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PubMed code 17411026

Compile data set for download or QSAR
Found 12 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))
BDBM50476276
PNG
(CHEMBL390561)
Show SMILES CN(C)c1ccc(\C=C\c2cnc(OCCO)c(Br)c2)cc1
Show InChI InChI=1S/C17H19BrN2O2/c1-20(2)15-7-5-13(6-8-15)3-4-14-11-16(18)17(19-12-14)22-10-9-21/h3-8,11-12,21H,9-10H2,1-2H3/b4-3+
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3.60n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Displacement of [15I]IMPY from Abeta peptide plaques in Alzheimer's disease patient brain


J Med Chem 50: 2157-65 (2007)


Article DOI: 10.1021/jm070025+
BindingDB Entry DOI: 10.7270/Q21N83WD
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50476283
PNG
(CHEMBL227921)
Show SMILES CNc1ccc(\C=C\c2cnc(OCCOCCOCCF)c(Br)c2)cc1
Show InChI InChI=1S/C20H24BrFN2O3/c1-23-18-6-4-16(5-7-18)2-3-17-14-19(21)20(24-15-17)27-13-12-26-11-10-25-9-8-22/h2-7,14-15,23H,8-13H2,1H3/b3-2+
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4.5n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Displacement of [15I]IMPY from Abeta peptide plaques in Alzheimer's disease patient brain


J Med Chem 50: 2157-65 (2007)


Article DOI: 10.1021/jm070025+
BindingDB Entry DOI: 10.7270/Q21N83WD
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50476279
PNG
(CHEMBL227817)
Show SMILES CNc1ccc(\C=C\c2cnc(OCCO)c(Br)c2)cc1
Show InChI InChI=1S/C16H17BrN2O2/c1-18-14-6-4-12(5-7-14)2-3-13-10-15(17)16(19-11-13)21-9-8-20/h2-7,10-11,18,20H,8-9H2,1H3/b3-2+
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5n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Displacement of [15I]IMPY from Abeta peptide plaques in Alzheimer's disease patient brain


J Med Chem 50: 2157-65 (2007)


Article DOI: 10.1021/jm070025+
BindingDB Entry DOI: 10.7270/Q21N83WD
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50476277
PNG
(CHEMBL1162947)
Show SMILES OCCOc1ncc(\C=C/c2ccc(O)cc2)cc1Br
Show InChI InChI=1S/C15H14BrNO3/c16-14-9-12(10-17-15(14)20-8-7-18)2-1-11-3-5-13(19)6-4-11/h1-6,9-10,18-19H,7-8H2/b2-1-
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6.80n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Displacement of [15I]IMPY from Abeta peptide plaques in Alzheimer's disease patient brain


J Med Chem 50: 2157-65 (2007)


Article DOI: 10.1021/jm070025+
BindingDB Entry DOI: 10.7270/Q21N83WD
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50476284
PNG
(CHEMBL227869)
Show SMILES CN(C)c1ccc(\C=C\c2cnc(OCCOCCOCCF)c(Br)c2)cc1
Show InChI InChI=1S/C21H26BrFN2O3/c1-25(2)19-7-5-17(6-8-19)3-4-18-15-20(22)21(24-16-18)28-14-13-27-12-11-26-10-9-23/h3-8,15-16H,9-14H2,1-2H3/b4-3+
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6.80n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Displacement of [15I]IMPY from Abeta peptide plaques in Alzheimer's disease patient brain


J Med Chem 50: 2157-65 (2007)


Article DOI: 10.1021/jm070025+
BindingDB Entry DOI: 10.7270/Q21N83WD
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50476280
PNG
(CHEMBL224148)
Show SMILES CN(C)c1ccc(\C=C\c2cnc(OCCO)c(I)c2)cc1
Show InChI InChI=1S/C17H19IN2O2/c1-20(2)15-7-5-13(6-8-15)3-4-14-11-16(18)17(19-12-14)22-10-9-21/h3-8,11-12,21H,9-10H2,1-2H3/b4-3+
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7.5n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Displacement of [15I]IMPY from Abeta peptide plaques in Alzheimer's disease patient brain


J Med Chem 50: 2157-65 (2007)


