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Compile Data Set for Download or QSAR

Found 27 hits of kd data for polymerid = 3579   
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))
BDBM50481603
PNG
(CHEMBL607562)
Show SMILES CN1C(=O)c2ccc(Nc3ccc([125I])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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n/an/an/a 0.210n/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))
BDBM50497728
PNG
(CHEMBL3314344)
Show SMILES COc1ccc(OCc2ccc([125I])cc2)cc1
Show InChI InChI=1S/C14H13IO2/c1-16-13-6-8-14(9-7-13)17-10-11-2-4-12(15)5-3-11/h2-9H,10H2,1H3
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n/an/an/a 0.560n/an/an/an/an/a



Beijing Normal University

Curated by ChEMBL


Assay Description
Binding affinity to amyloid beta42 (unknown origin) after 3 hrs by gamma counting


J Med Chem 57: 6030-42 (2014)

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


(Homo sapiens (Human))
BDBM50463677
PNG
(CHEMBL4241414)
Show SMILES [I-].C[n+]1c2CC\C(=C/c3cccc4ccccc34)C(=O)c2c(N)c2ccccc12
Show InChI InChI=1S/C25H20N2O/c1-27-21-12-5-4-11-20(21)24(26)23-22(27)14-13-18(25(23)28)15-17-9-6-8-16-7-2-3-10-19(16)17/h2-12,15,26H,13-14H2,1H3/p+1/b18-15+
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n/an/an/a 1.60n/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Binding affinity to amyloid beta (1 to 42) (unknown origin) by surface plasmon resonance assay


Bioorg Med Chem 26: 4693-4705 (2018)

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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n/an/an/a 2.40n/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


J Med Chem 53: 933-41 (2010)

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


(Homo sapiens (Human))
BDBM50100134
PNG
(2-(4-Dimethylamino-phenyl)-3,6-dimethyl-benzothiaz...)
Show SMILES CN(C)c1ccc(cc1)-c1sc2cc(C)ccc2[n+]1C
Show InChI InChI=1S/C17H19N2S/c1-12-5-10-15-16(11-12)20-17(19(15)4)13-6-8-14(9-7-13)18(2)3/h5-11H,1-4H3/q+1
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n/an/an/a 2.60n/an/an/an/an/a



Instituto Tecnol£gico e Nuclear

Curated by ChEMBL


Assay Description
Binding affinity to human amyloid beta (1 to 42) fibril by fluorescence intensity assay


Bioorg Med Chem 19: 7698-710 (2011)

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


(Homo sapiens (Human))
BDBM50484503
PNG
(CHEMBL1926774)
Show SMILES CN(CCF)c1ccc(\C=C/c2nc3ccccc3n2C)cc1
Show InChI InChI=1S/C19H20FN3/c1-22(14-13-20)16-10-7-15(8-11-16)9-12-19-21-17-5-3-4-6-18(17)23(19)2/h3-12H,13-14H2,1-2H3/b12-9-
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n/an/an/a 3.5n/an/an/an/an/a



Instituto Tecnol£gico e Nuclear

Curated by ChEMBL


Assay Description
Binding affinity to human amyloid beta (1 to 42) fibril by fluorescence intensity assay


Bioorg Med Chem 19: 7698-710 (2011)

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


(Homo sapiens (Human))
BDBM50484504
PNG
(CHEMBL1926773)
Show SMILES CN(CCF)c1ccc(\C=C\c2nc3ccccc3[nH]2)cc1
Show InChI InChI=1S/C18H18FN3/c1-22(13-12-19)15-9-6-14(7-10-15)8-11-18-20-16-4-2-3-5-17(16)21-18/h2-11H,12-13H2,1H3,(H,20,21)/b11-8+
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n/an/an/a 3.60n/an/an/an/an/a



Instituto Tecnol£gico e Nuclear

Curated by ChEMBL


Assay Description
Binding affinity to human amyloid beta (1 to 42) fibril by fluorescence intensity assay


Bioorg Med Chem 19: 7698-710 (2011)

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


(Homo sapiens (Human))
BDBM23926
PNG
((E)-resveratrol | 5-[(E)-2-(4-hydroxyphenyl)etheny...)
Show SMILES Oc1ccc(\C=C\c2cc(O)cc(O)c2)cc1
Show InChI InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+
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n/an/an/a 3.90n/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Binding affinity to amyloid beta (1 to 42) (unknown origin) by surface plasmon resonance assay


