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Compile Data Set for Download or QSAR

Found 134 hits of kd for UniProtKB: P05067   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Amyloid-beta precursor 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)


Article DOI: 10.1016/j.bmc.2009.12.023
BindingDB Entry DOI: 10.7270/Q2445Q9V
More data for this
Ligand-Target Pair
Amyloid-beta precursor 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)


Article DOI: 10.1021/jm5004396
BindingDB Entry DOI: 10.7270/Q2J1065N
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein [1-42]


(Homo sapiens (Human))
BDBM481160
PNG
(US10906900, Reference 28)
Show SMILES CN(CCF)c1ccc(cc1)C#Cc1cc2cccnc2[nH]1
Show InChI InChI=1S/C18H16FN3/c1-22(12-10-19)17-8-5-14(6-9-17)4-7-16-13-15-3-2-11-20-18(15)21-16/h2-3,5-6,8-9,11,13H,10,12H2,1H3,(H,20,21)
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n/an/an/a 1.20n/an/an/an/an/a



CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE; UNIVERSITE D''ORLEANS; UNIVERSITE DE TOURS; CENTRE HOSPITALIER REGIONAL UNIVERSITAIRE DE TOURS; INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE)

US Patent


Assay Description
Table 6 & 7: Fresh solutions of each test compound (2.5 mM in DMSO) are diluted in PBS pH=7.4 at concentrations between 0.5 nM and 5 μM in the p...


US Patent US10906900 (2021)


BindingDB Entry DOI: 10.7270/Q2BC42NC
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50598562
PNG
(CHEMBL5207165)
Show SMILES [#6]-[#7](-[#6])-c1ncc(\[#6]=[#6]\c2nc3cc(-[#8]-[#6]-[#6]F)ccc3[se;v2]2)cn1
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n/an/an/a 1.60n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01619
BindingDB Entry DOI: 10.7270/Q2X92GCK
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein [1-42]


(Homo sapiens (Human))
BDBM50492518
PNG
(Florbetapir | US10906900, AV45)
Show SMILES CNc1ccc(\C=C\c2ccc(OCCOCCOCCF)nc2)cc1
Show InChI InChI=1S/C20H25FN2O3/c1-22-19-7-4-17(5-8-19)2-3-18-6-9-20(23-16-18)26-15-14-25-13-12-24-11-10-21/h2-9,16,22H,10-15H2,1H3/b3-2+
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n/an/an/a 1.68n/an/an/an/an/a



CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE; UNIVERSITE D''ORLEANS; UNIVERSITE DE TOURS; CENTRE HOSPITALIER REGIONAL UNIVERSITAIRE DE TOURS; INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE)

US Patent


Assay Description
Table 6 & 7: Fresh solutions of each test compound (2.5 mM in DMSO) are diluted in PBS pH=7.4 at concentrations between 0.5 nM and 5 μM in the p...


US Patent US10906900 (2021)


BindingDB Entry DOI: 10.7270/Q2BC42NC
More data for this
Ligand-Target Pair
Amyloid-beta precursor 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)


Article DOI: 10.1021/jm901039z
BindingDB Entry DOI: 10.7270/Q2RX9FW6
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein [1-42]


(Homo sapiens (Human))
BDBM481151
PNG
(US10906900, Reference 22c)
Show SMILES CN(C)c1ccc(cc1)C#Cc1cc2ncccc2[nH]1
Show InChI InChI=1S/C17H15N3/c1-20(2)15-9-6-13(7-10-15)5-8-14-12-17-16(19-14)4-3-11-18-17/h3-4,6-7,9-12,19H,1-2H3
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n/an/an/a 2.90n/an/an/an/an/a



CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE; UNIVERSITE D''ORLEANS; UNIVERSITE DE TOURS; CENTRE HOSPITALIER REGIONAL UNIVERSITAIRE DE TOURS; INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE)

US Patent


Assay Description
Table 6 & 7: Fresh solutions of each test compound (2.5 mM in DMSO) are diluted in PBS pH=7.4 at concentrations between 0.5 nM and 5 μM in the p...


