4Q
More data for this
Ligand-Target Pair
Microtubule-associated protein 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<3.00E+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)


Article DOI: 10.1016/j.ejmech.2014.07.095
BindingDB Entry DOI: 10.7270/Q2RJ4M4Q
More data for this
Ligand-Target Pair
Microtubule-associated protein tau


(Homo sapiens (Human))
BDBM50055938
PNG
(CHEBI:87639 | CHEMBL3330736)
Show SMILES [Cl-].CNc1ccc2nc3ccc(cc3[s+]c2c1)N(C)C
Show InChI InChI=1S/C15H16N3S.ClH/c1-16-10-4-6-12-14(8-10)19-15-9-11(18(2)3)5-7-13(15)17-12;/h4-9,16H,1-3H3;1H/q+1;/p-1
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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


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


Article DOI: 10.1016/j.ejmech.2014.07.095
BindingDB Entry DOI: 10.7270/Q2RJ4M4Q
More data for this
Ligand-Target Pair
Microtubule-associated protein tau


(Homo sapiens (Human))
BDBM50055937
PNG
(CHEBI:87637 | CHEMBL3330735)
Show SMILES [Cl-].CN(C)c1ccc2nc3ccc(N)cc3[s+]c2c1
Show InChI InChI=1S/C14H14N3S.ClH/c1-17(2)10-4-6-12-14(8-10)18-13-7-9(15)3-5-11(13)16-12;/h3-8H,15H2,1-2H3;1H/q+1;/p-1
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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


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


Article DOI: 10.1016/j.ejmech.2014.07.095
BindingDB Entry DOI: 10.7270/Q2RJ4M4Q
More data for this
Ligand-Target Pair
Microtubule-associated protein tau


(Homo sapiens (Human))
BDBM26655
PNG
(2-(3,4-dihydroxyphenyl)-3,5,7,8-tetrahydroxy-4H-ch...)
Show SMILES Oc1ccc(cc1O)-c1oc2c(O)c(O)cc(O)c2c(=O)c1O
Show InChI InChI=1S/C15H10O8/c16-6-2-1-5(3-7(6)17)14-13(22)12(21)10-8(18)4-9(19)11(20)15(10)23-14/h1-4,16-20,22H
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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


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


Article DOI: 10.1016/j.ejmech.2014.07.095
BindingDB Entry DOI: 10.7270/Q2RJ4M4Q
More data for this
Ligand-Target Pair
Microtubule-associated protein tau


(Homo sapiens (Human))
BDBM50055945
PNG
(CHEMBL3330741)
Show SMILES O=[#6]-1-[#7]-[#6](=O)\[#6](=[#6]/c2ccc(s2)-c2ccc(s2)-c2ccc(cc2)-[#7](-c2ccccc2)-c2ccccc2)-[#6](=O)-[#7]-1
Show InChI InChI=1S/C31H21N3O3S2/c35-29-25(30(36)33-31(37)32-29)19-24-15-16-27(38-24)28-18-17-26(39-28)20-11-13-23(14-12-20)34(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-19H,(H2,32,33,35,36,37)
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n/an/a>1.00E+4n/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)


Article DOI: 10.1016/j.ejmech.2014.07.095
BindingDB Entry DOI: 10.7270/Q2RJ4M4Q
More data for this
Ligand-Target Pair
Microtubule-associated protein tau


(Homo sapiens (Human))
BDBM50055944
PNG
(CHEMBL3330740)
Show SMILES NC(=O)C(=C\c1ccc(s1)-c1ccc(s1)-c1ccc(cc1)N(c1ccccc1)c1ccccc1)\C#N
Show InChI InChI=1S/C30H21N3OS2/c31-20-22(30(32)34)19-26-15-16-28(35-26)29-18-17-27(36-29)21-11-13-25(14-12-21)33(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-19H,(H2,32,34)/b22-19+
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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


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


Article DOI: 10.1016/j.ejmech.2014.07.095
BindingDB Entry DOI: 10.7270/Q2RJ4M4Q
More data for this
Ligand-Target Pair
Microtubule-associated protein tau


(Homo sapiens (Human))
BDBM50055942
PNG
(CHEMBL3330738)
Show SMILES N#C\[#6](=[#6]/c1ccc(s1)-c1ccc(s1)-c1ccc(cc1)-[#7](-c1ccccc1)-c1ccccc1)C#N
Show InChI InChI=1S/C30H19N3S2/c31-20-22(21-32)19-27-15-16-29(34-27)30-18-17-28(35-30)23-11-13-26(14-12-23)33(24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-19H
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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


