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Compile Data Set for Download or QSAR

Found 197 hits from Beijing Normal University   
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
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))
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



Beijing Normal University

Curated by ChEMBL


Assay Description
Displacement of [125I]IMPY from amyloid beta in brain homogenate of Alzheimer's disease patient after 2 hrs by gamma counting analysis


Bioorg Med Chem 21: 3708-14 (2013)

More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM22165
PNG
(1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-(3-pheny...)
Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C28H32F2N2O/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,28H,4,7,16-22H2
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2.42n/an/an/an/an/an/an/an/a



Beijing Normal University

Curated by ChEMBL


Assay Description
Displacement of [125I]IPT from DAT overexpressed in LLC-PK1 cell membrane by competitive binding assay


Bioorg Med Chem Lett 22: 4303-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.030
BindingDB Entry DOI: 10.7270/Q2XG9S50
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50386906
PNG
(CHEMBL2048520)
Show SMILES CN(CCCF)C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(Cl)cc1)N2C
Show InChI InChI=1/C19H28ClFN2/c1-22(11-3-10-21)13-18-17(14-4-6-15(20)7-5-14)12-16-8-9-19(18)23(16)2/h4-7,16-19H,3,8-13H2,1-2H3/t16-,17+,18-,19+/s2
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2.64n/an/an/an/an/an/an/an/a



Beijing Normal University

Curated by ChEMBL


Assay Description
Displacement of [125I]IPT from DAT overexpressed in LLC-PK1 cell membrane by competitive binding assay


Bioorg Med Chem Lett 22: 4303-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.030
BindingDB Entry DOI: 10.7270/Q2XG9S50
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50484946
PNG
((18F)AV-45 | 18F-AV-45 | AV-45 F-18 | Amyvid | CHE...)
Show SMILES CNc1ccc(\C=C\c2ccc(OCCOCCOCC[18F])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+/i21-1
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2.90n/an/an/an/an/an/an/an/a



Beijing Normal University

Curated by ChEMBL


Assay Description
Displacement of [125I]IMPY from amyloid beta in brain homogenate of Alzheimer's disease patient after 2 hrs by gamma counting analysis


Bioorg Med Chem 21: 3708-14 (2013)

More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50386905
PNG
(CHEMBL2048519)
Show SMILES CN(CCF)C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(Cl)cc1)N2C
Show InChI InChI=1/C18H26ClFN2/c1-21(10-9-20)12-17-16(13-3-5-14(19)6-4-13)11-15-7-8-18(17)22(15)2/h3-6,15-18H,7-12H2,1-2H3/t15-,16+,17-,18+/s2
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3.79n/an/an/an/an/an/an/an/a



Beijing Normal University

Curated by ChEMBL


Assay Description
Displacement of [125I]IPT from DAT overexpressed in LLC-PK1 cell membrane by competitive binding assay


Bioorg Med Chem Lett 22: 4303-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.030
BindingDB Entry DOI: 10.7270/Q2XG9S50
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50481608
PNG
(CHEMBL598081)
Show SMILES CN1C(=O)c2ccc(Nc3ccc(Br)cc3)cc2C1=O
Show InChI InChI=1S/C15H11BrN2O2/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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3.80n/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))
BDBM50481605
PNG
(CHEMBL598288)
Show SMILES CN1C(=O)c2ccc(Nc3ccc(C)cc3)cc2C1=O
Show InChI InChI=1S/C16H14N2O2/c1-10-3-5-11(6-4-10)17-12-7-8-13-14(9-12)16(20)18(2)15(13)19/h3-9,17H,1-2H3
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4.10n/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
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50386907
PNG
(CHEMBL2048521)
Show SMILES CN(CCOCCF)C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(Cl)cc1)N2C
Show InChI InChI=1/C20H30ClFN2O/c1-23(10-12-25-11-9-22)14-19-18(15-3-5-16(21)6-4-15)13-17-7-8-20(19)24(17)2/h3-6,17-20H,7-14H2,1-2H3/t17-,18+,19-,20+/s2
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4.63n/an/an/an/an/an/an/an/a



