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Compile Data Set for Download or QSAR

Found 24 hits from Doshisha University   
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))
BDBM50198621
PNG
(CHEMBL3911126)
Show SMILES COc1cc(O)ccc1\C=C\C(=O)CC(=O)\C=C\c1ccc2cc[nH]c2c1
Show InChI InChI=1S/C22H19NO4/c1-27-22-14-20(26)9-6-17(22)5-8-19(25)13-18(24)7-3-15-2-4-16-10-11-23-21(16)12-15/h2-12,14,23,26H,13H2,1H3/b7-3+,8-5+
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n/an/a 230n/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
BindingDB Entry DOI: 10.7270/Q2833V0M
More data for this
Ligand-Target Pair
Tau


(Homo sapiens (Human))
BDBM50198619
PNG
(CHEMBL3970179)
Show SMILES COc1cc(O)cc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)c(OC)c2)c1
Show InChI InChI=1S/C21H20O6/c1-26-19-10-15(9-18(24)13-19)4-7-17(23)12-16(22)6-3-14-5-8-20(25)21(11-14)27-2/h3-11,13,24-25H,12H2,1-2H3/b6-3+,7-4+
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n/an/a 320n/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
BindingDB Entry DOI: 10.7270/Q2833V0M
More data for this
Ligand-Target Pair
Tau


(Homo sapiens (Human))
BDBM50198623
PNG
(CHEMBL3948937)
Show SMILES COc1cc(OCc2ccccn2)ccc1\C=C\C(=O)CC(=O)\C=C\c1ccc2cc[nH]c2c1
Show InChI InChI=1S/C28H24N2O4/c1-33-28-18-26(34-19-23-4-2-3-14-29-23)12-9-22(28)8-11-25(32)17-24(31)10-6-20-5-7-21-13-15-30-27(21)16-20/h2-16,18,30H,17,19H2,1H3/b10-6+,11-8+
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n/an/a 330n/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
BindingDB Entry DOI: 10.7270/Q2833V0M
More data for this
Ligand-Target Pair
Tau


(Homo sapiens (Human))
BDBM50198631
PNG
(CHEMBL3938007)
Show SMILES COc1cc(OCC2CCCO2)ccc1\C=C\C(=O)CC(=O)\C=C\c1ccc2cc[nH]c2c1
Show InChI InChI=1S/C27H27NO5/c1-31-27-17-24(33-18-25-3-2-14-32-25)11-8-21(27)7-10-23(30)16-22(29)9-5-19-4-6-20-12-13-28-26(20)15-19/h4-13,15,17,25,28H,2-3,14,16,18H2,1H3/b9-5+,10-7+
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n/an/a 420n/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
BindingDB Entry DOI: 10.7270/Q2833V0M
More data for this
Ligand-Target Pair
Tau


(Homo sapiens (Human))
BDBM50198615
PNG
(CHEMBL3922663)
Show SMILES COc1cc(\C=C\C(=O)CC(=O)\C=C\c2ccc3ccccc3c2)ccc1O
Show InChI InChI=1S/C24H20O4/c1-28-24-15-18(9-13-23(24)27)8-12-22(26)16-21(25)11-7-17-6-10-19-4-2-3-5-20(19)14-17/h2-15,27H,16H2,1H3/b11-7+,12-8+
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n/an/a 420n/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
BindingDB Entry DOI: 10.7270/Q2833V0M
More data for this
Ligand-Target Pair
Tau


(Homo sapiens (Human))
BDBM50198626
PNG
(CHEMBL3950384)
Show SMILES COc1cc(\C=C\C(=O)CC(=O)\C=C\c2ccc3cc[nH]c3c2)ccc1O
Show InChI InChI=1S/C22H19NO4/c1-27-22-13-16(5-9-21(22)26)4-8-19(25)14-18(24)7-3-15-2-6-17-10-11-23-20(17)12-15/h2-13,23,26H,14H2,1H3/b7-3+,8-4+
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n/an/a 440n/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
BindingDB Entry DOI: 10.7270/Q2833V0M
More data for this
Ligand-Target Pair
Tau


(Homo sapiens (Human))
BDBM50198618
PNG
(CHEMBL3958051)
Show SMILES COc1ccc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)c(OC)c2)cc1O
Show InChI InChI=1S/C21H20O6/c1-26-20-10-6-14(11-19(20)25)3-7-16(22)13-17(23)8-4-15-5-9-18(24)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3/b7-3+,8-4+
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n/an/a 520n/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
BindingDB Entry DOI: 10.7270/Q2833V0M
More data for this
Ligand-Target Pair
Tau


(Homo sapiens (Human))
BDBM149234
PNG
(US8962674, CU085)
Show SMILES COc1cc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)cc2OC)ccc1O
Show InChI InChI=1S/C21H20O6/c1-26-20-13-18(24)9-6-15(20)5-8-17(23)12-16(22)7-3-14-4-10-19(25)21(11-14)27-2/h3-11,13,24-25H,12H2,1-2H3/b7-3+,8-5+
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n/an/a 580n/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
BindingDB Entry DOI: 10.7270/Q2833V0M
More data for this
Ligand-Target Pair
Tau


