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Compile Data Set for Download or QSAR

Found 1738 hits Enz. Inhib. hit(s) with Target = 'Beta amyloid A4 protein'   
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
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50195684
PNG
(1-[4-(3-fluoropropoxy)-3-methoxyphenyl]-5-hydroxy-...)
Show SMILES COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(OCCCF)c(OC)c2)ccc1O
Show InChI InChI=1S/C24H25FO6/c1-29-23-14-17(6-10-21(23)28)4-8-19(26)16-20(27)9-5-18-7-11-22(24(15-18)30-2)31-13-3-12-25/h4-11,14-15,28H,3,12-13,16H2,1-2H3/b8-4+,9-5+
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0.0700n/an/an/an/an/an/an/an/a



Sungkyunkwan University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [125I]IMSB from beta amyloid protein 40


J Med Chem 49: 6111-9 (2006)


Article DOI: 10.1021/jm0607193
BindingDB Entry DOI: 10.7270/Q2J38TB2
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50101410
PNG
((trans,trans)-1-bromo-2,5-bis-(3-hydroxycarbonyl-4...)
Show SMILES OC(=O)c1cc(\C=C\c2ccc(\C=C\c3ccc(O)c(c3)C(O)=O)c(Br)c2)ccc1O
Show InChI InChI=1S/C24H17BrO6/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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0.110n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibitory activity against binding of [125I]-IMSB to amyloid beta in brain


J Med Chem 44: 2270-5 (2001)


Article DOI: 10.1021/jm010161t
BindingDB Entry DOI: 10.7270/Q22J6B4Z
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50101411
PNG
(5-[2-bromo-4-(3-carboxy-4-hydroxyphenethyl)pheneth...)
Show SMILES OC(=O)c1cc(\C=C/c2ccc(\C=C/c3ccc(O)c(c3)C(O)=O)c(Br)c2)ccc1O
Show InChI InChI=1S/C24H17BrO6/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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0.130n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibitory activity against binding of [125I]-IMSB to amyloid beta in brain


J Med Chem 44: 2270-5 (2001)


Article DOI: 10.1021/jm010161t
BindingDB Entry DOI: 10.7270/Q22J6B4Z
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50100131
PNG
(5-(Biphenyl-4-ylazo)-bis (2-hydroxy-benzoic acid)(...)
Show SMILES OC(=O)c1cc(ccc1O)N=Nc1ccc(cc1)-c1ccc(cc1)N=Nc1ccc(O)c(c1)C(O)=O
Show InChI InChI=1S/C26H18N4O6/c31-23-11-9-19(13-21(23)25(33)34)29-27-17-5-1-15(2-6-17)16-3-7-18(8-4-16)28-30-20-10-12-24(32)22(14-20)26(35)36/h1-14,31-32H,(H,33,34)(H,35,36)/b29-27+,30-28+
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0.140n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibitory activity against binding of [125I]-IMSB to amyloid beta in brain


J Med Chem 44: 2270-5 (2001)


Article DOI: 10.1021/jm010161t
BindingDB Entry DOI: 10.7270/Q22J6B4Z
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50100131
PNG
(5-(Biphenyl-4-ylazo)-bis (2-hydroxy-benzoic acid)(...)
Show SMILES OC(=O)c1cc(ccc1O)N=Nc1ccc(cc1)-c1ccc(cc1)N=Nc1ccc(O)c(c1)C(O)=O
Show InChI InChI=1S/C26H18N4O6/c31-23-11-9-19(13-21(23)25(33)34)29-27-17-5-1-15(2-6-17)16-3-7-18(8-4-16)28-30-20-10-12-24(32)22(14-20)26(35)36/h1-14,31-32H,(H,33,34)(H,35,36)/b29-27+,30-28+
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0.140n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition constant for aggregates of amyloid beta compared to [125I]-IMSB


J Med Chem 44: 1905-14 (2001)


