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Compile Data Set for Download or QSAR

Found 60 hits with Last Name = 'lee' and Initial = 'wk'   
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))
BDBM50477454
PNG
(CHEMBL245688)
Show SMILES COc1cc(\C=C\c2cc(Br)cc(\C=C\c3ccc(O)c(OC)c3)c2)ccc1O
Show InChI InChI=1S/C24H21BrO4/c1-28-23-14-16(7-9-21(23)26)3-5-18-11-19(13-20(25)12-18)6-4-17-8-10-22(27)24(15-17)29-2/h3-15,26-27H,1-2H3/b5-3+,6-4+
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n/an/a 100n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of amyloid beta 42 fibril formation by thioflavin T assay


Bioorg Med Chem Lett 17: 1466-70 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.090
BindingDB Entry DOI: 10.7270/Q2PV6P4S
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))
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))
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))
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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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))
BDBM50477429
PNG
(CHEMBL248132)
Show SMILES COc1ccc(\C=C\c2cccc(\C=C\c3ccc(OC)c(N)c3)c2)cc1N
Show InChI InChI=1S/C24H24N2O2/c1-27-23-12-10-19(15-21(23)25)8-6-17-4-3-5-18(14-17)7-9-20-11-13-24(28-2)22(26)16-20/h3-16H,25-26H2,1-2H3/b8-6+,9-7+
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n/an/a 300n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of amyloid beta 42 fibril formation by thioflavin T assay


Bioorg Med Chem Lett 17: 1466-70 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.090
BindingDB Entry DOI: 10.7270/Q2PV6P4S
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))
BDBM50477447
PNG
(CHEMBL248327)
Show SMILES CNc1cc(\C=C\c2cccc(\C=C\c3ccc(O)c(NC)c3)n2)ccc1O
Show InChI InChI=1S/C23H23N3O2/c1-24-20-14-16(8-12-22(20)27)6-10-18-4-3-5-19(26-18)11-7-17-9-13-23(28)21(15-17)25-2/h3-15,24-25,27-28H,1-2H3/b10-6+,11-7+
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n/an/a 500n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of amyloid beta 42 fibril formation by thioflavin T assay


Bioorg Med Chem Lett 17: 1466-70 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.090
BindingDB Entry DOI: 10.7270/Q2PV6P4S
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50477441
PNG
(CHEMBL247674)
Show SMILES CNc1ccc(\C=C\c2cccc(\C=C\c3ccc(NC)c(OC)c3)n2)cc1OC
Show InChI InChI=1S/C25H27N3O2/c1-26-22-14-10-18(16-24(22)29-3)8-12-20-6-5-7-21(28-20)13-9-19-11-15-23(27-2)25(17-19)30-4/h5-17,26-27H,1-4H3/b12-8+,13-9+
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n/an/a 500n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of amyloid beta 42 fibril formation by thioflavin T assay


Bioorg Med Chem Lett 17: 1466-70 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.090
BindingDB Entry DOI: 10.7270/Q2PV6P4S
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))
BDBM50105462
PNG
(CHEMBL81880 | N,N,N',N'-Tetramethyl-acridine-3,6-d...)
Show SMILES CN(C)c1ccc2cc3ccc(cc3nc2c1)N(C)C
Show InChI InChI=1S/C17H19N3/c1-19(2)14-7-5-12-9-13-6-8-15(20(3)4)11-17(13)18-16(12)10-14/h5-11H,1-4H3
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n/an/a 600n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of amyloid beta 42 fibril formation by thioflavin T assay


Bioorg Med Chem Lett 17: 1466-70 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.090
BindingDB Entry DOI: 10.7270/Q2PV6P4S
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50477456
PNG
(CHEMBL392878)
Show SMILES COc1ccc(\C=C\c2cccc(\C=C\c3ccc(OC)c(N)c3)n2)cc1N
Show InChI InChI=1S/C23H23N3O2/c1-27-22-12-8-16(14-20(22)24)6-10-18-4-3-5-19(26-18)11-7-17-9-13-23(28-2)21(25)15-17/h3-15H,24-25H2,1-2H3/b10-6+,11-7+
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n/an/a 600n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of amyloid beta 42 fibril formation by thioflavin T assay


