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PubMed code 26435514

Compile data set for download or QSAR
Found 11 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Amyloid-beta precursor protein


(Homo sapiens (Human))
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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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)


Article DOI: 10.1016/j.ejmech.2015.09.028
BindingDB Entry DOI: 10.7270/Q22R3VP8
More data for this
Ligand-Target Pair
Amyloid-beta precursor 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)


Article DOI: 10.1016/j.ejmech.2015.09.028
BindingDB Entry DOI: 10.7270/Q22R3VP8
More data for this
Ligand-Target Pair
Amyloid-beta precursor 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)


Article DOI: 10.1016/j.ejmech.2015.09.028
BindingDB Entry DOI: 10.7270/Q22R3VP8
More data for this
Ligand-Target Pair
Amyloid-beta precursor 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)


Article DOI: 10.1016/j.ejmech.2015.09.028
BindingDB Entry DOI: 10.7270/Q22R3VP8
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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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)


Article DOI: 10.1016/j.ejmech.2015.09.028
BindingDB Entry DOI: 10.7270/Q22R3VP8
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50500791
PNG
(CHEMBL3759263)
Show SMILES COc1ccc(COc2ccc(OCCF)cc2)cc1
Show InChI InChI=1S/C16H17FO3/c1-18-14-4-2-13(3-5-14)12-20-16-8-6-15(7-9-16)19-11-10-17/h2-9H,10-12H2,1H3
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119n/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)


Article DOI: 10.1016/j.ejmech.2015.09.028
BindingDB Entry DOI: 10.7270/Q22R3VP8
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50500792
PNG
(CHEMBL3758500)
Show SMILES COc1ccc(OCc2ccc(OCCF)cc2)cc1
Show InChI InChI=1S/C16H17FO3/c1-18-14-6-8-16(9-7-14)20-12-13-2-4-15(5-3-13)19-11-10-17/h2-9H,10-12H2,1H3
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153n/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)


Article DOI: 10.1016/j.ejmech.2015.09.028
BindingDB Entry DOI: 10.7270/Q22R3VP8
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50500793
PNG
(CHEMBL3758630)
Show SMILES CN(C)c1ccc(COc2ccc(OCCOCCF)cc2)cc1
Show InChI InChI=1S/C19H24FNO3/c1-21(2)17-5-3-16(4-6-17)15-24-19-9-7-18(8-10-19)23-14-13-22-12-11-20/h3-10H,11-15H2,1-2H3
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191n/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)


Article DOI: 10.1016/j.ejmech.2015.09.028
BindingDB Entry DOI: 10.7270/Q22R3VP8
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50500798
PNG
(CHEMBL3759510)
Show SMILES CN(C)c1ccc(COc2ccc(OCCOCCOCCF)cc2)cc1
Show InChI InChI=1S/C21H28FNO4/c1-23(2)19-5-3-18(4-6-19)17-27-21-9-7-20(8-10-21)26-16-15-25-14-13-24-12-11-22/h3-10H,11-17H2,1-2H3
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358n/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)


Article DOI: 10.1016/j.ejmech.2015.09.028
BindingDB Entry DOI: 10.7270/Q22R3VP8
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50500794
PNG
(CHEMBL3759176)
Show SMILES COc1ccc(COc2ccc(OCCOCCF)cc2)cc1
Show InChI InChI=1S/C18H21FO4/c1-20-16-4-2-15(3-5-16)14-23-18-8-6-17(7-9-18)22-13-12-21-11-10-19/h2-9H,10-14H2,1H3
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438n/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)


Article DOI: 10.1016/j.ejmech.2015.09.028
BindingDB Entry DOI: 10.7270/Q22R3VP8
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50500795
PNG
(CHEMBL3759854)
Show SMILES COc1ccc(COc2ccc(OCCOCCOCCF)cc2)cc1
Show InChI InChI=1S/C20H25FO5/c1-22-18-4-2-17(3-5-18)16-26-20-8-6-19(7-9-20)25-15-14-24-13-12-23-11-10-21/h2-9H,10-16H2,1H3
PDB
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770n/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)


Article DOI: 10.1016/j.ejmech.2015.09.028
BindingDB Entry DOI: 10.7270/Q22R3VP8
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%