Article DOI: 10.1021/jm010045q
BindingDB Entry DOI: 10.7270/Q2V69HV8
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50100131
PNG
(5-(Biphenyl-4-ylazo)-bis (2-hydroxy-benzoic acid)(...)
Show SMILES OC(=O)c1cc(ccc1O)N=Nc1ccc(cc1)-c1ccc(cc1)N=Nc1ccc(O)c(c1)C(O)=O
Show InChI InChI=1S/C26H18N4O6/c31-23-11-9-19(13-21(23)25(33)34)29-27-17-5-1-15(2-6-17)16-3-7-18(8-4-16)28-30-20-10-12-24(32)22(14-20)26(35)36/h1-14,31-32H,(H,33,34)(H,35,36)/b29-27+,30-28+
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0.160n/an/an/an/an/an/an/an/a



Sungkyunkwan University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [125I]IMSB from beta amyloid protein 40


J Med Chem 49: 6111-9 (2006)


Article DOI: 10.1021/jm0607193
BindingDB Entry DOI: 10.7270/Q2J38TB2
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50100135
PNG
((E,E)-1-iodo-2,5-bis-(3-hydroxycarbonyl-4-methoxy)...)
Show SMILES COc1ccc(\C=C\c2ccc(\C=C\c3ccc(OC)c(c3)C(O)=O)c(I)c2)cc1C(O)=O
Show InChI InChI=1S/C26H21IO6/c1-32-23-11-7-16(13-20(23)25(28)29)3-4-18-6-10-19(22(27)15-18)9-5-17-8-12-24(33-2)21(14-17)26(30)31/h3-15H,1-2H3,(H,28,29)(H,30,31)/b4-3+,9-5+
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0.170n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition constant for aggregates of amyloid beta compared to [125I]-IMSB


J Med Chem 44: 1905-14 (2001)


Article DOI: 10.1021/jm010045q
BindingDB Entry DOI: 10.7270/Q2V69HV8
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50101413
PNG
(5-[2-bromo-4-(3-carboxy-4-hydroxyphenethyl)pheneth...)
Show SMILES OC(=O)c1cc(\C=C\c2ccc(\C=C/c3ccc(O)c(c3)C(O)=O)c(Br)c2)ccc1O
Show InChI InChI=1S/C24H17BrO6/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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0.190n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibitory activity against binding of [125I]-IMSB to amyloid beta in brain


J Med Chem 44: 2270-5 (2001)


Article DOI: 10.1021/jm010161t
BindingDB Entry DOI: 10.7270/Q22J6B4Z
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50483880
PNG
(CHEMBL1774642)
Show SMILES CNc1ccc(cc1)-c1nc2ccc(F)cc2s1
Show InChI InChI=1S/C14H11FN2S/c1-16-11-5-2-9(3-6-11)14-17-12-7-4-10(15)8-13(12)18-14/h2-8,16H,1H3
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0.200n/an/an/an/an/an/an/an/a



Seoul National University Bundang Hospital

Curated by ChEMBL


Assay Description
Displacement of [3H]PIB from amyloid beta (1 to 42) aggregates in Alzheimer's disease-human brain homogenate after 3 hrs by gamma counting


Bioorg Med Chem 19: 2980-90 (2011)

More data for this
Ligand-Target Pair
Beta amyloid A4 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
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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0.208n/an/an/an/an/an/an/an/a



Sungkyunkwan University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [125I]IMSB from beta amyloid protein 40


J Med Chem 49: 6111-9 (2006)


Article DOI: 10.1021/jm0607193
BindingDB Entry DOI: 10.7270/Q2J38TB2
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50101412
PNG
(5-[2-bromo-4-(3-carboxy-4-hydroxyphenethyl)pheneth...)
Show SMILES OC(=O)c1cc(\C=C/c2ccc(\C=C\c3ccc(O)c(c3)C(O)=O)c(Br)c2)ccc1O
Show InChI InChI=1S/C24H17BrO6/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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0.270n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibitory activity against binding of [125I]-IMSB to amyloid beta in brain


J Med Chem 44: 2270-5 (2001)