Beijing Normal University

Curated by ChEMBL


Assay Description
Displacement of [125I]IPT from DAT overexpressed in LLC-PK1 cell membrane by competitive binding assay


Bioorg Med Chem Lett 22: 4303-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.030
BindingDB Entry DOI: 10.7270/Q2XG9S50
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50481604
PNG
(CHEMBL610505)
Show SMILES CN1C(=O)c2ccc(Nc3ccccc3)cc2C1=O
Show InChI InChI=1S/C15H12N2O2/c1-17-14(18)12-8-7-11(9-13(12)15(17)19)16-10-5-3-2-4-6-10/h2-9,16H,1H3
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7.60n/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))
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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11n/an/an/an/an/an/an/an/a



Beijing Normal University

Curated by ChEMBL


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


Bioorg Med Chem 21: 3708-14 (2013)

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


(Homo sapiens (Human))
BDBM50492518
PNG
(FLORBETAPIR | Florbetapir)
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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11n/an/an/an/an/an/an/an/a



Beijing Normal University

Curated by ChEMBL


Assay Description
Displacement of [125I]BOB-4 from Amyloid beta (1 to 42) (unknown origin)


Eur J Med Chem 104: 86-96 (2015)

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


(Homo sapiens (Human))
BDBM50497739
PNG
(CHEMBL3314330)
Show SMILES Brc1ccc(OCc2ccc(I)cc2)cc1
Show InChI InChI=1S/C13H10BrIO/c14-11-3-7-13(8-4-11)16-9-10-1-5-12(15)6-2-10/h1-8H,9H2
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12n/an/an/an/an/an/an/an/a



Beijing Normal University

Curated by ChEMBL


Assay Description
Displacement of [125I]1-Iodo-4-((4-methoxyphenoxy)methyl)benzene from amyloid beta42 (unknown origin) after 3 hrs by gamma counting


J Med Chem 57: 6030-42 (2014)

More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50386903
PNG
(CHEMBL559741)
Show SMILES Cc1ccc(cc1)[C@@H]1C[C@H]2CC[C@H]([C@H]1C(=O)OCCF)N2C\C=C\I
Show InChI InChI=1/C20H25FINO2/c1-14-3-5-15(6-4-14)17-13-16-7-8-18(23(16)11-2-10-22)19(17)20(24)25-12-9-21/h2-6,10,16-19H,7-9,11-13H2,1H3/b10-2+/t16-,17+,18-,19+/s2
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12n/an/an/an/an/an/an/an/a



Beijing Normal University

Curated by ChEMBL


Assay Description
Binding affinity to DAT


Bioorg Med Chem Lett 22: 4303-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.030
BindingDB Entry DOI: 10.7270/Q2XG9S50
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50497739
PNG
(CHEMBL3314330)
Show SMILES Brc1ccc(OCc2ccc(I)cc2)cc1
Show InChI InChI=1S/C13H10BrIO/c14-11-3-7-13(8-4-11)16-9-10-1-5-12(15)6-2-10/h1-8H,9H2
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12n/an/an/an/an/an/an/an/a



Beijing Normal University

Curated by ChEMBL


Assay Description
Displacement of [125I]1-Iodo-4-((4-methoxyphenoxy)methyl)benzene from 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))
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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15n/an/an/an/an/an/an/an/a



Beijing Normal University

Curated by ChEMBL


Assay Description
Displacement of [125I]IMPY from amyloid beta (1 to 40) (unknown origin) after 3 hrs by gamma counting analysis


Bioorg Med Chem 21: 3708-14 (2013)

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


(Homo sapiens (Human))
BDBM50481606
PNG
(CHEMBL598082)
Show SMILES COc1ccc(Nc2ccc3C(=O)N(C)C(=O)c3c2)cc1
Show InChI InChI=1S/C16H14N2O3/c1-18-15(19)13-8-5-11(9-14(13)16(18)20)17-10-3-6-12(21-2)7-4-10/h3-9,17H,1-2H3
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16n/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))
BDBM50497743
PNG
(CHEMBL3314340)
Show SMILES CN(C)c1ccc(OCc2ccc(I)cc2)cc1
Show InChI InChI=1S/C15H16INO/c1-17(2)14-7-9-15(10-8-14)18-11-12-3-5-13(16)6-4-12/h3-10H,11H2,1-2H3
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18n/an/an/an/an/an/an/an/a



