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Compile Data Set for Download or QSAR

Found 25 hits Enz. Inhib. hit(s) with all data for entry = 50038687   
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
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50263930
PNG
(4-(2-(6-methoxybenzofuran-2-yl)vinyl)-N,N-dimethyl...)
Show SMILES COc1ccc2cc(\C=C\c3ccc(cc3)N(C)C)oc2c1
Show InChI InChI=1S/C19H19NO2/c1-20(2)16-8-4-14(5-9-16)6-10-18-12-15-7-11-17(21-3)13-19(15)22-18/h4-13H,1-3H3/b10-6+
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n/an/a 70n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of amyloid beta42 fibril formation by thioflavin T formation


Bioorg Med Chem Lett 18: 5591-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.111
BindingDB Entry DOI: 10.7270/Q20K29G7
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50263997
PNG
(4-(2-(5-methoxybenzofuran-2-yl)vinyl)-N-methylbenz...)
Show SMILES CNc1ccc(\C=C\c2cc3cc(OC)ccc3o2)cc1
Show InChI InChI=1S/C18H17NO2/c1-19-15-6-3-13(4-7-15)5-8-17-12-14-11-16(20-2)9-10-18(14)21-17/h3-12,19H,1-2H3/b8-5+
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n/an/a 80n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of amyloid beta42 fibril formation by thioflavin T formation


Bioorg Med Chem Lett 18: 5591-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.111
BindingDB Entry DOI: 10.7270/Q20K29G7
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50263881
PNG
(CHEMBL509088 | N,N-dimethyl-4-(2-(5-methylbenzofur...)
Show SMILES CN(C)c1ccc(\C=C\c2cc3cc(C)ccc3o2)cc1
Show InChI InChI=1S/C19H19NO/c1-14-4-11-19-16(12-14)13-18(21-19)10-7-15-5-8-17(9-6-15)20(2)3/h4-13H,1-3H3/b10-7+
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n/an/a 130n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of amyloid beta42 fibril formation by thioflavin T formation


Bioorg Med Chem Lett 18: 5591-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.111
BindingDB Entry DOI: 10.7270/Q20K29G7
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50263880
PNG
(2-(4-(dimethylamino)styryl)benzofuran-5-ol | CHEMB...)
Show SMILES CN(C)c1ccc(\C=C\c2cc3cc(O)ccc3o2)cc1
Show InChI InChI=1S/C18H17NO2/c1-19(2)15-6-3-13(4-7-15)5-9-17-12-14-11-16(20)8-10-18(14)21-17/h3-12,20H,1-2H3/b9-5+
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n/an/a 160n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of amyloid beta42 fibril formation by thioflavin T formation


Bioorg Med Chem Lett 18: 5591-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.111
BindingDB Entry DOI: 10.7270/Q20K29G7
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50264047
PNG
(2-methoxy-4-(2-(5-methoxybenzofuran-2-yl)vinyl)-N,...)
Show SMILES COc1ccc2oc(\C=C\c3ccc(N(C)C)c(OC)c3)cc2c1
Show InChI InChI=1S/C20H21NO3/c1-21(2)18-9-6-14(11-20(18)23-4)5-7-17-13-15-12-16(22-3)8-10-19(15)24-17/h5-13H,1-4H3/b7-5+
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n/an/a 160n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of amyloid beta42 fibril formation by thioflavin T formation


Bioorg Med Chem Lett 18: 5591-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.111
BindingDB Entry DOI: 10.7270/Q20K29G7
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50263885
PNG
(4-(2-(5-iodobenzofuran-2-yl)vinyl)-N,N-dimethylben...)
Show SMILES CN(C)c1ccc(\C=C\c2cc3cc(I)ccc3o2)cc1
Show InChI InChI=1S/C18H16INO/c1-20(2)16-7-3-13(4-8-16)5-9-17-12-14-11-15(19)6-10-18(14)21-17/h3-12H,1-2H3/b9-5+
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n/an/a 170n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of amyloid beta42 fibril formation by thioflavin T formation