Article DOI: 10.1021/jm010161t
BindingDB Entry DOI: 10.7270/Q22J6B4Z
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50483881
PNG
(CHEMBL1774643)
Show SMILES CN(C)c1ccc(cc1)-c1nc2ccc(F)cc2s1
Show InChI InChI=1S/C15H13FN2S/c1-18(2)12-6-3-10(4-7-12)15-17-13-8-5-11(16)9-14(13)19-15/h3-9H,1-2H3
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0.300n/an/an/an/an/an/an/an/a



Seoul National University Bundang Hospital

Curated by ChEMBL


Assay Description
Displacement of [3H]PIB from amyloid beta (1 to 42) aggregates in Alzheimer's disease-human brain homogenate after 3 hrs by gamma counting


Bioorg Med Chem 19: 2980-90 (2011)

More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50100131
PNG
(5-(Biphenyl-4-ylazo)-bis (2-hydroxy-benzoic acid)(...)
Show SMILES OC(=O)c1cc(ccc1O)N=Nc1ccc(cc1)-c1ccc(cc1)N=Nc1ccc(O)c(c1)C(O)=O
Show InChI InChI=1S/C26H18N4O6/c31-23-11-9-19(13-21(23)25(33)34)29-27-17-5-1-15(2-6-17)16-3-7-18(8-4-16)28-30-20-10-12-24(32)22(14-20)26(35)36/h1-14,31-32H,(H,33,34)(H,35,36)/b29-27+,30-28+
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0.400n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition constant of compound on ligand binding to aggregates of Amyloid beta was measured by comparing with [125I]-IMSB


J Med Chem 44: 1905-14 (2001)


Article DOI: 10.1021/jm010045q
BindingDB Entry DOI: 10.7270/Q2V69HV8
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50481120
PNG
(FLUTEMETAMOL | Flutemetamol | [3H]-Flutemetamol)
Show SMILES CNc1ccc(cc1F)-c1nc2ccc(O)cc2s1
Show InChI InChI=1S/C14H11FN2OS/c1-16-11-4-2-8(6-10(11)15)14-17-12-5-3-9(18)7-13(12)19-14/h2-7,16,18H,1H3
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0.700n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Binding affinity to human amyloid beta plaque


ACS Med Chem Lett 3: 265-7 (2012)

More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50185948
PNG
(5-hydroxy-2-(4-methylaminophenyl)benzofuran | CHEM...)
Show SMILES CNc1ccc(cc1)-c1cc2cc(O)ccc2o1
Show InChI InChI=1S/C15H13NO2/c1-16-12-4-2-10(3-5-12)15-9-11-8-13(17)6-7-14(11)18-15/h2-9,16-17H,1H3
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0.700n/an/an/an/an/an/an/an/a



Nagasaki University

Curated by ChEMBL


Assay Description
Displacement of [125I]IMPY from beta amyloid in human corpse AD brain


J Med Chem 49: 2725-30 (2006)


Article DOI: 10.1021/jm051176k
BindingDB Entry DOI: 10.7270/Q23B5ZRB
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50481120
PNG
(FLUTEMETAMOL | Flutemetamol | [3H]-Flutemetamol)
Show SMILES CNc1ccc(cc1F)-c1nc2ccc(O)cc2s1
Show InChI InChI=1S/C14H11FN2OS/c1-16-11-4-2-8(6-10(11)15)14-17-12-5-3-9(18)7-13(12)19-14/h2-7,16,18H,1H3
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0.740n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Displacement of [18F]-amyvid from amyloid-beta aggregates in alzheimer's disease patient brain homogenates after 1 hr


J Med Chem 54: 8085-98 (2011)

More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50481120
PNG
(FLUTEMETAMOL | Flutemetamol | [3H]-Flutemetamol)
Show SMILES CNc1ccc(cc1F)-c1nc2ccc(O)cc2s1
Show InChI InChI=1S/C14H11FN2OS/c1-16-11-4-2-8(6-10(11)15)14-17-12-5-3-9(18)7-13(12)19-14/h2-7,16,18H,1H3
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0.740n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Binding affinity to Beta amyloid aggregates in Alzheimer's disease patient brain by competitive binding assay