US Patent US10906900 (2021)


BindingDB Entry DOI: 10.7270/Q2BC42NC
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein [1-42]


(Homo sapiens (Human))
BDBM481159
PNG
(US10906900, Reference 25c)
Show SMILES CN(C)c1ccc(cc1)C#Cc1cc2ccc(nc2[nH]1)-c1ccc(F)nc1
Show InChI InChI=1S/C22H17FN4/c1-27(2)19-9-4-15(5-10-19)3-8-18-13-16-6-11-20(26-22(16)25-18)17-7-12-21(23)24-14-17/h4-7,9-14H,1-2H3,(H,25,26)
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n/an/an/a 3.10n/an/an/an/an/a



CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE; UNIVERSITE D''ORLEANS; UNIVERSITE DE TOURS; CENTRE HOSPITALIER REGIONAL UNIVERSITAIRE DE TOURS; INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE)

US Patent


Assay Description
Table 6 & 7: Fresh solutions of each test compound (2.5 mM in DMSO) are diluted in PBS pH=7.4 at concentrations between 0.5 nM and 5 μM in the p...


US Patent US10906900 (2021)


BindingDB Entry DOI: 10.7270/Q2BC42NC
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50598552
PNG
(CHEMBL5186511)
Show SMILES CN(C)c1ccc(\C=C\C2=CC(\C=C\c3ccc(cc3)N(C)C)=[O+][B-]3(OC(=O)C(=O)O3)O2)cc1 |c:23,t:9|
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n/an/an/a 3.20n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01619
BindingDB Entry DOI: 10.7270/Q2X92GCK
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein [1-42]


(Homo sapiens (Human))
BDBM481156
PNG
(US10906900, Reference 22d)
Show SMILES CN(C)c1ccc(cc1)C#Cc1cc2cnccc2[nH]1
Show InChI InChI=1S/C17H15N3/c1-20(2)16-7-4-13(5-8-16)3-6-15-11-14-12-18-10-9-17(14)19-15/h4-5,7-12,19H,1-2H3
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n/an/an/a 3.60n/an/an/an/an/a



CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE; UNIVERSITE D''ORLEANS; UNIVERSITE DE TOURS; CENTRE HOSPITALIER REGIONAL UNIVERSITAIRE DE TOURS; INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE)

US Patent


Assay Description
Table 6 & 7: Fresh solutions of each test compound (2.5 mM in DMSO) are diluted in PBS pH=7.4 at concentrations between 0.5 nM and 5 μM in the p...


US Patent US10906900 (2021)


BindingDB Entry DOI: 10.7270/Q2BC42NC
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50598552
PNG
(CHEMBL5186511)
Show SMILES CN(C)c1ccc(\C=C\C2=CC(\C=C\c3ccc(cc3)N(C)C)=[O+][B-]3(OC(=O)C(=O)O3)O2)cc1 |c:23,t:9|
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n/an/an/a 3.80n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01619
BindingDB Entry DOI: 10.7270/Q2X92GCK
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein [1-42]


(Homo sapiens (Human))
BDBM50185987
PNG
(2-(1-(6-((2-fluoroethyl)(methyl)amino)naphthalen-2...)
Show SMILES [#6]-[#7](-[#6]-[#6]F)-c1ccc2cc(ccc2c1)-[#6](\[#6])=[#6](\C#N)C#N
Show InChI InChI=1S/C18H16FN3/c1-13(17(11-20)12-21)14-3-4-16-10-18(22(2)8-7-19)6-5-15(16)9-14/h3-6,9-10H,7-8H2,1-2H3
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n/an/an/a 4.20n/an/an/an/an/a



CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE; UNIVERSITE D''ORLEANS; UNIVERSITE DE TOURS; CENTRE HOSPITALIER REGIONAL UNIVERSITAIRE DE TOURS; INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE)

US Patent


Assay Description
Table 6 & 7: Fresh solutions of each test compound (2.5 mM in DMSO) are diluted in PBS pH=7.4 at concentrations between 0.5 nM and 5 μM in the p...