Bioorg Med Chem Lett 18: 5591-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.111
BindingDB Entry DOI: 10.7270/Q20K29G7
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50263883
PNG
(4-(2-(5-chlorobenzofuran-2-yl)vinyl)-N,N-dimethylb...)
Show SMILES CN(C)c1ccc(\C=C\c2cc3cc(Cl)ccc3o2)cc1
Show InChI InChI=1S/C18H16ClNO/c1-20(2)16-7-3-13(4-8-16)5-9-17-12-14-11-15(19)6-10-18(14)21-17/h3-12H,1-2H3/b9-5+
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n/an/a 200n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of amyloid beta42 fibril formation by thioflavin T formation


Bioorg Med Chem Lett 18: 5591-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.111
BindingDB Entry DOI: 10.7270/Q20K29G7
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50263884
PNG
(4-(2-(5-bromobenzofuran-2-yl)vinyl)-N,N-dimethylbe...)
Show SMILES CN(C)c1ccc(\C=C\c2cc3cc(Br)ccc3o2)cc1
Show InChI InChI=1S/C18H16BrNO/c1-20(2)16-7-3-13(4-8-16)5-9-17-12-14-11-15(19)6-10-18(14)21-17/h3-12H,1-2H3/b9-5+
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n/an/a 470n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of amyloid beta42 fibril formation by thioflavin T formation


Bioorg Med Chem Lett 18: 5591-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.111
BindingDB Entry DOI: 10.7270/Q20K29G7
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50264048
PNG
(2-methoxy-4-(2-(6-methoxybenzofuran-2-yl)vinyl)-N,...)
Show SMILES COc1ccc2cc(\C=C\c3ccc(N(C)C)c(OC)c3)oc2c1
Show InChI InChI=1S/C20H21NO3/c1-21(2)18-10-6-14(11-20(18)23-4)5-8-17-12-15-7-9-16(22-3)13-19(15)24-17/h5-13H,1-4H3/b8-5+
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n/an/a 530n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of amyloid beta42 fibril formation by thioflavin T formation


Bioorg Med Chem Lett 18: 5591-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.111
BindingDB Entry DOI: 10.7270/Q20K29G7
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50067040
PNG
(((E,E)-1,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-hept...)
Show SMILES COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O |w:12.11,5.4|
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
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n/an/a 800n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of amyloid beta42 fibril formation by thioflavin T formation


Bioorg Med Chem Lett 18: 5591-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.111
BindingDB Entry DOI: 10.7270/Q20K29G7
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50264046
PNG
(4-(2-(6-methoxybenzofuran-2-yl)vinyl)-N-methylbenz...)
Show SMILES CNc1ccc(\C=C\c2cc3ccc(OC)cc3o2)cc1
Show InChI InChI=1S/C18H17NO2/c1-19-15-7-3-13(4-8-15)5-9-17-11-14-6-10-16(20-2)12-18(14)21-17/h3-12,19H,1-2H3/b9-5+
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n/an/a 800n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of amyloid beta42 fibril formation by thioflavin T formation


Bioorg Med Chem Lett 18: 5591-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.111
BindingDB Entry DOI: 10.7270/Q20K29G7
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50263828
PNG
(4-(2-(5-methoxybenzofuran-2-yl)vinyl)-N,N-dimethyl...)
Show SMILES COc1ccc2oc(\C=C\c3ccc(cc3)N(C)C)cc2c1
Show InChI InChI=1S/C19H19NO2/c1-20(2)16-7-4-14(5-8-16)6-9-18-13-15-12-17(21-3)10-11-19(15)22-18/h4-13H,1-3H3/b9-6+
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n/an/a 810n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of amyloid beta42 fibril formation by thioflavin T formation


Bioorg Med Chem Lett 18: 5591-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.111
BindingDB Entry DOI: 10.7270/Q20K29G7
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50263996
PNG
(4-(2-(5-methoxybenzofuran-2-yl)vinyl)benzenamine |...)
Show SMILES COc1ccc2oc(\C=C\c3ccc(N)cc3)cc2c1
Show InChI InChI=1S/C17H15NO2/c1-19-15-8-9-17-13(10-15)11-16(20-17)7-4-12-2-5-14(18)6-3-12/h2-11H,18H2,1H3/b7-4+
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n/an/a 820n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of amyloid beta42 fibril formation by thioflavin T formation