Beijing Normal University

Curated by ChEMBL


Assay Description
Displacement of [125I]1-Iodo-4-((4-methoxyphenoxy)methyl)benzene from 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))
BDBM50497743
PNG
(CHEMBL3314340)
Show SMILES CN(C)c1ccc(OCc2ccc(I)cc2)cc1
Show InChI InChI=1S/C15H16INO/c1-17(2)14-7-9-15(10-8-14)18-11-12-3-5-13(16)6-4-12/h3-10H,11H2,1-2H3
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18n/an/an/an/an/an/an/an/a



Beijing Normal University

Curated by ChEMBL


Assay Description
Displacement of [125I]1-Iodo-4-((4-methoxyphenoxy)methyl)benzene from amyloid beta42 (unknown origin) after 3 hrs by gamma counting


J Med Chem 57: 6030-42 (2014)

More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50386910
PNG
(CHEMBL2048524)
Show SMILES CN(C)C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(Cl)cc1)N2CCF
Show InChI InChI=1/C18H26ClFN2/c1-21(2)12-17-16(13-3-5-14(19)6-4-13)11-15-7-8-18(17)22(15)10-9-20/h3-6,15-18H,7-12H2,1-2H3/t15-,16+,17-,18+/s2
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18.3n/an/an/an/an/an/an/an/a



Beijing Normal University

Curated by ChEMBL


Assay Description
Displacement of [125I]IPT from DAT overexpressed in LLC-PK1 cell membrane by competitive binding assay


Bioorg Med Chem Lett 22: 4303-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.030
BindingDB Entry DOI: 10.7270/Q2XG9S50
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50497724
PNG
(CHEMBL3314329)
Show SMILES Clc1ccc(OCc2ccc(I)cc2)cc1
Show InChI InChI=1S/C13H10ClIO/c14-11-3-7-13(8-4-11)16-9-10-1-5-12(15)6-2-10/h1-8H,9H2
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19n/an/an/an/an/an/an/an/a



Beijing Normal University

Curated by ChEMBL


Assay Description
Displacement of [125I]1-Iodo-4-((4-methoxyphenoxy)methyl)benzene from 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))
BDBM50497724
PNG
(CHEMBL3314329)
Show SMILES Clc1ccc(OCc2ccc(I)cc2)cc1
Show InChI InChI=1S/C13H10ClIO/c14-11-3-7-13(8-4-11)16-9-10-1-5-12(15)6-2-10/h1-8H,9H2
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19n/an/an/an/an/an/an/an/a



Beijing Normal University

Curated by ChEMBL


Assay Description
Displacement of [125I]1-Iodo-4-((4-methoxyphenoxy)methyl)benzene from 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))
BDBM50481607
PNG
(CHEMBL598083)
Show SMILES CN1C(=O)c2ccc(Nc3ccc(O)cc3)cc2C1=O
Show InChI InChI=1S/C15H12N2O3/c1-17-14(19)12-7-4-10(8-13(12)15(17)20)16-9-2-5-11(18)6-3-9/h2-8,16,18H,1H3
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20n/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))
BDBM50500796
PNG
(CHEMBL3760007)
Show SMILES CN(C)c1ccc(OCc2ccc(OCCF)cc2)cc1
Show InChI InChI=1S/C17H20FNO2/c1-19(2)15-5-9-17(10-6-15)21-13-14-3-7-16(8-4-14)20-12-11-18/h3-10H,11-13H2,1-2H3
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21n/an/an/an/an/an/an/an/a



Beijing Normal University

Curated by ChEMBL


Assay Description
Displacement of [125I]BOB-4 from Amyloid beta (1 to 42) (unknown origin)


Eur J Med Chem 104: 86-96 (2015)