Bioorg Med Chem 26: 4693-4705 (2018)

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


(Homo sapiens (Human))
BDBM50485997
PNG
(CHEMBL2203379)
Show SMILES CN(C)c1ccc(cc1)-c1nc2ccc(F)nc2o1
Show InChI InChI=1S/C14H12FN3O/c1-18(2)10-5-3-9(4-6-10)13-16-11-7-8-12(15)17-14(11)19-13/h3-8H,1-2H3
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n/an/an/a 4.5n/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]DMAB from amyloid beta plaque in cortex homogenate isolated from Alzheimer disease patient after 90 mins by scintillation countin...


ACS Med Chem Lett 2: 498-502 (2011)

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


(Homo sapiens (Human))
BDBM50484501
PNG
(CHEMBL1926771)
Show SMILES CN(CCF)c1ccc(\C=C\c2nc3ccccc3o2)cc1
Show InChI InChI=1S/C18H17FN2O/c1-21(13-12-19)15-9-6-14(7-10-15)8-11-18-20-16-4-2-3-5-17(16)22-18/h2-11H,12-13H2,1H3/b11-8+
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n/an/an/a 4.5n/an/an/an/an/a



Instituto Tecnol£gico e Nuclear

Curated by ChEMBL


Assay Description
Binding affinity to human amyloid beta (1 to 42) fibril by fluorescence intensity assay


Bioorg Med Chem 19: 7698-710 (2011)

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


(Homo sapiens (Human))
BDBM50484500
PNG
(CHEMBL1926775)
Show SMILES CN(CCF)c1ccc(\C=C\c2nc3ccccc3n2C)cc1
Show InChI InChI=1S/C19H20FN3/c1-22(14-13-20)16-10-7-15(8-11-16)9-12-19-21-17-5-3-4-6-18(17)23(19)2/h3-12H,13-14H2,1-2H3/b12-9+
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n/an/an/a 5.20n/an/an/an/an/a



Instituto Tecnol£gico e Nuclear

Curated by ChEMBL


Assay Description
Binding affinity to human amyloid beta (1 to 42) fibril by fluorescence intensity assay


Bioorg Med Chem 19: 7698-710 (2011)

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


(Homo sapiens (Human))
BDBM50484499
PNG
(CHEMBL1926770)
Show SMILES CN(CCF)c1ccc(\C=C/c2nc3ccccc3o2)cc1
Show InChI InChI=1S/C18H17FN2O/c1-21(13-12-19)15-9-6-14(7-10-15)8-11-18-20-16-4-2-3-5-17(16)22-18/h2-11H,12-13H2,1H3/b11-8-
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n/an/an/a 6n/an/an/an/an/a



Instituto Tecnol£gico e Nuclear

Curated by ChEMBL


Assay Description
Binding affinity to human amyloid beta (1 to 42) fibril by fluorescence intensity assay


Bioorg Med Chem 19: 7698-710 (2011)

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


(Homo sapiens (Human))
BDBM50486005
PNG
(CHEMBL2203394)
Show SMILES [3H]C([3H])([3H])n1ccc2cc(ccc12)-c1nc2ccc(F)nc2o1
Show InChI InChI=1S/C15H10FN3O/c1-19-7-6-9-8-10(2-4-12(9)19)14-17-11-3-5-13(16)18-15(11)20-14/h2-8H,1H3
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n/an/an/a 6.40n/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]DMAB from amyloid beta plaque in cortex homogenate isolated from Alzheimer disease patient after 90 mins by scintillation countin...


ACS Med Chem Lett 2: 498-502 (2011)

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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n/an/an/a 7.20n/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to beta amyloid plaque in human Alzheimer's disease brain tissue


J Med Chem 51: 148-58 (2008)

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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n/an/an/a 8.40n/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]PIB from human amyloid beta (1 to 40) fibrils after 3 hrs by liquid scintillation counting


J Nat Prod 80: 278-289 (2017)

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


(Homo sapiens (Human))
BDBM50485994
PNG
(CHEMBL2203385)
Show SMILES Cn1ccc2cc(cnc12)-c1nc2ccc(F)nc2o1
Show InChI InChI=1S/C14H9FN4O/c1-19-5-4-8-6-9(7-16-12(8)19)13-17-10-2-3-11(15)18-14(10)20-13/h2-7H,1H3
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n/an/an/a 9.60n/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]DMAB from amyloid beta plaque in cortex homogenate isolated from Alzheimer disease patient after 90 mins by scintillation countin...