US Patent US10906900 (2021)


BindingDB Entry DOI: 10.7270/Q2BC42NC
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein [1-42]


(Homo sapiens (Human))
BDBM481158
PNG
(US10906900, Reference 25b)
Show SMILES CN(C)c1ccc(cc1)C#Cc1cc2ccc(nc2[nH]1)-c1ccsc1
Show InChI InChI=1S/C21H17N3S/c1-24(2)19-8-4-15(5-9-19)3-7-18-13-16-6-10-20(23-21(16)22-18)17-11-12-25-14-17/h4-6,8-14H,1-2H3,(H,22,23)
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n/an/an/a 4.27n/an/an/an/an/a



CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE; UNIVERSITE D''ORLEANS; UNIVERSITE DE TOURS; CENTRE HOSPITALIER REGIONAL UNIVERSITAIRE DE TOURS; INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE)

US Patent


Assay Description
Table 6 & 7: Fresh solutions of each test compound (2.5 mM in DMSO) are diluted in PBS pH=7.4 at concentrations between 0.5 nM and 5 μM in the p...


US Patent US10906900 (2021)


BindingDB Entry DOI: 10.7270/Q2BC42NC
More data for this
Ligand-Target Pair
Amyloid-beta precursor 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)


Article DOI: 10.1021/ml200018n
BindingDB Entry DOI: 10.7270/Q2TB19RG
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein [1-42]


(Homo sapiens (Human))
BDBM481157
PNG
(US10906900, Reference 25a)
Show SMILES CN(C)c1ccc(cc1)C#Cc1cc2ccc(nc2[nH]1)-c1cccs1
Show InChI InChI=1S/C21H17N3S/c1-24(2)18-10-6-15(7-11-18)5-9-17-14-16-8-12-19(23-21(16)22-17)20-4-3-13-25-20/h3-4,6-8,10-14H,1-2H3,(H,22,23)
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n/an/an/a 4.90n/an/an/an/an/a



CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE; UNIVERSITE D''ORLEANS; UNIVERSITE DE TOURS; CENTRE HOSPITALIER REGIONAL UNIVERSITAIRE DE TOURS; INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE)

US Patent


Assay Description
Table 6 & 7: Fresh solutions of each test compound (2.5 mM in DMSO) are diluted in PBS pH=7.4 at concentrations between 0.5 nM and 5 μM in the p...


US Patent US10906900 (2021)


BindingDB Entry DOI: 10.7270/Q2BC42NC
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein [1-42]


(Homo sapiens (Human))
BDBM481150
PNG
(US10906900, Reference 22b)
Show SMILES CN(C)c1ccc(cc1)C#Cc1cc2ccncc2[nH]1
Show InChI InChI=1S/C17H15N3/c1-20(2)16-7-4-13(5-8-16)3-6-15-11-14-9-10-18-12-17(14)19-15/h4-5,7-12,19H,1-2H3
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n/an/an/a 5.20n/an/an/an/an/a



CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE; UNIVERSITE D''ORLEANS; UNIVERSITE DE TOURS; CENTRE HOSPITALIER REGIONAL UNIVERSITAIRE DE TOURS; INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE)

US Patent


Assay Description
Table 6 & 7: Fresh solutions of each test compound (2.5 mM in DMSO) are diluted in PBS pH=7.4 at concentrations between 0.5 nM and 5 μM in the p...


US Patent US10906900 (2021)


BindingDB Entry DOI: 10.7270/Q2BC42NC
More data for this
Ligand-Target Pair
Amyloid-beta precursor 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)


Article DOI: 10.1021/ml200018n
BindingDB Entry DOI: 10.7270/Q2TB19RG
More data for this
Ligand-Target Pair
Amyloid-beta precursor 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)


Article DOI: 10.1021/jm700970s
BindingDB Entry DOI: 10.7270/Q2BG2RSQ
More data for this
Ligand-Target Pair
Amyloid-beta precursor 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)


Article DOI: 10.1021/acs.jnatprod.6b00643
BindingDB Entry DOI: 10.7270/Q2CR5XCM
More data for this
Ligand-Target Pair
Amyloid-beta precursor 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)


Article DOI: 10.1021/ml200018n
BindingDB Entry DOI: 10.7270/Q2TB19RG
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein [1-42]