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


Article DOI: 10.1016/j.ejmech.2014.07.095
BindingDB Entry DOI: 10.7270/Q2RJ4M4Q
More data for this
Ligand-Target Pair
Microtubule-associated protein tau


(Homo sapiens (Human))
BDBM50055946
PNG
(CHEMBL3330742)
Show SMILES [#6]-[#7]-1-[#6](=O)-[#7](-[#6])-[#6](=O)\[#6](=[#6]/c2ccc(s2)-c2ccc(s2)-c2ccc(cc2)-[#7](-c2ccccc2)-c2ccccc2)-[#6]-1=O
Show InChI InChI=1S/C33H25N3O3S2/c1-34-31(37)27(32(38)35(2)33(34)39)21-26-17-18-29(40-26)30-20-19-28(41-30)22-13-15-25(16-14-22)36(23-9-5-3-6-10-23)24-11-7-4-8-12-24/h3-21H,1-2H3
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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


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


Article DOI: 10.1016/j.ejmech.2014.07.095
BindingDB Entry DOI: 10.7270/Q2RJ4M4Q
More data for this
Ligand-Target Pair
Microtubule-associated protein tau


(Homo sapiens (Human))
BDBM50055950
PNG
(CHEMBL3330746)
Show SMILES CC(C)(C)n1c2cc(sc2c2sc(cc12)-c1ccc(cc1)N(c1ccccc1)c1ccccc1)-c1ccc(C=O)s1
Show InChI InChI=1S/C35H28N2OS3/c1-35(2,3)37-28-20-31(40-33(28)34-29(37)21-32(41-34)30-19-18-27(22-38)39-30)23-14-16-26(17-15-23)36(24-10-6-4-7-11-24)25-12-8-5-9-13-25/h4-22H,1-3H3
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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


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


Article DOI: 10.1016/j.ejmech.2014.07.095
BindingDB Entry DOI: 10.7270/Q2RJ4M4Q
More data for this
Ligand-Target Pair
Microtubule-associated protein tau


(Homo sapiens (Human))
BDBM50055943
PNG
(CHEMBL3330739)
Show SMILES O=Cc1ccc(s1)-c1ccc(s1)-c1ccc(cc1)N(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H19NOS2/c29-19-24-15-16-26(30-24)27-18-17-25(31-27)20-11-13-23(14-12-20)28(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-19H
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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


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


Article DOI: 10.1016/j.ejmech.2014.07.095
BindingDB Entry DOI: 10.7270/Q2RJ4M4Q
More data for this
Ligand-Target Pair
Microtubule-associated protein tau


(Homo sapiens (Human))
BDBM50055947
PNG
(CHEMBL3330743)
Show SMILES O=Cc1ccc(s1)-c1ccc(-c2ccc(cc2)N(c2ccccc2)c2ccccc2)c2nsnc12
Show InChI InChI=1S/C29H19N3OS2/c33-19-24-15-18-27(34-24)26-17-16-25(28-29(26)31-35-30-28)20-11-13-23(14-12-20)32(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-19H
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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


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


Article DOI: 10.1016/j.ejmech.2014.07.095
BindingDB Entry DOI: 10.7270/Q2RJ4M4Q
More data for this
Ligand-Target Pair
Microtubule-associated protein tau


(Homo sapiens (Human))
BDBM50055939
PNG
(CHEMBL3330748)
Show SMILES CC(C)(C)n1c2cc(sc2c2sc(cc12)-c1ccc(cc1)N(c1ccccc1)c1ccccc1)-c1ccc(\C=C(/C#N)C(N)=O)s1
Show InChI InChI=1S/C38H30N4OS3/c1-38(2,3)42-30-21-33(24-14-16-28(17-15-24)41(26-10-6-4-7-11-26)27-12-8-5-9-13-27)45-35(30)36-31(42)22-34(46-36)32-19-18-29(44-32)20-25(23-39)37(40)43/h4-22H,1-3H3,(H2,40,43)/b25-20+
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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


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


Article DOI: 10.1016/j.ejmech.2014.07.095
BindingDB Entry DOI: 10.7270/Q2RJ4M4Q
More data for this
Ligand-Target Pair
Microtubule-associated protein tau


(Homo sapiens (Human))
BDBM50055940
PNG
(CHEMBL3330749)
Show SMILES COc1ccc(cc1)-c1ccc(s1)-c1ccc(C=O)s1
Show InChI InChI=1S/C16H12O2S2/c1-18-12-4-2-11(3-5-12)14-8-9-16(20-14)15-7-6-13(10-17)19-15/h2-10H,1H3
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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