Bioorg Med Chem Lett 17: 1466-70 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.090
BindingDB Entry DOI: 10.7270/Q2PV6P4S
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50477437
PNG
(CHEMBL247930)
Show SMILES COc1cc(\C=C\c2cccc(\C=C\c3ccc(N)c(OC)c3)c2)ccc1N
Show InChI InChI=1S/C24H24N2O2/c1-27-23-15-19(10-12-21(23)25)8-6-17-4-3-5-18(14-17)7-9-20-11-13-22(26)24(16-20)28-2/h3-16H,25-26H2,1-2H3/b8-6+,9-7+
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n/an/a 600n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of amyloid beta 42 fibril formation by thioflavin T assay


Bioorg Med Chem Lett 17: 1466-70 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.090
BindingDB Entry DOI: 10.7270/Q2PV6P4S
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50477434
PNG
(CHEMBL247931)
Show SMILES CNc1ccc(\C=C\c2cccc(\C=C\c3ccc(NC)c(OC)c3)c2)cc1OC
Show InChI InChI=1S/C26H28N2O2/c1-27-23-14-12-21(17-25(23)29-3)10-8-19-6-5-7-20(16-19)9-11-22-13-15-24(28-2)26(18-22)30-4/h5-18,27-28H,1-4H3/b10-8+,11-9+
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Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of amyloid beta 42 fibril formation by thioflavin T assay


Bioorg Med Chem Lett 17: 1466-70 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.090
BindingDB Entry DOI: 10.7270/Q2PV6P4S
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50477428
PNG
(CHEMBL248131)
Show SMILES CN(C)c1ccc(\C=C\c2cccc(\C=C\c3ccc(N(C)C)c(O)c3)c2)cc1O
Show InChI InChI=1S/C26H28N2O2/c1-27(2)23-14-12-21(17-25(23)29)10-8-19-6-5-7-20(16-19)9-11-22-13-15-24(28(3)4)26(30)18-22/h5-18,29-30H,1-4H3/b10-8+,11-9+
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n/an/a 700n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of amyloid beta 42 fibril formation by thioflavin T assay


Bioorg Med Chem Lett 17: 1466-70 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.090
BindingDB Entry DOI: 10.7270/Q2PV6P4S
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50477439
PNG
(CHEMBL247524)
Show SMILES COc1cc(\C=C\c2cccc(\C=C\c3ccc(N)c(OC)c3)n2)ccc1N
Show InChI InChI=1S/C23H23N3O2/c1-27-22-14-16(8-12-20(22)24)6-10-18-4-3-5-19(26-18)11-7-17-9-13-21(25)23(15-17)28-2/h3-15H,24-25H2,1-2H3/b10-6+,11-7+
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n/an/a 700n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of amyloid beta 42 fibril formation by thioflavin T assay


Bioorg Med Chem Lett 17: 1466-70 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.090
BindingDB Entry DOI: 10.7270/Q2PV6P4S
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))
BDBM50477435
PNG
(CHEMBL247328)
Show SMILES COc1cc(\C=C\c2cccc(\C=C\c3ccc(O)c(OC)c3)n2)ccc1O
Show InChI InChI=1S/C23H21NO4/c1-27-22-14-16(8-12-20(22)25)6-10-18-4-3-5-19(24-18)11-7-17-9-13-21(26)23(15-17)28-2/h3-15,25-26H,1-2H3/b10-6+,11-7+
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n/an/a 800n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of amyloid beta 42 fibril formation by thioflavin T assay


Bioorg Med Chem Lett 17: 1466-70 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.090
BindingDB Entry DOI: 10.7270/Q2PV6P4S
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50477426
PNG
(CHEMBL391205)
Show SMILES COc1cc(\C=C\c2cccc(\C=C\c3ccc(N(C)C)c(OC)c3)n2)ccc1N(C)C
Show InChI InChI=1S/C27H31N3O2/c1-29(2)24-16-12-20(18-26(24)31-5)10-14-22-8-7-9-23(28-22)15-11-21-13-17-25(30(3)4)27(19-21)32-6/h7-19H,1-6H3/b14-10+,15-11+
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n/an/a 800n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of amyloid beta 42 fibril formation by thioflavin T assay