J Med Chem 53: 933-41 (2010)

More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(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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0.800n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Binding affinity to human amyloid beta plaque


ACS Med Chem Lett 3: 265-7 (2012)

More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50100133
PNG
(CHEMBL55401 | [4-(6-Bromo-benzothiazol-2-yl)-pheny...)
Show SMILES CN(C)c1ccc(cc1)-c1nc2ccc(Br)cc2s1
Show InChI InChI=1S/C15H13BrN2S/c1-18(2)12-6-3-10(4-7-12)15-17-13-8-5-11(16)9-14(13)19-15/h3-9H,1-2H3
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0.800n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition constant for amyloid beta compared to [125I]-TZDM


J Med Chem 44: 1905-14 (2001)


Article DOI: 10.1021/jm010045q
BindingDB Entry DOI: 10.7270/Q2V69HV8
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50100135
PNG
((E,E)-1-iodo-2,5-bis-(3-hydroxycarbonyl-4-methoxy)...)
Show SMILES COc1ccc(\C=C\c2ccc(\C=C\c3ccc(OC)c(c3)C(O)=O)c(I)c2)cc1C(O)=O
Show InChI InChI=1S/C26H21IO6/c1-32-23-11-7-16(13-20(23)25(28)29)3-4-18-6-10-19(22(27)15-18)9-5-17-8-12-24(33-2)21(14-17)26(30)31/h3-15H,1-2H3,(H,28,29)(H,30,31)/b4-3+,9-5+
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0.800n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition constant for aggregates of amyloid beta compared to [125I]-IMSB


J Med Chem 44: 1905-14 (2001)


Article DOI: 10.1021/jm010045q
BindingDB Entry DOI: 10.7270/Q2V69HV8
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(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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0.870n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Binding affinity to Beta amyloid aggregates in Alzheimer's disease patient brain by competitive binding assay


J Med Chem 53: 933-41 (2010)

More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(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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0.870n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Displacement of [18F]-amyvid from amyloid-beta aggregates in alzheimer's disease patient brain homogenates after 1 hr


J Med Chem 54: 8085-98 (2011)

More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50492522
PNG
(CHEMBL2407622)
Show SMILES CN(C)c1ccc(cc1)-c1cnc2cc(OCC[18F])ccc2n1
Show InChI InChI=1S/C18H18FN3O/c1-22(2)14-5-3-13(4-6-14)18-12-20-17-11-15(23-10-9-19)7-8-16(17)21-18/h3-8,11-12H,9-10H2,1-2H3/i19-1
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0.895n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Binding affinity to beta-amyloid plaque in Alzheimer's disease patient brain cortex after 1 hr by thioflavin-S based autoradiography


ACS Med Chem Lett 4: 596-600 (2013)

More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50492526
PNG
(CHEMBL2407616)
Show SMILES CN(C)c1ccc(cc1)-c1cnc2cc(OCCF)ccc2n1
Show InChI InChI=1S/C18H18FN3O/c1-22(2)14-5-3-13(4-6-14)18-12-20-17-11-15(23-10-9-19)7-8-16(17)21-18/h3-8,11-12H,9-10H2,1-2H3
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0.895n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Displacement of [125I]IMPY from amyloid beta (1 to 42) (unknown origin) after 3 hrs by gamma counting


ACS Med Chem Lett 4: 596-600 (2013)

More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50100130
PNG
(4-(6-Iodobenzo[d]thiazol-2-yl)-N,N-dimethylaniline...)
Show SMILES CN(C)c1ccc(cc1)-c1nc2ccc(I)cc2s1
Show InChI InChI=1S/C15H13IN2S/c1-18(2)12-6-3-10(4-7-12)15-17-13-8-5-11(16)9-14(13)19-15/h3-9H,1-2H3
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0.900n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition constant against [125I]-7 (TZDM) binding to Amyloid beta 1-40 aggregates


