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There are 17 purchasable compounds for target: Paired helical filament-tau

Wt: 318.2
BDBM15236
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Wt: 264.3
BDBM17747
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Wt: 318.2
BDBM26655
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Wt: 369.3
BDBM47032
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Wt: 266.2
BDBM108083
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Wt: 458.3
BDBM50070942
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Wt: 256.3
BDBM50129793
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Wt: 284.3
BDBM50241461
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Wt: 344.4
BDBM50398211
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Wt: 270.3
BDBM50430742
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Wt: 284.3
BDBM50434369
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Wt: 228.2
BDBM50434370
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Wt: 256.3
BDBM50434371
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Wt: 365.4
BDBM50020863
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Wt: 291.7
BDBM50055937
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Displayed 1 to 15 (of 17 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 21 hits for monomerid = 15236,17747,26655,47032,108083,50070942,50129793,50241461,50398211,50430742,50434369,50434370,50434371,50020863,50055937   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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

Curated by ChEMBL


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


ACS Med Chem Lett 3: 936-941 (2012)


Article DOI: 10.1021/ml300216t
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 |(19,-12.67,;17.67,-11.9,;16.33,-12.67,;15,-11.9,;13.67,-12.67,;12.34,-11.9,;11,-12.67,;9.67,-11.9,;9.67,-10.36,;11,-9.59,;12.34,-10.36,;13.67,-9.59,;15,-10.36,;16.33,-9.59,;17.67,-10.36,;19,-9.59,;8.33,-9.59,;7,-10.36,;8.33,-8.05,)|
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)


Article DOI: 10.1021/jm3015926
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))
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))
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
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)


Article DOI: 10.1021/jm300653b
More data for this
Ligand-Target Pair
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 1.40E+3n/an/an/an/an/an/a



Doshisha University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human TAU three-repeat microtubule-binding domain aggregation expressed in Escherichia coli after 16 hrs by thioflavin T fl...


Bioorg Med Chem Lett 26: 5024-5028 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.092
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 |(-6.69,-.96,;-5.34,-1.73,;-5.34,-3.28,;-4,-.96,;-4,.55,;-2.67,1.33,;-1.33,.55,;,1.33,;1.33,.55,;2.66,1.33,;4,.55,;4,-.96,;2.66,-1.73,;1.33,-.96,;,-1.73,;-1.33,-.96,;-2.67,-1.73,;5.34,-1.73,;5.34,-3.28,;6.68,-.96,)|
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 3.40E+3n/an/an/an/an/an/a



Humboldt-Universit£t zu Berlin

Curated by ChEMBL


Assay Description
Inhibition of tau protein aggregation (unknown origin) by Western blot analysis


J Med Chem 56: 4135-55 (2013)


Article DOI: 10.1021/jm3017317
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 |(19,-12.67,;17.67,-11.9,;16.33,-12.67,;15,-11.9,;13.67,-12.67,;12.34,-11.9,;11,-12.67,;9.67,-11.9,;9.67,-10.36,;11,-9.59,;12.34,-10.36,;13.67,-9.59,;15,-10.36,;16.33,-9.59,;17.67,-10.36,;19,-9.59,;8.33,-9.59,;7,-10.36,;8.33,-8.05,)|
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)


Article DOI: 10.1021/jm3017317
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)


Article DOI: 10.1021/jm3017317
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 |(14.23,-9.19,;14.24,-7.65,;15.58,-6.89,;12.91,-6.88,;12.92,-5.34,;11.59,-4.55,;10.26,-5.32,;8.92,-4.54,;7.58,-5.32,;6.25,-4.56,;4.92,-5.33,;4.92,-6.87,;3.59,-7.64,;6.25,-7.64,;7.58,-6.86,;8.91,-7.64,;10.25,-6.86,;11.57,-7.64,)|
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)


Article DOI: 10.1021/jm3017317
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)


Article DOI: 10.1021/jm3017317
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 |r|
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)


Article DOI: 10.1021/jm3017317
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 |(14.23,-9.19,;14.24,-7.65,;15.58,-6.89,;12.91,-6.88,;12.92,-5.34,;11.59,-4.55,;10.26,-5.32,;8.92,-4.54,;7.58,-5.32,;6.25,-4.56,;4.92,-5.33,;4.92,-6.87,;3.59,-7.64,;6.25,-7.64,;7.58,-6.86,;8.91,-7.64,;10.25,-6.86,;11.57,-7.64,)|
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 2.60E+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)


Article DOI: 10.1021/jm3017317
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 |(-6.69,-.96,;-5.34,-1.73,;-5.34,-3.28,;-4,-.96,;-4,.55,;-2.67,1.33,;-1.33,.55,;,1.33,;1.33,.55,;2.66,1.33,;4,.55,;4,-.96,;2.66,-1.73,;1.33,-.96,;,-1.73,;-1.33,-.96,;-2.67,-1.73,;5.34,-1.73,;5.34,-3.28,;6.68,-.96,)|
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)


Article DOI: 10.1021/jm3017317
More data for this
Ligand-Target Pair
Tau


(Homo sapiens (Human))
BDBM50129793
PNG
(2-(4''-methylaminophenyl)-6-hydroxybenzothiazole |...)
Show SMILES CNc1ccc(cc1)-c1nc2ccc(O)cc2s1
Show InChI InChI=1S/C14H12N2OS/c1-15-10-4-2-9(3-5-10)14-16-12-7-6-11(17)8-13(12)18-14/h2-8,15,17H,1H3
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n/an/a 3.26E+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)


Article DOI: 10.1016/j.bmcl.2012.09.109
More data for this
Ligand-Target Pair
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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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
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<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
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+
PDB

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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)


Article DOI: 10.1016/j.bmcl.2012.09.109
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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PC cid
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UniChem
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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)


Article DOI: 10.1021/ml500147n
More data for this
Ligand-Target Pair
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
PDB

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PC cid
PC sid
UniChem
Article
PubMed
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
More data for this
Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 15236,17747,26655,47032,108083,50070942,50129793,50241461,50398211,50430742,50434369,50434370,50434371,50020863,50055937
Cell (A)Syringe (B)Cell
Links
Syringe
Links
Cell + Syr
Links
ΔG°
kcal/mole
-TΔS°
kcal/mole
ΔH°
kcal/mole
log KpHTemp
°C
BDBM197310
JPEG
BDBM50241461
JPEG
PC cid
PC sid
PC cid
PC sid
-10.3n/an/a7.597.4024.9



University of California San Diego





J Comput Aided Mol Des (2016)