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PubMed code 17447752

Compile data set for download or QSAR
Found 18 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))
BDBM50476303
PNG
(CHEMBL227521)
Show SMILES CNc1ccc(cc1)C#Cc1ccc(OCCOCCF)cc1
Show InChI InChI=1S/C19H20FNO2/c1-21-18-8-4-16(5-9-18)2-3-17-6-10-19(11-7-17)23-15-14-22-13-12-20/h4-11,21H,12-15H2,1H3
PDB
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1.20n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Displacement of [125I]IMPY from human beta amyloid plaque in brain homogenates


J Med Chem 50: 2415-23 (2007)


Article DOI: 10.1021/jm070090j
BindingDB Entry DOI: 10.7270/Q2S46VS2
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50476296
PNG
(CHEMBL228033)
Show SMILES CNc1ccc(cc1)C#Cc1ccc(O)cc1
Show InChI InChI=1S/C15H13NO/c1-16-14-8-4-12(5-9-14)2-3-13-6-10-15(17)11-7-13/h4-11,16-17H,1H3
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1.5n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Displacement of [125I]IMPY from human beta amyloid plaque in brain homogenates


J Med Chem 50: 2415-23 (2007)


Article DOI: 10.1021/jm070090j
BindingDB Entry DOI: 10.7270/Q2S46VS2
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50476293
PNG
(CHEMBL227495)
Show SMILES CNc1ccc(cc1)C#Cc1ccc(OCCOCCOCCF)cc1
Show InChI InChI=1S/C21H24FNO3/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/h4-11,23H,12-17H2,1H3
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1.90n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Displacement of [125I]IMPY from human beta amyloid plaque in brain homogenates


J Med Chem 50: 2415-23 (2007)


Article DOI: 10.1021/jm070090j
BindingDB Entry DOI: 10.7270/Q2S46VS2
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50476299
PNG
(CHEMBL228034)
Show SMILES COc1ccc(cc1)C#Cc1ccc(O)cc1
Show InChI InChI=1S/C15H12O2/c1-17-15-10-6-13(7-11-15)3-2-12-4-8-14(16)9-5-12/h4-11,16H,1H3
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2.90n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Displacement of [125I]IMPY from human beta amyloid plaque in brain homogenates


J Med Chem 50: 2415-23 (2007)


Article DOI: 10.1021/jm070090j
BindingDB Entry DOI: 10.7270/Q2S46VS2
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50476287
PNG
(CHEMBL224096)
Show SMILES CN(C)c1ccc(cc1)C#Cc1ccc(OCCOCCOCCF)cc1
Show InChI InChI=1S/C22H26FNO3/c1-24(2)21-9-5-19(6-10-21)3-4-20-7-11-22(12-8-20)27-18-17-26-16-15-25-14-13-23/h5-12H,13-18H2,1-2H3
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2.90n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Displacement of [125I]IMPY from human beta amyloid plaque in brain homogenates


J Med Chem 50: 2415-23 (2007)


Article DOI: 10.1021/jm070090j
BindingDB Entry DOI: 10.7270/Q2S46VS2
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50476298
PNG
(CHEMBL223285)
Show SMILES COc1ccc(cc1)C#Cc1ccc(N)cc1
Show InChI InChI=1S/C15H13NO/c1-17-15-10-6-13(7-11-15)3-2-12-4-8-14(16)9-5-12/h4-11H,16H2,1H3
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2.90n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Displacement of [125I]IMPY from human beta amyloid plaque in brain homogenates


J Med Chem 50: 2415-23 (2007)


Article DOI: 10.1021/jm070090j
BindingDB Entry DOI: 10.7270/Q2S46VS2
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50476292
PNG
(CHEMBL227577)
Show SMILES CNc1ccc(cc1)C#Cc1ccc(OCCOCCO)cc1
Show InChI InChI=1S/C19H21NO3/c1-20-18-8-4-16(5-9-18)2-3-17-6-10-19(11-7-17)23-15-14-22-13-12-21/h4-11,20-21H,12-15H2,1H3
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3.10n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Displacement of [125I]IMPY from human beta amyloid plaque in brain homogenates


J Med Chem 50: 2415-23 (2007)


Article DOI: 10.1021/jm070090j
BindingDB Entry DOI: 10.7270/Q2S46VS2
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50476301
PNG
(CHEMBL413436)
Show SMILES CN(C)c1ccc(cc1)C#Cc1ccc(OCCOCCOCCO)cc1
Show InChI InChI=1S/C22H27NO4/c1-23(2)21-9-5-19(6-10-21)3-4-20-7-11-22(12-8-20)27-18-17-26-16-15-25-14-13-24/h5-12,24H,13-18H2,1-2H3
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3.40n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Displacement of [125I]IMPY from human beta amyloid plaque in brain homogenates


J Med Chem 50: 2415-23 (2007)


Article DOI: 10.1021/jm070090j
BindingDB Entry DOI: 10.7270/Q2S46VS2
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50476300
PNG
(CHEMBL389671)
Show SMILES CN(C)c1ccc(cc1)C#Cc1ccc(OCCOCCO)cc1
Show InChI InChI=1S/C20H23NO3/c1-21(2)19-9-5-17(6-10-19)3-4-18-7-11-20(12-8-18)24-16-15-23-14-13-22/h5-12,22H,13-16H2,1-2H3
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3.80n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Displacement of [125I]IMPY from human beta amyloid plaque in brain homogenates


J Med Chem 50: 2415-23 (2007)