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


Article DOI: 10.1016/j.ejmech.2014.07.095
BindingDB Entry DOI: 10.7270/Q2RJ4M4Q
More data for this
Ligand-Target Pair
Microtubule-associated protein tau


(Homo sapiens (Human))
BDBM50055948
PNG
(CHEMBL3330744)
Show SMILES N#C\[#6](=[#6]/c1ccc(s1)-c1ccc(-c2ccc(cc2)-[#7](-c2ccccc2)-c2ccccc2)c2nsnc12)C#N
Show InChI InChI=1S/C32H19N5S2/c33-20-22(21-34)19-27-15-18-30(38-27)29-17-16-28(31-32(29)36-39-35-31)23-11-13-26(14-12-23)37(24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-19H
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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


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


Article DOI: 10.1016/j.ejmech.2014.07.095
BindingDB Entry DOI: 10.7270/Q2RJ4M4Q
More data for this
Ligand-Target Pair
Microtubule-associated protein tau


(Homo sapiens (Human))
BDBM50055955
PNG
(CHEMBL3330752)
Show SMILES [#6]-[#8]-c1ccc(cc1)-c1cc2n(c3cc(sc3c2s1)-c1ccc(\[#6]=[#6](/C#N)C#N)s1)C([#6])([#6])[#6]
Show InChI InChI=1S/C27H21N3OS3/c1-27(2,3)30-20-12-23(17-5-7-18(31-4)8-6-17)33-25(20)26-21(30)13-24(34-26)22-10-9-19(32-22)11-16(14-28)15-29/h5-13H,1-4H3
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n/an/a>1.00E+4n/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)


Article DOI: 10.1016/j.ejmech.2014.07.095
BindingDB Entry DOI: 10.7270/Q2RJ4M4Q
More data for this
Ligand-Target Pair
Microtubule-associated protein tau


(Homo sapiens (Human))
BDBM50055952
PNG
(CHEMBL3330750)
Show SMILES [#6]-[#8]-c1ccc(cc1)-c1ccc(s1)-c1ccc(\[#6]=[#6](/C#N)C#N)s1
Show InChI InChI=1S/C19H12N2OS2/c1-22-15-4-2-14(3-5-15)17-8-9-19(24-17)18-7-6-16(23-18)10-13(11-20)12-21/h2-10H,1H3
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n/an/a>1.00E+4n/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)


Article DOI: 10.1016/j.ejmech.2014.07.095
BindingDB Entry DOI: 10.7270/Q2RJ4M4Q
More data for this
Ligand-Target Pair
Microtubule-associated protein tau


(Homo sapiens (Human))
BDBM50055949
PNG
(CHEMBL3330745)
Show SMILES NC(=O)C(=C\c1ccc(s1)-c1ccc(-c2ccc(cc2)N(c2ccccc2)c2ccccc2)c2nsnc12)\C#N
Show InChI InChI=1S/C32H21N5OS2/c33-20-22(32(34)38)19-26-15-18-29(39-26)28-17-16-27(30-31(28)36-40-35-30)21-11-13-25(14-12-21)37(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-19H,(H2,34,38)/b22-19+
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n/an/a>1.00E+4n/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)


Article DOI: 10.1016/j.ejmech.2014.07.095
BindingDB Entry DOI: 10.7270/Q2RJ4M4Q
More data for this
Ligand-Target Pair
Microtubule-associated protein tau


(Homo sapiens (Human))
BDBM50055951
PNG
(CHEMBL3330747)
Show SMILES [#6]C([#6])([#6])n1c2cc(sc2c2sc(cc12)-c1ccc(cc1)-[#7](-c1ccccc1)-c1ccccc1)-c1ccc(\[#6]=[#6](/C#N)C#N)s1
Show InChI InChI=1S/C38H28N4S3/c1-38(2,3)42-31-21-34(26-14-16-29(17-15-26)41(27-10-6-4-7-11-27)28-12-8-5-9-13-28)44-36(31)37-32(42)22-35(45-37)33-19-18-30(43-33)20-25(23-39)24-40/h4-22H,1-3H3
PDB

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Article
PubMed
n/an/a>1.00E+4n/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)


Article DOI: 10.1016/j.ejmech.2014.07.095
BindingDB Entry DOI: 10.7270/Q2RJ4M4Q
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%