J Med Chem 46: 237-43 (2003)


Article DOI: 10.1021/jm020351j
BindingDB Entry DOI: 10.7270/Q2WH2PBC
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50100130
PNG
(4-(6-Iodobenzo[d]thiazol-2-yl)-N,N-dimethylaniline...)
Show SMILES CN(C)c1ccc(cc1)-c1nc2ccc(I)cc2s1
Show InChI InChI=1S/C15H13IN2S/c1-18(2)12-6-3-10(4-7-12)15-17-13-8-5-11(16)9-14(13)19-15/h3-9H,1-2H3
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0.900n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition constant for amyloid beta compared to [125I]-TZDM


J Med Chem 44: 1905-14 (2001)


Article DOI: 10.1021/jm010045q
BindingDB Entry DOI: 10.7270/Q2V69HV8
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50481609
PNG
(CHEMBL610504)
Show SMILES CN1C(=O)c2ccc(Nc3ccc(I)cc3)cc2C1=O
Show InChI InChI=1S/C15H11IN2O2/c1-18-14(19)12-7-6-11(8-13(12)15(18)20)17-10-4-2-9(16)3-5-10/h2-8,17H,1H3
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0.900n/an/an/an/an/an/an/an/a



Beijing Normal University

Curated by ChEMBL


Assay Description
Displacement of [125I-N-Methyl-4-(4-bromoanilino)phthalimide from beta-amyloid plaques isolated from Alzheimer's disease patient brain


Bioorg Med Chem 18: 1337-43 (2010)

More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50173640
PNG
(4-[(E)-2-(4-Dimethylamino-phenyl)-vinyl]-phenol | ...)
Show SMILES CN(C)c1ccc(\C=C\c2ccc(O)cc2)cc1
Show InChI InChI=1S/C16H17NO/c1-17(2)15-9-5-13(6-10-15)3-4-14-7-11-16(18)12-8-14/h3-12,18H,1-2H3/b4-3+
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1.10n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition constant for I-125-IMPY binding to amyloid plaques in Alzheimers disease brain homogenates


J Med Chem 48: 5980-8 (2005)


Article DOI: 10.1021/jm050166g
BindingDB Entry DOI: 10.7270/Q2TB17PR
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50476303
PNG
(CHEMBL227521)
Show SMILES CNc1ccc(cc1)C#Cc1ccc(OCCOCCF)cc1
Show InChI InChI=1S/C19H20FNO2/c1-21-18-8-4-16(5-9-18)2-3-17-6-10-19(11-7-17)23-15-14-22-13-12-20/h4-11,21H,12-15H2,1H3
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1.20n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Displacement of [125I]IMPY from human beta amyloid plaque in brain homogenates


J Med Chem 50: 2415-23 (2007)

More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50173647
PNG
((E)-4-(4-(methylamino)styryl)phenol | 4-(4-(methyl...)
Show SMILES CNc1ccc(\C=C\c2ccc(O)cc2)cc1
Show InChI InChI=1S/C15H15NO/c1-16-14-8-4-12(5-9-14)2-3-13-6-10-15(17)11-7-13/h2-11,16-17H,1H3/b3-2+
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1.20n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition constant for I-125-IMPY binding to amyloid plaques in Alzheimers disease brain homogenates


J Med Chem 48: 5980-8 (2005)


Article DOI: 10.1021/jm050166g
BindingDB Entry DOI: 10.7270/Q2TB17PR
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50173647
PNG
((E)-4-(4-(methylamino)styryl)phenol | 4-(4-(methyl...)
Show SMILES CNc1ccc(\C=C\c2ccc(O)cc2)cc1
Show InChI InChI=1S/C15H15NO/c1-16-14-8-4-12(5-9-14)2-3-13-6-10-15(17)11-7-13/h2-11,16-17H,1H3/b3-2+
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1.20n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Displacement of [125I]2-(4'-dimethylaminophenyl)-6-iodoimidazo[1,2-a]pyridine from beta amyloid peptide in brain tissue at 50 uL