Bioorg Med Chem Lett 17: 1466-70 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.090
BindingDB Entry DOI: 10.7270/Q2PV6P4S
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



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of amyloid beta 42 fibril formation by thioflavin T assay


Bioorg Med Chem Lett 17: 1466-70 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.090
BindingDB Entry DOI: 10.7270/Q2PV6P4S
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))
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))
BDBM50477450
PNG
(CHEMBL247725)
Show SMILES CNc1ccc(\C=C\c2cccc(\C=C\c3ccc(NC)c(O)c3)n2)cc1O
Show InChI InChI=1S/C23H23N3O2/c1-24-20-12-8-16(14-22(20)27)6-10-18-4-3-5-19(26-18)11-7-17-9-13-21(25-2)23(28)15-17/h3-15,24-25,27-28H,1-2H3/b10-6+,11-7+
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n/an/a 900n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of amyloid beta 42 fibril formation by thioflavin T assay


Bioorg Med Chem Lett 17: 1466-70 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.090
BindingDB Entry DOI: 10.7270/Q2PV6P4S
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50477446
PNG
(CHEMBL394713)
Show SMILES COc1ccc(\C=C\c2cccc(\C=C\c3ccc(OC)c(c3)N(C)C)n2)cc1N(C)C
Show InChI InChI=1S/C27H31N3O2/c1-29(2)24-18-20(12-16-26(24)31-5)10-14-22-8-7-9-23(28-22)15-11-21-13-17-27(32-6)25(19-21)30(3)4/h7-19H,1-6H3/b14-10+,15-11+
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n/an/a 900n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of amyloid beta 42 fibril formation by thioflavin T assay


Bioorg Med Chem Lett 17: 1466-70 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.090
BindingDB Entry DOI: 10.7270/Q2PV6P4S
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50477444
PNG
(CHEMBL247927)
Show SMILES CN(C)c1ccc(\C=C\c2cccc(\C=C\c3ccc(N(C)C)c(O)c3)n2)cc1O
Show InChI InChI=1S/C25H27N3O2/c1-27(2)22-14-10-18(16-24(22)29)8-12-20-6-5-7-21(26-20)13-9-19-11-15-23(28(3)4)25(30)17-19/h5-17,29-30H,1-4H3/b12-8+,13-9+
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n/an/a 900n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of amyloid beta 42 fibril formation by thioflavin T assay


Bioorg Med Chem Lett 17: 1466-70 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.090
BindingDB Entry DOI: 10.7270/Q2PV6P4S
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50477448
PNG
(CHEMBL247932)
Show SMILES COc1cc(\C=C\c2cccc(\C=C\c3ccc(N(C)C)c(OC)c3)c2)ccc1N(C)C
Show InChI InChI=1S/C28H32N2O2/c1-29(2)25-16-14-23(19-27(25)31-5)12-10-21-8-7-9-22(18-21)11-13-24-15-17-26(30(3)4)28(20-24)32-6/h7-20H,1-6H3/b12-10+,13-11+
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n/an/a 1.00E+3n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of amyloid beta 42 fibril formation by thioflavin T assay


Bioorg Med Chem Lett 17: 1466-70 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.090
BindingDB Entry DOI: 10.7270/Q2PV6P4S
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50477438
PNG
(CHEMBL248122)
Show SMILES CNc1cc(\C=C\c2cccc(\C=C\c3ccc(OC)c(NC)c3)n2)ccc1OC
Show InChI InChI=1S/C25H27N3O2/c1-26-22-16-18(10-14-24(22)29-3)8-12-20-6-5-7-21(28-20)13-9-19-11-15-25(30-4)23(17-19)27-2/h5-17,26-27H,1-4H3/b12-8+,13-9+
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n/an/a 1.10E+3n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of amyloid beta 42 fibril formation by thioflavin T assay