Bioorg Med Chem Lett 18: 5591-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.111
BindingDB Entry DOI: 10.7270/Q20K29G7
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50263935
PNG
(4-(2-(6-bromobenzofuran-2-yl)vinyl)-N,N-dimethylbe...)
Show SMILES CN(C)c1ccc(\C=C\c2cc3ccc(Br)cc3o2)cc1
Show InChI InChI=1S/C18H16BrNO/c1-20(2)16-8-3-13(4-9-16)5-10-17-11-14-6-7-15(19)12-18(14)21-17/h3-12H,1-2H3/b10-5+
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n/an/a 1.34E+3n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of amyloid beta42 fibril formation by thioflavin T formation


Bioorg Med Chem Lett 18: 5591-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.111
BindingDB Entry DOI: 10.7270/Q20K29G7
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50263882
PNG
(4-(2-(5-fluorobenzofuran-2-yl)vinyl)-N,N-dimethylb...)
Show SMILES CN(C)c1ccc(\C=C\c2cc3cc(F)ccc3o2)cc1
Show InChI InChI=1S/C18H16FNO/c1-20(2)16-7-3-13(4-8-16)5-9-17-12-14-11-15(19)6-10-18(14)21-17/h3-12H,1-2H3/b9-5+
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n/an/a 1.98E+3n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of amyloid beta42 fibril formation by thioflavin T formation


Bioorg Med Chem Lett 18: 5591-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.111
BindingDB Entry DOI: 10.7270/Q20K29G7
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50263999
PNG
(2-(4-(methylamino)styryl)benzofuran-5-ol hydrochlo...)
Show SMILES CNc1ccc(\C=C\c2cc3cc(O)ccc3o2)cc1
Show InChI InChI=1S/C17H15NO2/c1-18-14-5-2-12(3-6-14)4-8-16-11-13-10-15(19)7-9-17(13)20-16/h2-11,18-19H,1H3/b8-4+
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n/an/a 2.16E+3n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of amyloid beta42 fibril formation by thioflavin T formation


Bioorg Med Chem Lett 18: 5591-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.111
BindingDB Entry DOI: 10.7270/Q20K29G7
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50263933
PNG
(4-(2-(6-fluorobenzofuran-2-yl)vinyl)-N,N-dimethylb...)
Show SMILES CN(C)c1ccc(\C=C\c2cc3ccc(F)cc3o2)cc1
Show InChI InChI=1S/C18H16FNO/c1-20(2)16-8-3-13(4-9-16)5-10-17-11-14-6-7-15(19)12-18(14)21-17/h3-12H,1-2H3/b10-5+
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n/an/a 2.19E+3n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of amyloid beta42 fibril formation by thioflavin T formation


Bioorg Med Chem Lett 18: 5591-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.111
BindingDB Entry DOI: 10.7270/Q20K29G7
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50263827
PNG
(4-(2-(benzofuran-2-yl)vinyl)-N,N-dimethylbenzenami...)
Show SMILES CN(C)c1ccc(\C=C\c2cc3ccccc3o2)cc1
Show InChI InChI=1S/C18H17NO/c1-19(2)16-10-7-14(8-11-16)9-12-17-13-15-5-3-4-6-18(15)20-17/h3-13H,1-2H3/b12-9+
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n/an/a 2.30E+3n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of amyloid beta42 fibril formation by thioflavin T formation


Bioorg Med Chem Lett 18: 5591-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.111
BindingDB Entry DOI: 10.7270/Q20K29G7
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50263995
PNG
(4-(2-(6-iodobenzofuran-2-yl)vinyl)-N,N-dimethylben...)
Show SMILES CN(C)c1ccc(\C=C\c2cc3ccc(I)cc3o2)cc1
Show InChI InChI=1S/C18H16INO/c1-20(2)16-8-3-13(4-9-16)5-10-17-11-14-6-7-15(19)12-18(14)21-17/h3-12H,1-2H3/b10-5+
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n/an/a 2.80E+3n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of amyloid beta42 fibril formation by thioflavin T formation


