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PubMed code 21145738

Compile data set for download or QSAR
Found 5 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))
BDBM50334369
PNG
(3-(4-(Dimethylamino)phenyl)-1-(4-iodophenyl)-2-pro...)
Show SMILES CN(C)c1ccc(cc1)C#CC(=O)c1ccc(I)cc1
Show InChI InChI=1S/C17H14INO/c1-19(2)16-10-3-13(4-11-16)5-12-17(20)14-6-8-15(18)9-7-14/h3-4,6-11H,1-2H3
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PubMed
6n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Displacement of [125I]DMIC from Amyloid beta (1 to 42) after 3 hrs by gamma counting


Bioorg Med Chem Lett 21: 117-20 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.058
BindingDB Entry DOI: 10.7270/Q2N87B2Z
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50334371
PNG
(3-(4-Methoxyphenyl)-1-(4-iodophenyl)-2-propyn-1-on...)
Show SMILES COc1ccc(cc1)C#CC(=O)c1ccc(I)cc1
Show InChI InChI=1S/C16H11IO2/c1-19-15-9-2-12(3-10-15)4-11-16(18)13-5-7-14(17)8-6-13/h2-3,5-10H,1H3
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PubMed
14n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Displacement of [125I]DMIC from Amyloid beta (1 to 42) after 3 hrs by gamma counting


Bioorg Med Chem Lett 21: 117-20 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.058
BindingDB Entry DOI: 10.7270/Q2N87B2Z
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50334370
PNG
(3-(4-(Dimethylamino)phenyl)-1-(4-fruorophenyl)-2-p...)
Show SMILES CN(C)c1ccc(cc1)C#CC(=O)c1ccc(F)cc1
Show InChI InChI=1S/C17H14FNO/c1-19(2)16-10-3-13(4-11-16)5-12-17(20)14-6-8-15(18)9-7-14/h3-4,6-11H,1-2H3
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20n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Displacement of [125I]DMIC from Amyloid beta (1 to 42) after 3 hrs by gamma counting


Bioorg Med Chem Lett 21: 117-20 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.058
BindingDB Entry DOI: 10.7270/Q2N87B2Z
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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PubMed
46n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Displacement of [125I]DMIC from Amyloid beta (1 to 42) after 3 hrs by gamma counting


Bioorg Med Chem Lett 21: 117-20 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.058
BindingDB Entry DOI: 10.7270/Q2N87B2Z
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50334372
PNG
(3-(4-Hydroxyphenyl)-1-(4-iodophenyl)-2-propyn-1-on...)
Show SMILES Oc1ccc(cc1)C#CC(=O)c1ccc(I)cc1
Show InChI InChI=1S/C15H9IO2/c16-13-6-4-12(5-7-13)15(18)10-3-11-1-8-14(17)9-2-11/h1-2,4-9,17H
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Article
PubMed
326n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Displacement of [125I]DMIC from Amyloid beta (1 to 42) after 3 hrs by gamma counting


Bioorg Med Chem Lett 21: 117-20 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.058
BindingDB Entry DOI: 10.7270/Q2N87B2Z
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%