Bioorg Med Chem Lett 17: 1466-70 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.090
BindingDB Entry DOI: 10.7270/Q2PV6P4S
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50477455
PNG
(CHEMBL247929)
Show SMILES COc1cc(\C=C\c2cc(Br)cc(\C=C\c3ccc(N)c(OC)c3)n2)ccc1N
Show InChI InChI=1S/C23H22BrN3O2/c1-28-22-11-15(5-9-20(22)25)3-7-18-13-17(24)14-19(27-18)8-4-16-6-10-21(26)23(12-16)29-2/h3-14H,25-26H2,1-2H3/b7-3+,8-4+
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n/an/a 1.10E+3n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of amyloid beta 42 fibril formation by thioflavin T assay


Bioorg Med Chem Lett 17: 1466-70 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.090
BindingDB Entry DOI: 10.7270/Q2PV6P4S
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50477436
PNG
(CHEMBL247530)
Show SMILES COc1cc(\C=C\c2cc(Cl)cc(\C=C\c3ccc(O)c(OC)c3)n2)ccc1O
Show InChI InChI=1S/C23H20ClNO4/c1-28-22-11-15(5-9-20(22)26)3-7-18-13-17(24)14-19(25-18)8-4-16-6-10-21(27)23(12-16)29-2/h3-14,26-27H,1-2H3/b7-3+,8-4+
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n/an/a 1.10E+3n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of amyloid beta 42 fibril formation by thioflavin T assay


Bioorg Med Chem Lett 17: 1466-70 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.090
BindingDB Entry DOI: 10.7270/Q2PV6P4S
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50477431
PNG
(CHEMBL427878)
Show SMILES COc1cc(\C=C\c2cc(Br)cc(\C=C\c3ccc(O)c(OC)c3)n2)ccc1O
Show InChI InChI=1S/C23H20BrNO4/c1-28-22-11-15(5-9-20(22)26)3-7-18-13-17(24)14-19(25-18)8-4-16-6-10-21(27)23(12-16)29-2/h3-14,26-27H,1-2H3/b7-3+,8-4+
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n/an/a 1.10E+3n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of amyloid beta 42 fibril formation by thioflavin T assay


Bioorg Med Chem Lett 17: 1466-70 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.090
BindingDB Entry DOI: 10.7270/Q2PV6P4S
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50477453
PNG
(CHEMBL248337)
Show SMILES COc1ccc(\C=C\c2cccc(\C=C\c3ccc(OC)c(c3)N(C)C)c2)cc1N(C)C
Show InChI InChI=1S/C28H32N2O2/c1-29(2)25-19-23(14-16-27(25)31-5)12-10-21-8-7-9-22(18-21)11-13-24-15-17-28(32-6)26(20-24)30(3)4/h7-20H,1-6H3/b12-10+,13-11+
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n/an/a 1.10E+3n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of amyloid beta 42 fibril formation by thioflavin T assay


Bioorg Med Chem Lett 17: 1466-70 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.090
BindingDB Entry DOI: 10.7270/Q2PV6P4S
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50477433
PNG
(CHEMBL248133)
Show SMILES CNc1cc(\C=C\c2cccc(\C=C\c3ccc(OC)c(NC)c3)c2)ccc1OC
Show InChI InChI=1S/C26H28N2O2/c1-27-23-17-21(12-14-25(23)29-3)10-8-19-6-5-7-20(16-19)9-11-22-13-15-26(30-4)24(18-22)28-2/h5-18,27-28H,1-4H3/b10-8+,11-9+
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n/an/a 1.30E+3n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of amyloid beta 42 fibril formation by thioflavin T assay


Bioorg Med Chem Lett 17: 1466-70 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.090
BindingDB Entry DOI: 10.7270/Q2PV6P4S
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))
BDBM50477451
PNG
(CHEMBL247727)
Show SMILES COc1cc(\C=C\c2cc(C)cc(\C=C\c3ccc(O)c(OC)c3)n2)ccc1O
Show InChI InChI=1S/C24H23NO4/c1-16-12-19(8-4-17-6-10-21(26)23(14-17)28-2)25-20(13-16)9-5-18-7-11-22(27)24(15-18)29-3/h4-15,26-27H,1-3H3/b8-4+,9-5+
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n/an/a 1.40E+3n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of amyloid beta 42 fibril formation by thioflavin T assay