J Med Chem 49: 2841-4 (2006)


Article DOI: 10.1021/jm051020k
BindingDB Entry DOI: 10.7270/Q2Q23ZT9
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50173647
PNG
((E)-4-(4-(methylamino)styryl)phenol | 4-(4-(methyl...)
Show SMILES CNc1ccc(\C=C\c2ccc(O)cc2)cc1
Show InChI InChI=1S/C15H15NO/c1-16-14-8-4-12(5-9-14)2-3-13-6-10-15(17)11-7-13/h2-11,16-17H,1H3/b3-2+
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1.20n/an/an/an/an/an/an/an/a



Sungkyunkwan University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to amyloid beta (1-42) aggregates in human Alzheimer's disease brain sections


J Med Chem 55: 883-92 (2012)

More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50109052
PNG
((4-Benzothiazol-2-yl-phenyl)-methyl-amine | 4-(ben...)
Show SMILES CNc1ccc(cc1)-c1nc2ccccc2s1
Show InChI InChI=1S/C14H12N2S/c1-15-11-8-6-10(7-9-11)14-16-12-4-2-3-5-13(12)17-14/h2-9,15H,1H3
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1.30n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Binding affinity to Beta amyloid aggregates in Alzheimer's disease patient brain by competitive binding assay


J Med Chem 53: 933-41 (2010)

More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50122787
PNG
(2-(4'-dimethylaminophenyl)-6-iodoimidazo[1,2-a]pyr...)
Show SMILES CN(C)c1ccc(cc1)-c1cn2cc(I)ccc2n1
Show InChI InChI=1S/C15H14IN3/c1-18(2)13-6-3-11(4-7-13)14-10-19-9-12(16)5-8-15(19)17-14/h3-10H,1-2H3
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1.30n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Displacement of [18F]-amyvid from amyloid-beta aggregates in alzheimer's disease patient brain homogenates after 1 hr


J Med Chem 54: 8085-98 (2011)

More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50185947
PNG
(5-methoxy-2-(4-methylaminophenyl)benzofuran | CHEM...)
Show SMILES CNc1ccc(cc1)-c1cc2cc(OC)ccc2o1
Show InChI InChI=1S/C16H15NO2/c1-17-13-5-3-11(4-6-13)16-10-12-9-14(18-2)7-8-15(12)19-16/h3-10,17H,1-2H3
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1.30n/an/an/an/an/an/an/an/a



Nagasaki University

Curated by ChEMBL


Assay Description
Displacement of [125I]IMPY from beta amyloid in human corpse AD brain


J Med Chem 49: 2725-30 (2006)


Article DOI: 10.1021/jm051176k
BindingDB Entry DOI: 10.7270/Q23B5ZRB
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50122787
PNG
(2-(4'-dimethylaminophenyl)-6-iodoimidazo[1,2-a]pyr...)
Show SMILES CN(C)c1ccc(cc1)-c1cn2cc(I)ccc2n1
Show InChI InChI=1S/C15H14IN3/c1-18(2)13-6-3-11(4-7-13)14-10-19-9-12(16)5-8-15(19)17-14/h3-10H,1-2H3
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1.30n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Binding affinity to Beta amyloid aggregates in Alzheimer's disease patient brain by competitive binding assay


J Med Chem 53: 933-41 (2010)

More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50479453
PNG
(CHEMBL519255)
Show SMILES FCCOCCOCCOc1ccc(cc1)C#Cc1ccc2[nH]ccc2c1
Show InChI InChI=1S/C22H22FNO3/c23-10-12-25-13-14-26-15-16-27-21-6-3-18(4-7-21)1-2-19-5-8-22-20(17-19)9-11-24-22/h3-9,11,17,24H,10,12-16H2
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1.5n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Displacement of [125I]IMPY from beta-amyloid plaques in AD patient brain