ACS Med Chem Lett 2: 498-502 (2011)

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


(Homo sapiens (Human))
BDBM50484498
PNG
(CHEMBL1926769)
Show SMILES CN(CCF)c1ccc(\C=C\c2nc3ccccc3s2)cc1
Show InChI InChI=1S/C18H17FN2S/c1-21(13-12-19)15-9-6-14(7-10-15)8-11-18-20-16-4-2-3-5-17(16)22-18/h2-11H,12-13H2,1H3/b11-8+
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n/an/an/a 11n/an/an/an/an/a



Instituto Tecnol£gico e Nuclear

Curated by ChEMBL


Assay Description
Binding affinity to human amyloid beta (1 to 42) fibril by fluorescence intensity assay


Bioorg Med Chem 19: 7698-710 (2011)

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


(Homo sapiens (Human))
BDBM50484502
PNG
(CHEMBL1926768)
Show SMILES CN(CCF)c1ccc(\C=C/c2nc3ccccc3s2)cc1
Show InChI InChI=1S/C18H17FN2S/c1-21(13-12-19)15-9-6-14(7-10-15)8-11-18-20-16-4-2-3-5-17(16)22-18/h2-11H,12-13H2,1H3/b11-8-
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n/an/an/a 24n/an/an/an/an/a



Instituto Tecnol£gico e Nuclear

Curated by ChEMBL


Assay Description
Binding affinity to human amyloid beta (1 to 42) fibril by fluorescence intensity assay


Bioorg Med Chem 19: 7698-710 (2011)

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


(Homo sapiens (Human))
BDBM50490495
PNG
(CHEMBL2326893)
Show SMILES CCN(CC)CCCC(C)Nc1c2ccc(I)cc2nc2ccc(OC)cc12
Show InChI InChI=1S/C23H30IN3O/c1-5-27(6-2)13-7-8-16(3)25-23-19-11-9-17(24)14-22(19)26-21-12-10-18(28-4)15-20(21)23/h9-12,14-16H,5-8,13H2,1-4H3,(H,25,26)
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n/an/an/a 48n/an/an/an/an/a



Nagasaki University

Curated by ChEMBL


Assay Description
Binding affinity to amyloid beta aggregate (unknown origin) by centrifugation method


Eur J Med Chem 60: 469-78 (2013)

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


(Homo sapiens (Human))
BDBM195591
PNG
(US9216974,Resorufin | US9333197, Resorufin)
Show SMILES Oc1ccc2nc3ccc(=O)cc3oc2c1
Show InChI InChI=1S/C12H7NO3/c14-7-1-3-9-11(5-7)16-12-6-8(15)2-4-10(12)13-9/h1-6,14H
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n/an/an/a 225n/an/an/an/an/a



Washington University

US Patent


Assay Description
To determine the Ki values, fixed brain tissues prepared from 15-month-old Tg2576 mice (N=5) will be incubated for 30 min with 1 μM methoxy-X34 ...


US Patent US9216974 (2015)


BindingDB Entry DOI: 10.7270/Q2WD3ZCG
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50103964
PNG
(CHEMBL3593932)
Show SMILES [O-][N+](=O)c1ccc(\C=C\C=C2/C(=O)N(Cc3ccc(OCCF)cc3)c3ccccc23)cc1
Show InChI InChI=1S/C26H21FN2O4/c27-16-17-33-22-14-10-20(11-15-22)18-28-25-7-2-1-5-23(25)24(26(28)30)6-3-4-19-8-12-21(13-9-19)29(31)32/h1-15H,16-18H2/b4-3+,24-6-
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Article
PubMed
n/an/an/a 271n/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Binding affinity amyloid beta (1 to 42) (unknown origin) expressed in Escherichia coli after 1 hr by scintillation counting


J Med Chem 58: 6002-17 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00571
BindingDB Entry DOI: 10.7270/Q24Q7WRC
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM195598
PNG
(US9216974, WC-5-4)
Show SMILES COc1cccc(COc2ccc3nc4ccc(=O)cc4oc3c2)c1
Show InChI InChI=1S/C20H15NO4/c1-23-15-4-2-3-13(9-15)12-24-16-6-8-18-20(11-16)25-19-10-14(22)5-7-17(19)21-18/h2-11H,12H2,1H3
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n/an/an/a 537n/an/an/an/an/a



Washington University

US Patent


Assay Description
To determine the Ki values, fixed brain tissues prepared from 15-month-old Tg2576 mice (N=5) will be incubated for 30 min with 1 μM methoxy-X34 ...