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


(Homo sapiens (Human))
BDBM50497740
PNG
(CHEMBL3314331)
Show SMILES Ic1ccc(COc2ccc(I)cc2)cc1
Show InChI InChI=1S/C13H10I2O/c14-11-3-1-10(2-4-11)9-16-13-7-5-12(15)6-8-13/h1-8H,9H2
PDB
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22n/an/an/an/an/an/an/an/a



Beijing Normal University

Curated by ChEMBL


Assay Description
Displacement of [125I]1-Iodo-4-((4-methoxyphenoxy)methyl)benzene from 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))
BDBM50497740
PNG
(CHEMBL3314331)
Show SMILES Ic1ccc(COc2ccc(I)cc2)cc1
Show InChI InChI=1S/C13H10I2O/c14-11-3-1-10(2-4-11)9-16-13-7-5-12(15)6-8-13/h1-8H,9H2
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22n/an/an/an/an/an/an/an/a



Beijing Normal University

Curated by ChEMBL


Assay Description
Displacement of [125I]1-Iodo-4-((4-methoxyphenoxy)methyl)benzene from 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))
BDBM50497737
PNG
(CHEMBL3314322)
Show SMILES COc1ccc(OCc2ccc(I)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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24n/an/an/an/an/an/an/an/a



Beijing Normal University

Curated by ChEMBL


Assay Description
Displacement of [125I]1-Iodo-4-((4-methoxyphenoxy)methyl)benzene from 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))
BDBM50497737
PNG
(CHEMBL3314322)
Show SMILES COc1ccc(OCc2ccc(I)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
PDB
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25n/an/an/an/an/an/an/an/a



Beijing Normal University

Curated by ChEMBL


Assay Description
Displacement of [125I]1-Iodo-4-((4-methoxyphenoxy)methyl)benzene from 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))
BDBM50500797
PNG
(CHEMBL3758709)
Show SMILES CN(C)c1ccc(COc2ccc(OCCF)cc2)cc1
Show InChI InChI=1S/C17H20FNO2/c1-19(2)15-5-3-14(4-6-15)13-21-17-9-7-16(8-10-17)20-12-11-18/h3-10H,11-13H2,1-2H3
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26n/an/an/an/an/an/an/an/a



Beijing Normal University

Curated by ChEMBL


Assay Description
Displacement of [125I]BOB-4 from Amyloid beta (1 to 42) (unknown origin)


Eur J Med Chem 104: 86-96 (2015)

More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50386911
PNG
(CHEMBL2048525)
Show SMILES CN(C)C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(Cl)cc1)N2CCCF
Show InChI InChI=1/C19H28ClFN2/c1-22(2)13-18-17(14-4-6-15(20)7-5-14)12-16-8-9-19(18)23(16)11-3-10-21/h4-7,16-19H,3,8-13H2,1-2H3/t16-,17+,18-,19+/s2
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26.9n/an/an/an/an/an/an/an/a



Beijing Normal University

Curated by ChEMBL


Assay Description
Displacement of [125I]IPT from DAT overexpressed in LLC-PK1 cell membrane by competitive binding assay


Bioorg Med Chem Lett 22: 4303-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.030
BindingDB Entry DOI: 10.7270/Q2XG9S50
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50492183
PNG
(CHEMBL2397721)
Show SMILES CN(CCF)c1ccc(cc1)-c1cc2ccccc2[nH]1
PDB
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28n/an/an/an/an/an/an/an/a



Beijing Normal University

Curated by ChEMBL


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


Bioorg Med Chem 21: 3708-14 (2013)

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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32n/an/an/an/an/an/an/an/a



Beijing Normal University

Curated by ChEMBL


Assay Description
Displacement of [125I]BOB-4 from Amyloid beta (1 to 42) (unknown origin)


Eur J Med Chem 104: 86-96 (2015)

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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32n/an/an/an/an/an/an/an/a



