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Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with all data for entry = 50003872   
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))
BDBM50476855
PNG
(CHEMBL232112)
Show SMILES CNc1ccc(cc1)C#Cc1cnc(OCCO)c(Br)c1
Show InChI InChI=1S/C16H15BrN2O2/c1-18-14-6-4-12(5-7-14)2-3-13-10-15(17)16(19-11-13)21-9-8-20/h4-7,10-11,18,20H,8-9H2,1H3
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1.60n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 3581-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.062
BindingDB Entry DOI: 10.7270/Q2QZ2DQX
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50476850
PNG
(CHEMBL232114)
Show SMILES OCCOc1ncc(cc1I)C#Cc1ccc(O)cc1
Show InChI InChI=1S/C15H12INO3/c16-14-9-12(10-17-15(14)20-8-7-18)2-1-11-3-5-13(19)6-4-11/h3-6,9-10,18-19H,7-8H2
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6.20n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 3581-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.062
BindingDB Entry DOI: 10.7270/Q2QZ2DQX
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50476852
PNG
(CHEMBL231917)
Show SMILES CN(C)c1ccc(cc1)C#Cc1cnc(OCCO)c(Br)c1
Show InChI InChI=1S/C17H17BrN2O2/c1-20(2)15-7-5-13(6-8-15)3-4-14-11-16(18)17(19-12-14)22-10-9-21/h5-8,11-12,21H,9-10H2,1-2H3
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6.70n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 3581-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.062
BindingDB Entry DOI: 10.7270/Q2QZ2DQX
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50476848
PNG
(CHEMBL231916)
Show SMILES CN(C)c1ccc(cc1)C#Cc1cnc(OCCO)c(I)c1
Show InChI InChI=1S/C17H17IN2O2/c1-20(2)15-7-5-13(6-8-15)3-4-14-11-16(18)17(19-12-14)22-10-9-21/h5-8,11-12,21H,9-10H2,1-2H3
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9.20n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 3581-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.062
BindingDB Entry DOI: 10.7270/Q2QZ2DQX
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50476853
PNG
(CHEMBL398059)
Show SMILES CN(C)c1ccc(cc1)C#Cc1cnc(OCCOCCOCCF)c(Br)c1
Show InChI InChI=1S/C21H24BrFN2O3/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/h5-8,15-16H,9-14H2,1-2H3
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11n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 3581-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.062
BindingDB Entry DOI: 10.7270/Q2QZ2DQX
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50476851
PNG
(CHEMBL231918)
Show SMILES CNc1ccc(cc1)C#Cc1cnc(OCCOCCOCCF)c(Br)c1
Show InChI InChI=1S/C20H22BrFN2O3/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/h4-7,14-15,23H,8-13H2,1H3
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13n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 3581-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.062
BindingDB Entry DOI: 10.7270/Q2QZ2DQX
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50476854
PNG
(CHEMBL232113)
Show SMILES CNc1ccc(cc1)C#Cc1cnc(OCCO)c(I)c1
Show InChI InChI=1S/C16H15IN2O2/c1-18-14-6-4-12(5-7-14)2-3-13-10-15(17)16(19-11-13)21-9-8-20/h4-7,10-11,18,20H,8-9H2,1H3
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13n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 3581-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.062
BindingDB Entry DOI: 10.7270/Q2QZ2DQX
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50476849
PNG
(CHEMBL231915)
Show SMILES CN(C)c1ccc(cc1)C#Cc1cnc(OCCOCCOCCF)c(I)c1
Show InChI InChI=1S/C21H24FIN2O3/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/h5-8,15-16H,9-14H2,1-2H3
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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 beta amyloid plaque in human brain homogenates


Bioorg Med Chem Lett 17: 3581-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.062
BindingDB Entry DOI: 10.7270/Q2QZ2DQX
More data for this
Ligand-Target Pair