US Patent US9216974 (2015)


BindingDB Entry DOI: 10.7270/Q2WD3ZCG
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM195599
PNG
(US9216974, WC-5-2)
Show SMILES FCCOc1ccc2nc3ccc(=O)cc3oc2c1
Show InChI InChI=1S/C14H10FNO3/c15-5-6-18-10-2-4-12-14(8-10)19-13-7-9(17)1-3-11(13)16-12/h1-4,7-8H,5-6H2
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n/an/an/a 800n/an/an/an/an/a



Washington University

US Patent


Assay Description
To determine the Ki values, fixed brain tissues prepared from 15-month-old Tg2576 mice (N=5) will be incubated for 30 min with 1 μM methoxy-X34 ...


US Patent US9216974 (2015)


BindingDB Entry DOI: 10.7270/Q2WD3ZCG
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM195600
PNG
(US9216974, WC-5-1)
Show SMILES O=c1ccc2nc3ccc(OC#C)cc3oc2c1
Show InChI InChI=1S/C14H7NO3/c1-2-17-10-4-6-12-14(8-10)18-13-7-9(16)3-5-11(13)15-12/h1,3-8H
PDB
MMDB

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US Patent
n/an/an/a 828n/an/an/an/an/a



Washington University

US Patent


Assay Description
To determine the Ki values, fixed brain tissues prepared from 15-month-old Tg2576 mice (N=5) will be incubated for 30 min with 1 μM methoxy-X34 ...


US Patent US9216974 (2015)


BindingDB Entry DOI: 10.7270/Q2WD3ZCG
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM195595
PNG
(US9216974, WC-5-9)
Show SMILES BrCCOc1ccc2nc3ccc(=O)cc3oc2c1
Show InChI InChI=1S/C14H10BrNO3/c15-5-6-18-10-2-4-12-14(8-10)19-13-7-9(17)1-3-11(13)16-12/h1-4,7-8H,5-6H2
PDB
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US Patent
n/an/an/a 927n/an/an/an/an/a



Washington University

US Patent


Assay Description
To determine the Ki values, fixed brain tissues prepared from 15-month-old Tg2576 mice (N=5) will be incubated for 30 min with 1 μM methoxy-X34 ...


US Patent US9216974 (2015)


BindingDB Entry DOI: 10.7270/Q2WD3ZCG
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM195585
PNG
(US9216974, WC-5-3)
Show SMILES FCCn1cc(COc2ccc3nc4ccc(=O)cc4oc3c2)nn1
Show InChI InChI=1S/C17H13FN4O3/c18-5-6-22-9-11(20-21-22)10-24-13-2-4-15-17(8-13)25-16-7-12(23)1-3-14(16)19-15/h1-4,7-9H,5-6,10H2
PDB
MMDB

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US Patent
n/an/an/a 2.38E+3n/an/an/an/an/a



Washington University

US Patent


Assay Description
To determine the Ki values, fixed brain tissues prepared from 15-month-old Tg2576 mice (N=5) will be incubated for 30 min with 1 μM methoxy-X34 ...


US Patent US9216974 (2015)


BindingDB Entry DOI: 10.7270/Q2WD3ZCG
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM195588
PNG
(US9216974, WC-5-31)
Show SMILES Ic1ccc(COc2ccc3nc4ccc(=O)cc4oc3c2)cc1
Show InChI InChI=1S/C19H12INO3/c20-13-3-1-12(2-4-13)11-23-15-6-8-17-19(10-15)24-18-9-14(22)5-7-16(18)21-17/h1-10H,11H2
PDB
MMDB

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US Patent
n/an/an/a>1.00E+4n/an/an/an/an/a



Washington University

US Patent


Assay Description
To determine the Ki values, fixed brain tissues prepared from 15-month-old Tg2576 mice (N=5) will be incubated for 30 min with 1 μM methoxy-X34 ...


US Patent US9216974 (2015)


BindingDB Entry DOI: 10.7270/Q2WD3ZCG
More data for this
Ligand-Target Pair