Beijing Normal University

Curated by ChEMBL


Assay Description
Displacement of [125I]1-Iodo-4-((4-methoxyphenoxy)methyl)benzene from 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))
BDBM50492186
PNG
(CHEMBL2397722)
Show SMILES CN(CCCF)c1ccc(cc1)-c1cc2ccccc2[nH]1
PDB
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32n/an/an/an/an/an/an/an/a



Beijing Normal University

Curated by ChEMBL


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


Bioorg Med Chem 21: 3708-14 (2013)

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
PDB
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32n/an/an/an/an/an/an/an/a



Beijing Normal University

Curated by ChEMBL


Assay Description
Displacement of [125I]1-Iodo-4-((4-methoxyphenoxy)methyl)benzene from 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))
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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39n/an/an/an/an/an/an/an/a



Beijing Normal University

Curated by ChEMBL


Assay Description
Displacement of [125I]1-Iodo-4-((4-methoxyphenoxy)methyl)benzene from 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))
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
PDB
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39n/an/an/an/an/an/an/an/a



Beijing Normal University

Curated by ChEMBL


Assay Description
Displacement of [125I]1-Iodo-4-((4-methoxyphenoxy)methyl)benzene from 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))
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
PDB
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39n/an/an/an/an/an/an/an/a



Beijing Normal University

Curated by ChEMBL


Assay Description
Displacement of [125I]BOB-4 from Amyloid beta (1 to 42) (unknown origin)


Eur J Med Chem 104: 86-96 (2015)

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


(Homo sapiens (Human))
BDBM50497725
PNG
(CHEMBL3314337)
Show SMILES CNc1ccc(OCc2ccc(I)cc2)cc1
Show InChI InChI=1S/C14H14INO/c1-16-13-6-8-14(9-7-13)17-10-11-2-4-12(15)5-3-11/h2-9,16H,10H2,1H3
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48n/an/an/an/an/an/an/an/a



Beijing Normal University

Curated by ChEMBL


Assay Description
Displacement of [125I]1-Iodo-4-((4-methoxyphenoxy)methyl)benzene from 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))
BDBM50497725
PNG
(CHEMBL3314337)
Show SMILES CNc1ccc(OCc2ccc(I)cc2)cc1
Show InChI InChI=1S/C14H14INO/c1-16-13-6-8-14(9-7-13)17-10-11-2-4-12(15)5-3-11/h2-9,16H,10H2,1H3
PDB
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48n/an/an/an/an/an/an/an/a



Beijing Normal University

Curated by ChEMBL


Assay Description
Displacement of [125I]1-Iodo-4-((4-methoxyphenoxy)methyl)benzene from 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))
BDBM50497723
PNG
(CHEMBL3314342)
Show SMILES COc1ccc(COc2ccc(I)cc2)cc1
Show InChI InChI=1S/C14H13IO2/c1-16-13-6-2-11(3-7-13)10-17-14-8-4-12(15)5-9-14/h2-9H,10H2,1H3
PDB
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49n/an/an/an/an/an/an/an/a



Beijing Normal University

Curated by ChEMBL


Assay Description
Displacement of [125I]1-Iodo-4-((4-methoxyphenoxy)methyl)benzene from 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))
BDBM50497723
PNG
(CHEMBL3314342)
Show SMILES COc1ccc(COc2ccc(I)cc2)cc1
Show InChI InChI=1S/C14H13IO2/c1-16-13-6-2-11(3-7-13)10-17-14-8-4-12(15)5-9-14/h2-9H,10H2,1H3
PDB
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49n/an/an/an/an/an/an/an/a



Beijing Normal University

Curated by ChEMBL


Assay Description
Displacement of [125I]1-Iodo-4-((4-methoxyphenoxy)methyl)benzene from 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))
BDBM50497727
PNG
(CHEMBL3314332)
Show SMILES Ic1ccc(COc2ccccc2)cc1
Show InChI InChI=1S/C13H11IO/c14-12-8-6-11(7-9-12)10-15-13-4-2-1-3-5-13/h1-9H,10H2
PDB
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79n/an/an/an/an/an/an/an/a