Bioorg Med Chem Lett 18: 5591-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.111
BindingDB Entry DOI: 10.7270/Q20K29G7
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50263998
PNG
(2-(4-aminostyryl)benzofuran-5-ol hydrochloride | C...)
Show SMILES Nc1ccc(\C=C\c2cc3cc(O)ccc3o2)cc1
Show InChI InChI=1S/C16H13NO2/c17-13-4-1-11(2-5-13)3-7-15-10-12-9-14(18)6-8-16(12)19-15/h1-10,18H,17H2/b7-3+
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n/an/a 2.95E+3n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of amyloid beta42 fibril formation by thioflavin T formation


Bioorg Med Chem Lett 18: 5591-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.111
BindingDB Entry DOI: 10.7270/Q20K29G7
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50263934
PNG
(4-(2-(6-chlorobenzofuran-2-yl)vinyl)-N,N-dimethylb...)
Show SMILES CN(C)c1ccc(\C=C\c2cc3ccc(Cl)cc3o2)cc1
Show InChI InChI=1S/C18H16ClNO/c1-20(2)16-8-3-13(4-9-16)5-10-17-11-14-6-7-15(19)12-18(14)21-17/h3-12H,1-2H3/b10-5+
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n/an/a 3.21E+3n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of amyloid beta42 fibril formation by thioflavin T formation


Bioorg Med Chem Lett 18: 5591-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.111
BindingDB Entry DOI: 10.7270/Q20K29G7
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50263932
PNG
(CHEMBL491406 | N,N-dimethyl-4-(2-(6-methylbenzofur...)
Show SMILES CN(C)c1ccc(\C=C\c2cc3ccc(C)cc3o2)cc1
Show InChI InChI=1S/C19H19NO/c1-14-4-8-16-13-18(21-19(16)12-14)11-7-15-5-9-17(10-6-15)20(2)3/h4-13H,1-3H3/b11-7+
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n/an/a 3.44E+3n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of amyloid beta42 fibril formation by thioflavin T formation


Bioorg Med Chem Lett 18: 5591-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.111
BindingDB Entry DOI: 10.7270/Q20K29G7
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50263931
PNG
(2-(4-(dimethylamino)styryl)benzofuran-6-ol | CHEMB...)
Show SMILES CN(C)c1ccc(\C=C\c2cc3ccc(O)cc3o2)cc1
Show InChI InChI=1S/C18H17NO2/c1-19(2)15-7-3-13(4-8-15)5-10-17-11-14-6-9-16(20)12-18(14)21-17/h3-12,20H,1-2H3/b10-5+
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n/an/a 3.62E+3n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of amyloid beta42 fibril formation by thioflavin T formation


Bioorg Med Chem Lett 18: 5591-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.111
BindingDB Entry DOI: 10.7270/Q20K29G7
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50264000
PNG
(4-(2-(6-methoxybenzofuran-2-yl)vinyl)benzenamine |...)
Show SMILES COc1ccc2cc(\C=C\c3ccc(N)cc3)oc2c1
Show InChI InChI=1S/C17H15NO2/c1-19-15-9-5-13-10-16(20-17(13)11-15)8-4-12-2-6-14(18)7-3-12/h2-11H,18H2,1H3/b8-4+
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n/an/a 5.44E+3n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of amyloid beta42 fibril formation by thioflavin T formation


Bioorg Med Chem Lett 18: 5591-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.111
BindingDB Entry DOI: 10.7270/Q20K29G7
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50204084
PNG
(5-((E)-2-{4-[(E)-2-(3-carboxy-4-hydroxyphenyl)viny...)
Show SMILES OC(=O)c1cc(\C=C\c2ccc(\C=C\c3ccc(O)c(c3)C(O)=O)c(I)c2)ccc1O
Show InChI InChI=1S/C24H17IO6/c25-20-13-16(2-1-14-5-9-21(26)18(11-14)23(28)29)4-8-17(20)7-3-15-6-10-22(27)19(12-15)24(30)31/h1-13,26-27H,(H,28,29)(H,30,31)/b2-1+,7-3+
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n/an/a 8.00E+3n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of amyloid beta42 fibril formation by thioflavin T formation


Bioorg Med Chem Lett 18: 5591-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.111
BindingDB Entry DOI: 10.7270/Q20K29G7
More data for this
Ligand-Target Pair