Bioorg Med Chem Lett 18: 4823-7 (2008)

More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50476296
PNG
(CHEMBL228033)
Show SMILES CNc1ccc(cc1)C#Cc1ccc(O)cc1
Show InChI InChI=1S/C15H13NO/c1-16-14-8-4-12(5-9-14)2-3-13-6-10-15(17)11-7-13/h4-11,16-17H,1H3
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1.5n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Displacement of [125I]IMPY from human beta amyloid plaque in brain homogenates


J Med Chem 50: 2415-23 (2007)

More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50100132
PNG
(6-Bromo-2-[4-(4-methyl-piperazin-1-yl)-phenyl]-ben...)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1nc2ccc(Br)cc2s1
Show InChI InChI=1S/C18H18BrN3S/c1-21-8-10-22(11-9-21)15-5-2-13(3-6-15)18-20-16-7-4-14(19)12-17(16)23-18/h2-7,12H,8-11H2,1H3
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1.60n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition constant for amyloid beta compared to [125I]-TZDM


J Med Chem 44: 1905-14 (2001)


Article DOI: 10.1021/jm010045q
BindingDB Entry DOI: 10.7270/Q2V69HV8
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50476855
PNG
(CHEMBL232112)
Show SMILES CNc1ccc(cc1)C#Cc1cnc(OCCO)c(Br)c1
Show InChI InChI=1S/C16H15BrN2O2/c1-18-14-6-4-12(5-7-14)2-3-13-10-15(17)16(19-11-13)21-9-8-20/h4-7,10-11,18,20H,8-9H2,1H3
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1.60n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Displacement of [125I]IMPY from beta amyloid plaque in human brain homogenates


Bioorg Med Chem Lett 17: 3581-4 (2007)

More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(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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1.60n/an/an/an/an/an/an/an/a



Seoul National University Bundang Hospital

Curated by ChEMBL


Assay Description
Displacement of [3H]PIB from amyloid beta (1 to 42) aggregates in Alzheimer's disease-human brain homogenate after 3 hrs by gamma counting


Bioorg Med Chem 19: 2980-90 (2011)

More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50481119
PNG
(AZD-2184 | CHEMBL570378)
Show SMILES CNc1ccc(cn1)-c1nc2ccc(O)cc2s1
Show InChI InChI=1S/C13H11N3OS/c1-14-12-5-2-8(7-15-12)13-16-10-4-3-9(17)6-11(10)18-13/h2-7,17H,1H3,(H,14,15)
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1.70n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Binding affinity to Beta amyloid aggregates in Alzheimer's disease patient brain by competitive binding assay


J Med Chem 53: 933-41 (2010)

More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50129794
PNG
(CHEMBL328660 | [4-(6-Bromo-benzothiazol-2-yl)-phen...)
Show SMILES CNc1ccc(cc1)-c1nc2ccc(Br)cc2s1
Show InChI InChI=1S/C14H11BrN2S/c1-16-11-5-2-9(3-6-11)14-17-12-7-4-10(15)8-13(12)18-14/h2-8,16H,1H3
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1.70n/an/an/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Binding affinity for Amyloid beta 1-40 aggregates in competition with [N-methyl-3H] BTA-1.


J Med Chem 46: 2740-54 (2003)


Article DOI: 10.1021/jm030026b
BindingDB Entry DOI: 10.7270/Q23R0S87
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50476293
PNG
(CHEMBL227495)
Show SMILES CNc1ccc(cc1)C#Cc1ccc(OCCOCCOCCF)cc1
Show InChI InChI=1S/C21H24FNO3/c1-23-20-8-4-18(5-9-20)2-3-19-6-10-21(11-7-19)26-17-16-25-15-14-24-13-12-22/h4-11,23H,12-17H2,1H3
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1.90n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Displacement of [125I]IMPY from human beta amyloid plaque in brain homogenates


J Med Chem 50: 2415-23 (2007)

More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50129784
PNG
(4-(6-Methoxybenzo[d]thiazol-2-yl)-N,N-dimethylanil...)
Show SMILES COc1ccc2nc(sc2c1)-c1ccc(cc1)N(C)C
Show InChI InChI=1S/C16H16N2OS/c1-18(2)12-6-4-11(5-7-12)16-17-14-9-8-13(19-3)10-15(14)20-16/h4-10H,1-3H3
PDB
MMDB

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1.90n/an/an/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Binding affinity for Amyloid beta 1-40 aggregates in competition with [N-methyl-3H] BTA-1.