Beijing Normal University

Curated by ChEMBL


Assay Description
Displacement of [125I]1-Iodo-4-((4-methoxyphenoxy)methyl)benzene from 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))
BDBM50497727
PNG
(CHEMBL3314332)
Show SMILES Ic1ccc(COc2ccccc2)cc1
Show InChI InChI=1S/C13H11IO/c14-12-8-6-11(7-9-12)10-15-13-4-2-1-3-5-13/h1-9H,10H2
PDB
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79n/an/an/an/an/an/an/an/a



Beijing Normal University

Curated by ChEMBL


Assay Description
Displacement of [125I]1-Iodo-4-((4-methoxyphenoxy)methyl)benzene from 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))
BDBM50492182
PNG
(CHEMBL2397724)
Show SMILES CN(CCCF)c1ccc(cc1)-c1cc2ccccc2n1C
Show InChI InChI=1S/C19H21FN2/c1-21(13-5-12-20)17-10-8-15(9-11-17)19-14-16-6-3-4-7-18(16)22(19)2/h3-4,6-11,14H,5,12-13H2,1-2H3
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80n/an/an/an/an/an/an/an/a



Beijing Normal University

Curated by ChEMBL


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


Bioorg Med Chem 21: 3708-14 (2013)

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


(Homo sapiens (Human))
BDBM50497731
PNG
(CHEMBL3314328)
Show SMILES Fc1ccc(OCc2ccc(I)cc2)cc1
Show InChI InChI=1S/C13H10FIO/c14-11-3-7-13(8-4-11)16-9-10-1-5-12(15)6-2-10/h1-8H,9H2
PDB
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107n/an/an/an/an/an/an/an/a



Beijing Normal University

Curated by ChEMBL


Assay Description
Displacement of [125I]1-Iodo-4-((4-methoxyphenoxy)methyl)benzene from 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))
BDBM50497731
PNG
(CHEMBL3314328)
Show SMILES Fc1ccc(OCc2ccc(I)cc2)cc1
Show InChI InChI=1S/C13H10FIO/c14-11-3-7-13(8-4-11)16-9-10-1-5-12(15)6-2-10/h1-8H,9H2
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107n/an/an/an/an/an/an/an/a



Beijing Normal University

Curated by ChEMBL


Assay Description
Displacement of [125I]1-Iodo-4-((4-methoxyphenoxy)methyl)benzene from 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))
BDBM50497729
PNG
(CHEMBL3314325)
Show SMILES Oc1ccc(OCc2ccc(I)cc2)cc1
Show InChI InChI=1S/C13H11IO2/c14-11-3-1-10(2-4-11)9-16-13-7-5-12(15)6-8-13/h1-8,15H,9H2
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112n/an/an/an/an/an/an/an/a



Beijing Normal University

Curated by ChEMBL


Assay Description
Displacement of [125I]1-Iodo-4-((4-methoxyphenoxy)methyl)benzene from 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))
BDBM50497729
PNG
(CHEMBL3314325)
Show SMILES Oc1ccc(OCc2ccc(I)cc2)cc1
Show InChI InChI=1S/C13H11IO2/c14-11-3-1-10(2-4-11)9-16-13-7-5-12(15)6-8-13/h1-8,15H,9H2
PDB
MMDB

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KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
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PubMed
113n/an/an/an/an/an/an/an/a



Beijing Normal University

Curated by ChEMBL


Assay Description
Displacement of [125I]1-Iodo-4-((4-methoxyphenoxy)methyl)benzene from 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))
BDBM50492184
PNG
(CHEMBL2397723)
Show SMILES CN(CCF)c1ccc(cc1)-c1cc2ccccc2n1C
Show InChI InChI=1S/C18H19FN2/c1-20(12-11-19)16-9-7-14(8-10-16)18-13-15-5-3-4-6-17(15)21(18)2/h3-10,13H,11-12H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
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B.MOAD
DrugBank
GoogleScholar
UniChem
PubMed
117n/an/an/an/an/an/an/an/a



Beijing Normal University

Curated by ChEMBL


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


Bioorg Med Chem 21: 3708-14 (2013)

More data for this
Ligand-Target Pair
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