Article DOI: 10.1021/jm070090j
BindingDB Entry DOI: 10.7270/Q2S46VS2
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50476291
PNG
(CHEMBL227674)
Show SMILES CNc1ccc(cc1)C#Cc1ccc(OCCOCCOCCO)cc1
Show InChI InChI=1S/C21H25NO4/c1-22-20-8-4-18(5-9-20)2-3-19-6-10-21(11-7-19)26-17-16-25-15-14-24-13-12-23/h4-11,22-23H,12-17H2,1H3
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4.5n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Displacement of [125I]IMPY from human beta amyloid plaque in brain homogenates


J Med Chem 50: 2415-23 (2007)


Article DOI: 10.1021/jm070090j
BindingDB Entry DOI: 10.7270/Q2S46VS2
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50476297
PNG
(CHEMBL227576)
Show SMILES CN(C)c1ccc(cc1)C#Cc1ccc(OCCOCCF)cc1
Show InChI InChI=1S/C20H22FNO2/c1-22(2)19-9-5-17(6-10-19)3-4-18-7-11-20(12-8-18)24-16-15-23-14-13-21/h5-12H,13-16H2,1-2H3
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5n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Displacement of [125I]IMPY from human beta amyloid plaque in brain homogenates


J Med Chem 50: 2415-23 (2007)


Article DOI: 10.1021/jm070090j
BindingDB Entry DOI: 10.7270/Q2S46VS2
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50476288
PNG
(CHEMBL373663)
Show SMILES Nc1ccc(cc1)C#Cc1ccc(OCCOCCF)cc1
Show InChI InChI=1S/C18H18FNO2/c19-11-12-21-13-14-22-18-9-5-16(6-10-18)2-1-15-3-7-17(20)8-4-15/h3-10H,11-14,20H2
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12n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Displacement of [125I]IMPY from human beta amyloid plaque in brain homogenates


J Med Chem 50: 2415-23 (2007)


Article DOI: 10.1021/jm070090j
BindingDB Entry DOI: 10.7270/Q2S46VS2
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50476302
PNG
(CHEMBL227751)
Show SMILES Oc1ccc(cc1)C#Cc1ccc(OCCOCCOCCF)cc1
Show InChI InChI=1S/C20H21FO4/c21-11-12-23-13-14-24-15-16-25-20-9-5-18(6-10-20)2-1-17-3-7-19(22)8-4-17/h3-10,22H,11-16H2
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17n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Displacement of [125I]IMPY from human beta amyloid plaque in brain homogenates


J Med Chem 50: 2415-23 (2007)


Article DOI: 10.1021/jm070090j
BindingDB Entry DOI: 10.7270/Q2S46VS2
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50476286
PNG
(CHEMBL226610)
Show SMILES Nc1ccc(cc1)C#Cc1ccc(OCCOCCOCCF)cc1
Show InChI InChI=1S/C20H22FNO3/c21-11-12-23-13-14-24-15-16-25-20-9-5-18(6-10-20)2-1-17-3-7-19(22)8-4-17/h3-10H,11-16,22H2
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22n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Displacement of [125I]IMPY from human beta amyloid plaque in brain homogenates


J Med Chem 50: 2415-23 (2007)


Article DOI: 10.1021/jm070090j
BindingDB Entry DOI: 10.7270/Q2S46VS2
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50476294
PNG
(CHEMBL227752)
Show SMILES Nc1ccc(cc1)C#Cc1ccc(OCCOCCOCCO)cc1
Show InChI InChI=1S/C20H23NO4/c21-19-7-3-17(4-8-19)1-2-18-5-9-20(10-6-18)25-16-15-24-14-13-23-12-11-22/h3-10,22H,11-16,21H2
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68n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Displacement of [125I]IMPY from human beta amyloid plaque in brain homogenates


J Med Chem 50: 2415-23 (2007)


Article DOI: 10.1021/jm070090j
BindingDB Entry DOI: 10.7270/Q2S46VS2
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50476290
PNG
(CHEMBL227625)
Show SMILES Nc1ccc(cc1)C#Cc1ccc(N)cc1
Show InChI InChI=1S/C14H12N2/c15-13-7-3-11(4-8-13)1-2-12-5-9-14(16)10-6-12/h3-10H,15-16H2
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76n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Displacement of [125I]IMPY from human beta amyloid plaque in brain homogenates


J Med Chem 50: 2415-23 (2007)


Article DOI: 10.1021/jm070090j
BindingDB Entry DOI: 10.7270/Q2S46VS2
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50476295
PNG
(CHEMBL373548)
Show SMILES Nc1ccc(cc1)C#Cc1ccc(O)cc1
Show InChI InChI=1S/C14H11NO/c15-13-7-3-11(4-8-13)1-2-12-5-9-14(16)10-6-12/h3-10,16H,15H2
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106n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Displacement of [125I]IMPY from human beta amyloid plaque in brain homogenates


J Med Chem 50: 2415-23 (2007)


Article DOI: 10.1021/jm070090j
BindingDB Entry DOI: 10.7270/Q2S46VS2
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50476289
PNG
(CHEBI:51579 | DIPHENYLACETYLENE)
Show SMILES c1ccc(cc1)C#Cc1ccccc1
Show InChI InChI=1S/C14H10/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1-10H
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175n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Displacement of [125I]IMPY from human beta amyloid plaque in brain homogenates


J Med Chem 50: 2415-23 (2007)


Article DOI: 10.1021/jm070090j
BindingDB Entry DOI: 10.7270/Q2S46VS2
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%