(Homo sapiens (Human))
BDBM50198627
PNG
(CHEMBL3969106)
Show SMILES COc1cc(\C=C\C(=O)CC(=O)\C=C\c2cc(O)ccc2OC)ccc1O
Show InChI InChI=1S/C21H20O6/c1-26-20-10-8-16(22)12-15(20)5-7-18(24)13-17(23)6-3-14-4-9-19(25)21(11-14)27-2/h3-12,22,25H,13H2,1-2H3/b6-3+,7-5+
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n/an/a 600n/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
BindingDB Entry DOI: 10.7270/Q2833V0M
More data for this
Ligand-Target Pair
Tau


(Homo sapiens (Human))
BDBM50198614
PNG
(CHEMBL3901022)
Show SMILES COc1cc(OCc2ccccc2)ccc1\C=C\C(=O)CC(=O)\C=C\c1ccc2cc[nH]c2c1
Show InChI InChI=1S/C29H25NO4/c1-33-29-19-27(34-20-22-5-3-2-4-6-22)14-11-24(29)10-13-26(32)18-25(31)12-8-21-7-9-23-15-16-30-28(23)17-21/h2-17,19,30H,18,20H2,1H3/b12-8+,13-10+
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n/an/a 610n/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
BindingDB Entry DOI: 10.7270/Q2833V0M
More data for this
Ligand-Target Pair
Tau


(Homo sapiens (Human))
BDBM50198624
PNG
(CHEMBL3953399)
Show SMILES COc1cc(OCc2ccccn2)ccc1\C=C\c1cc(\C=C\c2ccc3cc[nH]c3c2)[nH]n1
Show InChI InChI=1S/C28H24N4O2/c1-33-28-18-26(34-19-25-4-2-3-14-29-25)12-9-22(28)8-11-24-17-23(31-32-24)10-6-20-5-7-21-13-15-30-27(21)16-20/h2-18,30H,19H2,1H3,(H,31,32)/b10-6+,11-8+
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n/an/a 660n/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
BindingDB Entry DOI: 10.7270/Q2833V0M
More data for this
Ligand-Target Pair
Tau


(Homo sapiens (Human))
BDBM50198628
PNG
(CHEMBL3986412)
Show SMILES COc1cccc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)c(OC)c2)c1O
Show InChI InChI=1S/C21H20O6/c1-26-19-5-3-4-15(21(19)25)8-10-17(23)13-16(22)9-6-14-7-11-18(24)20(12-14)27-2/h3-12,24-25H,13H2,1-2H3/b9-6+,10-8+
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n/an/a 690n/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
BindingDB Entry DOI: 10.7270/Q2833V0M
More data for this
Ligand-Target Pair
Tau


(Homo sapiens (Human))
BDBM50198622
PNG
(CHEMBL3965306)
Show SMILES COc1ccc(\C=C\C(=O)CC(=O)\C=C\c2ccc3cc[nH]c3c2)c(OC)c1
Show InChI InChI=1S/C23H21NO4/c1-27-21-10-7-18(23(15-21)28-2)6-9-20(26)14-19(25)8-4-16-3-5-17-11-12-24-22(17)13-16/h3-13,15,24H,14H2,1-2H3/b8-4+,9-6+
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n/an/a 700n/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
BindingDB Entry DOI: 10.7270/Q2833V0M
More data for this
Ligand-Target Pair
Tau


(Homo sapiens (Human))
BDBM50198625
PNG
(CHEMBL3911667)
Show SMILES COc1cc(\C=C\C(=O)CC(=O)\C=C\c2cccc(O)c2OC)ccc1O
Show InChI InChI=1S/C21H20O6/c1-26-20-12-14(7-11-18(20)24)6-9-16(22)13-17(23)10-8-15-4-3-5-19(25)21(15)27-2/h3-12,24-25H,13H2,1-2H3/b9-6+,10-8+
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n/an/a 710n/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
BindingDB Entry DOI: 10.7270/Q2833V0M
More data for this
Ligand-Target Pair
Tau


(Homo sapiens (Human))
BDBM149273
PNG
(US8962674, CU279)
Show SMILES COc1cc(\C=C\C(=O)CC(=O)\C=C\c2c(O)cccc2OC)ccc1O
Show InChI InChI=1S/C21H20O6/c1-26-20-5-3-4-18(24)17(20)10-9-16(23)13-15(22)8-6-14-7-11-19(25)21(12-14)27-2/h3-12,24-25H,13H2,1-2H3/b8-6+,10-9+
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n/an/a 910n/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
BindingDB Entry DOI: 10.7270/Q2833V0M
More data for this
Ligand-Target Pair
Tau