(Homo sapiens (Human))
BDBM481149
PNG
(US10906900, Reference 22a)
Show SMILES CN(C)c1ccc(cc1)C#Cc1cc2cccnc2[nH]1
Show InChI InChI=1S/C17H15N3/c1-20(2)16-9-6-13(7-10-16)5-8-15-12-14-4-3-11-18-17(14)19-15/h3-4,6-7,9-12H,1-2H3,(H,18,19)
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US Patent
n/an/an/a 11.8n/an/an/an/an/a



CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE; UNIVERSITE D''ORLEANS; UNIVERSITE DE TOURS; CENTRE HOSPITALIER REGIONAL UNIVERSITAIRE DE TOURS; INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE)

US Patent


Assay Description
Table 6 & 7: Fresh solutions of each test compound (2.5 mM in DMSO) are diluted in PBS pH=7.4 at concentrations between 0.5 nM and 5 μM in the p...


US Patent US10906900 (2021)


BindingDB Entry DOI: 10.7270/Q2BC42NC
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50598567
PNG
(CHEMBL5199963)
Show SMILES [#6]-[#7](-[#6]-[#6]-[#8])-c1ccc2cc(\[#6]=[#6]\[#6]=[#6]\[#6]=[#6](/C#N)C#N)ccc2c1
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01619
BindingDB Entry DOI: 10.7270/Q2X92GCK
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50598551
PNG
(CHEMBL5169704)
Show SMILES CCN(CC)c1ccc(\C=C\C2=CC(\C=C\c3ccc(nc3)N(CC)CC)=[O+][B-](F)(F)O2)cn1 |c:27,t:11|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01619
BindingDB Entry DOI: 10.7270/Q2X92GCK
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein [1-42]


(Homo sapiens (Human))
BDBM481153
PNG
(US10906900, Reference 22f)
Show SMILES CN(C)c1ccc(cc1)C#Cc1cc2ccc(F)nc2[nH]1
Show InChI InChI=1S/C17H14FN3/c1-21(2)15-8-4-12(5-9-15)3-7-14-11-13-6-10-16(18)20-17(13)19-14/h4-6,8-11H,1-2H3,(H,19,20)
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US Patent
n/an/an/a 16.8n/an/an/an/an/a



CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE; UNIVERSITE D''ORLEANS; UNIVERSITE DE TOURS; CENTRE HOSPITALIER REGIONAL UNIVERSITAIRE DE TOURS; INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE)

US Patent


Assay Description
Table 6 & 7: Fresh solutions of each test compound (2.5 mM in DMSO) are diluted in PBS pH=7.4 at concentrations between 0.5 nM and 5 μM in the p...


US Patent US10906900 (2021)


BindingDB Entry DOI: 10.7270/Q2BC42NC
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50598566
PNG
(CHEMBL5192359)
Show SMILES [#6]-[#7](-[#6])-c1ccc(\[#6]=[#6]\[#6]=[#6]\[#6]=[#6]-2/[#6](=O)-[#7](-[#6])-[#6](=O)-[#7](-[#6])-[#6]-2=O)cc1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01619
BindingDB Entry DOI: 10.7270/Q2X92GCK
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50598551
PNG
(CHEMBL5169704)
Show SMILES CCN(CC)c1ccc(\C=C\C2=CC(\C=C\c3ccc(nc3)N(CC)CC)=[O+][B-](F)(F)O2)cn1 |c:27,t:11|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01619
BindingDB Entry DOI: 10.7270/Q2X92GCK
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50515566
PNG
(CHEMBL4475538)
Show SMILES CN1c2ccccc2Sc2cc(\C=C3\SC(=S)N(CC(=O)OCC4COC(C)(C)O4)C3=O)ccc12
Show InChI InChI=1S/C25H24N2O5S3/c1-25(2)31-14-16(32-25)13-30-22(28)12-27-23(29)21(35-24(27)33)11-15-8-9-18-20(10-15)34-19-7-5-4-6-17(19)26(18)3/h4-11,16H,12-14H2,1-3H3/b21-11+
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n/an/an/a 25n/an/an/an/an/a



Guangdong University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to amyloid beta 1 to 42 (unknown origin) in PBS buffer at pH 7.4 assessed as binding constant by fluorescence based assay


Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.111585
BindingDB Entry DOI: 10.7270/Q2TB1B75
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50598556
PNG
(CHEMBL5174620)
Show SMILES [#6]-[#7](-[#6])-c1ccc(\[#6]=[#6]\[#6]=[#6]\[#6]=[#6](\C#N)C#N)cc1
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01619
BindingDB Entry DOI: 10.7270/Q2X92GCK
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50598551
PNG
(CHEMBL5169704)
Show SMILES CCN(CC)c1ccc(\C=C\C2=CC(\C=C\c3ccc(nc3)N(CC)CC)=[O+][B-](F)(F)O2)cn1 |c:27,t:11|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01619
BindingDB Entry DOI: 10.7270/Q2X92GCK
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50515565
PNG
(CHEMBL4453231)
Show SMILES CN1c2ccccc2Sc2cc(\C=C3\SC(=S)N(CC(=O)OCC(O)CO)C3=O)ccc12
Show InChI InChI=1S/C22H20N2O5S3/c1-23-15-4-2-3-5-17(15)31-18-8-13(6-7-16(18)23)9-19-21(28)24(22(30)32-19)10-20(27)29-12-14(26)11-25/h2-9,14,25-26H,10-12H2,1H3/b19-9+
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n/an/an/a 35n/an/an/an/an/a



Guangdong University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to amyloid beta 1 to 42 (unknown origin) in PBS buffer at pH 7.4 assessed as binding constant by fluorescence based assay


Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.111585
BindingDB Entry DOI: 10.7270/Q2TB1B75
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50598552
PNG
(CHEMBL5186511)
Show SMILES CN(C)c1ccc(\C=C\C2=CC(\C=C\c3ccc(cc3)N(C)C)=[O+][B-]3(OC(=O)C(=O)O3)O2)cc1 |c:23,t:9|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01619
BindingDB Entry DOI: 10.7270/Q2X92GCK
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50598536
PNG
(CHEMBL5183943)
Show SMILES CN(C)c1ccc(\C=C\C2=CC(\C=C\c3ccc(cc3)N(C)C)=[O+][B-](F)(F)O2)cc1 |c:23,t:9|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01619
BindingDB Entry DOI: 10.7270/Q2X92GCK
More data for this
Ligand-Target Pair
Amyloid-beta precursor 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 42n/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)


Article DOI: 10.1016/j.bmc.2011.09.065
BindingDB Entry DOI: 10.7270/Q2X63QTN
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50515568
PNG
(CHEMBL4570231)
Show SMILES CCOC(=O)CN(CC(=O)OCC)C(=O)CN1C(=S)S\C(=C\c2ccc3N(C)c4ccccc4Sc3c2)C1=O
Show InChI InChI=1S/C27H27N3O6S3/c1-4-35-24(32)15-29(16-25(33)36-5-2)23(31)14-30-26(34)22(39-27(30)37)13-17-10-11-19-21(12-17)38-20-9-7-6-8-18(20)28(19)3/h6-13H,4-5,14-16H2,1-3H3/b22-13+
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n/an/an/a 46n/an/an/an/an/a



Guangdong University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to amyloid beta 1 to 42 (unknown origin) in PBS buffer at pH 7.4 assessed as binding constant by fluorescence based assay


Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.111585
BindingDB Entry DOI: 10.7270/Q2TB1B75
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50598550
PNG
(CHEMBL5183307)
Show SMILES CCN(CC)c1ccc(\C=C\C2=CC(\C=C\c3ccc(cc3)N(C)C)=[O+][B-](F)(F)O2)cn1 |c:25,t:11|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01619
BindingDB Entry DOI: 10.7270/Q2X92GCK
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50614044
PNG
(CHEMBL5283353)
Show SMILES [#6]-[#7](-[#6])-c1ccc2nc(\[#6]=[#6]\[#6]=[#6]\[#6]=[#6](\C#N)C#N)sc2c1
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n/an/an/a 48n/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Amyloid-beta precursor 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)