Bioorg Med Chem Lett 17: 1466-70 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.090
BindingDB Entry DOI: 10.7270/Q2PV6P4S
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50477445
PNG
(CHEMBL247726)
Show SMILES COc1cc(\C=C\c2ccc(O)c(OC)c2)nc(\C=C\c2ccc(O)c(OC)c2)c1
Show InChI InChI=1S/C24H23NO5/c1-28-20-14-18(8-4-16-6-10-21(26)23(12-16)29-2)25-19(15-20)9-5-17-7-11-22(27)24(13-17)30-3/h4-15,26-27H,1-3H3/b8-4+,9-5+
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n/an/a 1.70E+3n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of amyloid beta 42 fibril formation by thioflavin T assay


Bioorg Med Chem Lett 17: 1466-70 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.090
BindingDB Entry DOI: 10.7270/Q2PV6P4S
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50477452
PNG
(CHEMBL396917)
Show SMILES COc1cc(\C=C\c2cc(Br)cc(\C=C\c3ccc(N)c(OC)c3)c2)ccc1N
Show InChI InChI=1S/C24H23BrN2O2/c1-28-23-14-16(7-9-21(23)26)3-5-18-11-19(13-20(25)12-18)6-4-17-8-10-22(27)24(15-17)29-2/h3-15H,26-27H2,1-2H3/b5-3+,6-4+
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n/an/a 1.80E+3n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of amyloid beta 42 fibril formation by thioflavin T assay


Bioorg Med Chem Lett 17: 1466-70 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.090
BindingDB Entry DOI: 10.7270/Q2PV6P4S
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50477432
PNG
(CHEMBL247728)
Show SMILES COc1cc(\C=C\c2cc(cc(\C=C\c3ccc(O)c(OC)c3)n2)N(C)C)ccc1O
Show InChI InChI=1S/C25H26N2O4/c1-27(2)21-15-19(9-5-17-7-11-22(28)24(13-17)30-3)26-20(16-21)10-6-18-8-12-23(29)25(14-18)31-4/h5-16,28-29H,1-4H3/b9-5+,10-6+
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n/an/a 1.90E+3n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of amyloid beta 42 fibril formation by thioflavin T assay


Bioorg Med Chem Lett 17: 1466-70 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.090
BindingDB Entry DOI: 10.7270/Q2PV6P4S
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))
BDBM50477443
PNG
(CHEMBL427877)
Show SMILES CN(C)c1cc(\C=C\c2cccc(\C=C\c3ccc(O)c(c3)N(C)C)n2)ccc1O
Show InChI InChI=1S/C25H27N3O2/c1-27(2)22-16-18(10-14-24(22)29)8-12-20-6-5-7-21(26-20)13-9-19-11-15-25(30)23(17-19)28(3)4/h5-17,29-30H,1-4H3/b12-8+,13-9+
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n/an/a 2.30E+3n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of amyloid beta 42 fibril formation by thioflavin T assay


Bioorg Med Chem Lett 17: 1466-70 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.090
BindingDB Entry DOI: 10.7270/Q2PV6P4S
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))
BDBM50477425
PNG
(CHEMBL248338)
Show SMILES CN(C)c1cc(\C=C\c2cccc(\C=C\c3ccc(O)c(c3)N(C)C)c2)ccc1O
Show InChI InChI=1S/C26H28N2O2/c1-27(2)23-17-21(12-14-25(23)29)10-8-19-6-5-7-20(16-19)9-11-22-13-15-26(30)24(18-22)28(3)4/h5-18,29-30H,1-4H3/b10-8+,11-9+
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n/an/a 2.70E+3n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of amyloid beta 42 fibril formation by thioflavin T assay


Bioorg Med Chem Lett 17: 1466-70 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.090
BindingDB Entry DOI: 10.7270/Q2PV6P4S
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
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