J Med Chem 46: 2740-54 (2003)


Article DOI: 10.1021/jm030026b
BindingDB Entry DOI: 10.7270/Q23R0S87
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50100133
PNG
(CHEMBL55401 | [4-(6-Bromo-benzothiazol-2-yl)-pheny...)
Show SMILES CN(C)c1ccc(cc1)-c1nc2ccc(Br)cc2s1
Show InChI InChI=1S/C15H13BrN2S/c1-18(2)12-6-3-10(4-7-12)15-17-13-8-5-11(16)9-14(13)19-15/h3-9H,1-2H3
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1.90n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition constant for amyloid beta compared to [125I]-TZDM


J Med Chem 44: 1905-14 (2001)


Article DOI: 10.1021/jm010045q
BindingDB Entry DOI: 10.7270/Q2V69HV8
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50481123
PNG
(CHEMBL570610)
Show SMILES CN(C)c1ccc(\C=C\c2ccc(I)cc2)cc1
Show InChI InChI=1S/C16H16IN/c1-18(2)16-11-7-14(8-12-16)4-3-13-5-9-15(17)10-6-13/h3-12H,1-2H3/b4-3+
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MMDB

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2n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Binding affinity to Beta amyloid aggregates in Alzheimer's disease patient brain by competitive binding assay


J Med Chem 53: 933-41 (2010)

More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50484947
PNG
(CHEMBL2017621)
Show SMILES CNc1ccc(cc1)-c1cn2c(n1)sc1cc(OCC[18F])ccc21
Show InChI InChI=1S/C18H16FN3OS/c1-20-13-4-2-12(3-5-13)15-11-22-16-7-6-14(23-9-8-19)10-17(16)24-18(22)21-15/h2-7,10-11,20H,8-9H2,1H3/i19-1
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2.10n/an/an/an/an/an/an/an/a



Technische Universit£t M£nchen

Curated by ChEMBL


Assay Description
Displacement of [3H]Pittsburgh compound B from human Abeta1-40 after 3 hrs by liquid scintillation counting


ACS Med Chem Lett 2: 673-7 (2011)

More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50485236
PNG
(BAY-949172 | CHEBI:79033 | FLORBETABEN F18 | Florb...)
Show SMILES CNc1ccc(\C=C\c2ccc(OCCOCCOCC[18F])cc2)cc1
Show InChI InChI=1S/C21H26FNO3/c1-23-20-8-4-18(5-9-20)2-3-19-6-10-21(11-7-19)26-17-16-25-15-14-24-13-12-22/h2-11,23H,12-17H2,1H3/b3-2+/i22-1
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2.20n/an/an/an/an/an/an/an/a



Sungkyunkwan University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to amyloid beta (1-42) aggregates in human Alzheimer's disease brain sections


J Med Chem 55: 883-92 (2012)

More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50485236
PNG
(BAY-949172 | CHEBI:79033 | FLORBETABEN F18 | Florb...)
Show SMILES CNc1ccc(\C=C\c2ccc(OCCOCCOCC[18F])cc2)cc1
Show InChI InChI=1S/C21H26FNO3/c1-23-20-8-4-18(5-9-20)2-3-19-6-10-21(11-7-19)26-17-16-25-15-14-24-13-12-22/h2-11,23H,12-17H2,1H3/b3-2+/i22-1
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2.20n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Binding affinity to human amyloid beta plaque


ACS Med Chem Lett 3: 265-7 (2012)

More data for this
Ligand-Target Pair
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