Article DOI: 10.1016/j.ejmech.2012.12.020
BindingDB Entry DOI: 10.7270/Q2GF0XD0
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50598553
PNG
(CHEMBL5207355)
Show SMILES Cc1c(\C=C\C2=CC(\C=C\c3cnn(c3C)-c3ccccc3)=[O+][B-](F)(F)O2)cnn1-c1ccccc1 |c:23,t:5|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01619
BindingDB Entry DOI: 10.7270/Q2X92GCK
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50598553
PNG
(CHEMBL5207355)
Show SMILES Cc1c(\C=C\C2=CC(\C=C\c3cnn(c3C)-c3ccccc3)=[O+][B-](F)(F)O2)cnn1-c1ccccc1 |c:23,t:5|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01619
BindingDB Entry DOI: 10.7270/Q2X92GCK
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50515567
PNG
(CHEMBL4524664)
Show SMILES CN1c2ccccc2Sc2cc(\C=C3\SC(=S)N(CC(=O)N(CC(O)=O)CC(O)=O)C3=O)ccc12
Show InChI InChI=1S/C23H19N3O6S3/c1-24-14-4-2-3-5-16(14)34-17-8-13(6-7-15(17)24)9-18-22(32)26(23(33)35-18)10-19(27)25(11-20(28)29)12-21(30)31/h2-9H,10-12H2,1H3,(H,28,29)(H,30,31)/b18-9+
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n/an/an/a 77n/an/an/an/an/a



Guangdong University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to amyloid beta 1 to 42 (unknown origin) in PBS buffer at pH 7.4 assessed as binding constant by fluorescence based assay


Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.111585
BindingDB Entry DOI: 10.7270/Q2TB1B75
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50598553
PNG
(CHEMBL5207355)
Show SMILES Cc1c(\C=C\C2=CC(\C=C\c3cnn(c3C)-c3ccccc3)=[O+][B-](F)(F)O2)cnn1-c1ccccc1 |c:23,t:5|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01619
BindingDB Entry DOI: 10.7270/Q2X92GCK
More data for this
Ligand-Target Pair
Amyloid-beta precursor 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 91n/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)


Article DOI: 10.1016/j.bmc.2011.09.065
BindingDB Entry DOI: 10.7270/Q2X63QTN
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50598564
PNG
(CHEMBL5193352)
Show SMILES COC(=O)C(=C\C=C\C=C\c1ccc(cc1)N(C)C)\C#N
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01619
BindingDB Entry DOI: 10.7270/Q2X92GCK
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50598550
PNG
(CHEMBL5183307)
Show SMILES CCN(CC)c1ccc(\C=C\C2=CC(\C=C\c3ccc(cc3)N(C)C)=[O+][B-](F)(F)O2)cn1 |c:25,t:11|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01619
BindingDB Entry DOI: 10.7270/Q2X92GCK
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50598549
PNG
(CHEMBL594574)
Show SMILES [#6]-[#7](-[#6])-c1ccc2nc(\[#6]=[#6]\c3ccc(\[#6]=[#6](/C#N)C#N)cc3)sc2c1
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01619
BindingDB Entry DOI: 10.7270/Q2X92GCK
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50598548
PNG
(CHEMBL594555)
Show SMILES [#6]-[#7](-[#6])-c1ccc2nc(\[#6]=[#6](\C#N)C#N)sc2c1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01619
BindingDB Entry DOI: 10.7270/Q2X92GCK
More data for this
Ligand-Target Pair
Amyloid-beta precursor 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 167n/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)


Article DOI: 10.1016/j.bmc.2011.09.065
BindingDB Entry DOI: 10.7270/Q2X63QTN
More data for this
Ligand-Target Pair
Amyloid-beta precursor 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 192n/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)


Article DOI: 10.1016/j.bmc.2011.09.065
BindingDB Entry DOI: 10.7270/Q2X63QTN
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50614051
PNG
(CHEMBL5288007)
Show SMILES COc1ccc2nc(sc2c1)-c1ccc(cc1)N1CCCC1
PDB
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n/an/an/a 220n/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50614052
PNG
(CHEMBL5266905)
Show SMILES COc1ccc2nc(sc2c1)-c1ccc(cc1)N1CCOCC1
PDB
MMDB

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n/an/an/a 220n/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
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