Article DOI: 10.1021/jm070025+
BindingDB Entry DOI: 10.7270/Q21N83WD
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50476282
PNG
(CHEMBL227750)
Show SMILES CN(C)c1ccc(\C=C\c2cnc(OCCOCCOCCF)c(I)c2)cc1
Show InChI InChI=1S/C21H26FIN2O3/c1-25(2)19-7-5-17(6-8-19)3-4-18-15-20(23)21(24-16-18)28-14-13-27-12-11-26-10-9-22/h3-8,15-16H,9-14H2,1-2H3/b4-3+
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7.5n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Displacement of [15I]IMPY from Abeta peptide plaques in Alzheimer's disease patient brain


J Med Chem 50: 2157-65 (2007)


Article DOI: 10.1021/jm070025+
BindingDB Entry DOI: 10.7270/Q21N83WD
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50476278
PNG
(CHEMBL224149)
Show SMILES CNc1ccc(\C=C\c2cnc(OCCO)c(I)c2)cc1
Show InChI InChI=1S/C16H17IN2O2/c1-18-14-6-4-12(5-7-14)2-3-13-10-15(17)16(19-11-13)21-9-8-20/h2-7,10-11,18,20H,8-9H2,1H3/b3-2+
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8.5n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Displacement of [15I]IMPY from Abeta peptide plaques in Alzheimer's disease patient brain


J Med Chem 50: 2157-65 (2007)


Article DOI: 10.1021/jm070025+
BindingDB Entry DOI: 10.7270/Q21N83WD
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50476274
PNG
(CHEMBL224147)
Show SMILES CNc1ccc(\C=C\c2cnc(OCCOCCOCCF)c(I)c2)cc1
Show InChI InChI=1S/C20H24FIN2O3/c1-23-18-6-4-16(5-7-18)2-3-17-14-19(22)20(24-15-17)27-13-12-26-11-10-25-9-8-21/h2-7,14-15,23H,8-13H2,1H3/b3-2+
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9n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Displacement of [15I]IMPY from Abeta peptide plaques in Alzheimer's disease patient brain


J Med Chem 50: 2157-65 (2007)


Article DOI: 10.1021/jm070025+
BindingDB Entry DOI: 10.7270/Q21N83WD
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50476275
PNG
(CHEMBL226662)
Show SMILES Oc1ccc(\C=C\c2cnc(OCCOCCOCCF)c(Br)c2)cc1
Show InChI InChI=1S/C19H21BrFNO4/c20-18-13-16(2-1-15-3-5-17(23)6-4-15)14-22-19(18)26-12-11-25-10-9-24-8-7-21/h1-6,13-14,23H,7-12H2/b2-1+
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14n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Displacement of [15I]IMPY from Abeta peptide plaques in Alzheimer's disease patient brain


J Med Chem 50: 2157-65 (2007)


Article DOI: 10.1021/jm070025+
BindingDB Entry DOI: 10.7270/Q21N83WD
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50476281
PNG
(CHEMBL227923)
Show SMILES OCCOc1ncc(\C=C\c2ccc(O)cc2)cc1I
Show InChI InChI=1S/C15H14INO3/c16-14-9-12(10-17-15(14)20-8-7-18)2-1-11-3-5-13(19)6-4-11/h1-6,9-10,18-19H,7-8H2/b2-1+
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16n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Displacement of [15I]IMPY from Abeta peptide plaques in Alzheimer's disease patient brain


J Med Chem 50: 2157-65 (2007)


Article DOI: 10.1021/jm070025+
BindingDB Entry DOI: 10.7270/Q21N83WD
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50476273
PNG
(CHEMBL228094)
Show SMILES Oc1ccc(\C=C\c2cnc(OCCOCCOCCF)c(I)c2)cc1
Show InChI InChI=1S/C19H21FINO4/c20-7-8-24-9-10-25-11-12-26-19-18(21)13-16(14-22-19)2-1-15-3-5-17(23)6-4-15/h1-6,13-14,23H,7-12H2/b2-1+
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21n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Displacement of [15I]IMPY from Abeta peptide plaques in Alzheimer's disease patient brain


J Med Chem 50: 2157-65 (2007)


Article DOI: 10.1021/jm070025+
BindingDB Entry DOI: 10.7270/Q21N83WD
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%