(Homo sapiens (Human))
BDBM50198617
PNG
(CHEMBL3940632)
Show SMILES COc1ccc(O)c(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)c(OC)c2)c1
Show InChI InChI=1S/C21H20O6/c1-26-18-8-10-19(24)15(12-18)5-7-17(23)13-16(22)6-3-14-4-9-20(25)21(11-14)27-2/h3-12,24-25H,13H2,1-2H3/b6-3+,7-5+
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n/an/a 920n/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
BindingDB Entry DOI: 10.7270/Q2833V0M
More data for this
Ligand-Target Pair
Tau


(Homo sapiens (Human))
BDBM50198629
PNG
(CHEMBL3978488)
Show SMILES COc1cc(\C=C\C(=O)CC(=O)\C=C\c2ccc3OCOc3c2)ccc1O
Show InChI InChI=1S/C21H18O6/c1-25-20-10-14(4-8-18(20)24)2-6-16(22)12-17(23)7-3-15-5-9-19-21(11-15)27-13-26-19/h2-11,24H,12-13H2,1H3/b6-2+,7-3+
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n/an/a 1.20E+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
BindingDB Entry DOI: 10.7270/Q2833V0M
More data for this
Ligand-Target Pair
Tau


(Homo sapiens (Human))
BDBM149270
PNG
(US8962674, CU256)
Show SMILES COc1ccc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)c(OC)c2)c(O)c1
Show InChI InChI=1S/C21H20O6/c1-26-18-9-6-15(20(25)13-18)5-8-17(23)12-16(22)7-3-14-4-10-19(24)21(11-14)27-2/h3-11,13,24-25H,12H2,1-2H3/b7-3+,8-5+
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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
BindingDB Entry DOI: 10.7270/Q2833V0M
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
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
BindingDB Entry DOI: 10.7270/Q2833V0M
More data for this
Ligand-Target Pair
Tau


(Homo sapiens (Human))
BDBM50198620
PNG
(CHEMBL3892054)
Show SMILES COc1cc(\C=C\C(=O)CC(=O)\C=C\c2ccccc2)ccc1O
Show InChI InChI=1S/C20H18O4/c1-24-20-13-16(9-12-19(20)23)8-11-18(22)14-17(21)10-7-15-5-3-2-4-6-15/h2-13,23H,14H2,1H3/b10-7+,11-8+
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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
BindingDB Entry DOI: 10.7270/Q2833V0M
More data for this
Ligand-Target Pair
Tau


(Homo sapiens (Human))
BDBM50198630
PNG
(CHEMBL3981143)
Show SMILES COc1cc(\C=C\C(=O)CC(=O)\C=C\c2ccco2)ccc1O
Show InChI InChI=1S/C18H16O5/c1-22-18-11-13(5-9-17(18)21)4-6-14(19)12-15(20)7-8-16-3-2-10-23-16/h2-11,21H,12H2,1H3/b6-4+,8-7+
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n/an/a 2.00E+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
BindingDB Entry DOI: 10.7270/Q2833V0M
More data for this
Ligand-Target Pair
Tau


(Homo sapiens (Human))
BDBM50140172
PNG
(CHEBI:3962 | CHEMBL140 | Curcumin | US9409845, Tab...)
Show SMILES COc1cc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)c(OC)c2)ccc1O
Show InChI InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3/b7-3+,8-4+
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n/an/a 3.00E+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
BindingDB Entry DOI: 10.7270/Q2833V0M
More data for this
Ligand-Target Pair
Tau


(Homo sapiens (Human))
BDBM50198452
PNG
(CHEMBL3889997)
Show SMILES COc1cc(\C=C\C(=O)CC(=O)\C=C\c2cccnc2)ccc1O
Show InChI InChI=1S/C19H17NO4/c1-24-19-11-14(6-9-18(19)23)4-7-16(21)12-17(22)8-5-15-3-2-10-20-13-15/h2-11,13,23H,12H2,1H3/b7-4+,8-5+
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n/an/a>1.00E+4n/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
BindingDB Entry DOI: 10.7270/Q2833V0M
More data for this
Ligand-Target Pair
Tau


(Homo sapiens (Human))
BDBM50198616
PNG
(CHEMBL3942680)
Show SMILES COc1cc(O)ccc1\C=C\C(=O)CC(=O)\C=C\c1ccc(O)cc1OC
Show InChI InChI=1S/C21H20O6/c1-26-20-12-18(24)9-5-14(20)3-7-16(22)11-17(23)8-4-15-6-10-19(25)13-21(15)27-2/h3-10,12-13,24-25H,11H2,1-2H3/b7-3+,8-4+
PDB

KEGG

UniProtKB/SwissProt

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UniChem

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Article
PubMed
n/an/a>1.00E+4n/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
BindingDB Entry DOI: 10.7270/Q2833V0M
More data for this
Ligand-Target Pair