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Compile Data Set for Download or QSAR

Found 15 hits Enz. Inhib. hit(s) with all data for entry = 50017170   
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
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM50178546
PNG
(4-(5-(4-(2-fluoroethylamino)phenyl)thiophen-2-yl)p...)
Show SMILES Oc1ccc(cc1)-c1ccc(s1)-c1ccc(NCCF)cc1
Show InChI InChI=1S/C18H16FNOS/c19-11-12-20-15-5-1-13(2-6-15)17-9-10-18(22-17)14-3-7-16(21)8-4-14/h1-10,20-21H,11-12H2
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3.90n/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 brain homogenates


Bioorg Med Chem Lett 16: 1350-2 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.055
BindingDB Entry DOI: 10.7270/Q2HX1C83
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM25849
PNG
(4-[5-(4-hydroxyphenyl)thiophen-2-yl]phenol | CHEMB...)
Show SMILES Oc1ccc(cc1)-c1ccc(s1)-c1ccc(O)cc1
Show InChI InChI=1S/C16H12O2S/c17-13-5-1-11(2-6-13)15-9-10-16(19-15)12-3-7-14(18)8-4-12/h1-10,17-18H
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4n/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 brain homogenates


Bioorg Med Chem Lett 16: 1350-2 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.055
BindingDB Entry DOI: 10.7270/Q2HX1C83
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM50178542
PNG
(4-(5-(4-methoxyphenyl)thiophen-2-yl)benzenamine | ...)
Show SMILES COc1ccc(cc1)-c1ccc(s1)-c1ccc(N)cc1
Show InChI InChI=1S/C17H15NOS/c1-19-15-8-4-13(5-9-15)17-11-10-16(20-17)12-2-6-14(18)7-3-12/h2-11H,18H2,1H3
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5.60n/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 brain homogenates


Bioorg Med Chem Lett 16: 1350-2 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.055
BindingDB Entry DOI: 10.7270/Q2HX1C83
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM50178547
PNG
(4-(5-(4-aminophenyl)thiophen-2-yl)benzenamine | CH...)
Show SMILES Nc1ccc(cc1)-c1ccc(s1)-c1ccc(N)cc1
Show InChI InChI=1S/C16H14N2S/c17-13-5-1-11(2-6-13)15-9-10-16(19-15)12-3-7-14(18)8-4-12/h1-10H,17-18H2
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6.10n/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 brain homogenates


Bioorg Med Chem Lett 16: 1350-2 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.055
BindingDB Entry DOI: 10.7270/Q2HX1C83
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM50178536
PNG
(4-(5-(4-methoxyphenyl)thiophen-2-yl)phenol | CHEMB...)
Show SMILES COc1ccc(cc1)-c1ccc(s1)-c1ccc(O)cc1
Show InChI InChI=1S/C17H14O2S/c1-19-15-8-4-13(5-9-15)17-11-10-16(20-17)12-2-6-14(18)7-3-12/h2-11,18H,1H3
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6.10n/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 brain homogenates


Bioorg Med Chem Lett 16: 1350-2 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.055
BindingDB Entry DOI: 10.7270/Q2HX1C83
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM50178538
PNG
(4-(5-(4-(dimethylamino)phenyl)thiophen-2-yl)phenol...)
Show SMILES CN(C)c1ccc(cc1)-c1ccc(s1)-c1ccc(O)cc1
Show InChI InChI=1S/C18H17NOS/c1-19(2)15-7-3-13(4-8-15)17-11-12-18(21-17)14-5-9-16(20)10-6-14/h3-12,20H,1-2H3
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7.5n/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 brain homogenates


Bioorg Med Chem Lett 16: 1350-2 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.055
BindingDB Entry DOI: 10.7270/Q2HX1C83
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM50178537
PNG
(4-(5-(4-aminophenyl)thiophen-2-yl)phenol | CHEMBL2...)
Show SMILES Nc1ccc(cc1)-c1ccc(s1)-c1ccc(O)cc1
Show InChI InChI=1S/C16H13NOS/c17-13-5-1-11(2-6-13)15-9-10-16(19-15)12-3-7-14(18)8-4-12/h1-10,18H,17H2
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9.60n/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 brain homogenates


Bioorg Med Chem Lett 16: 1350-2 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.055
BindingDB Entry DOI: 10.7270/Q2HX1C83
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM50178544
PNG
(2-(4-nitrophenyl)-5-(4-methoxyphenyl)thiophene | C...)
Show SMILES COc1ccc(cc1)-c1ccc(s1)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C17H13NO3S/c1-21-15-8-4-13(5-9-15)17-11-10-16(22-17)12-2-6-14(7-3-12)18(19)20/h2-11H,1H3
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19n/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 brain homogenates


Bioorg Med Chem Lett 16: 1350-2 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.055
BindingDB Entry DOI: 10.7270/Q2HX1C83
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM50178539
PNG
(CHEMBL202938 | N-(2-fluoroethyl)-4-(5-(4-methoxyph...)
Show SMILES COc1ccc(cc1)-c1ccc(s1)-c1ccc(NCCF)cc1
Show InChI InChI=1S/C19H18FNOS/c1-22-17-8-4-15(5-9-17)19-11-10-18(23-19)14-2-6-16(7-3-14)21-13-12-20/h2-11,21H,12-13H2,1H3
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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 beta amyloid plaque in brain homogenates


Bioorg Med Chem Lett 16: 1350-2 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.055
BindingDB Entry DOI: 10.7270/Q2HX1C83
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM50178534
PNG
(4-(5-(4-(methylamino)phenyl)thiophen-2-yl)phenol |...)
Show SMILES CNc1ccc(cc1)-c1ccc(s1)-c1ccc(O)cc1
Show InChI InChI=1S/C17H15NOS/c1-18-14-6-2-12(3-7-14)16-10-11-17(20-16)13-4-8-15(19)9-5-13/h2-11,18-19H,1H3
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31n/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 brain homogenates


Bioorg Med Chem Lett 16: 1350-2 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.055
BindingDB Entry DOI: 10.7270/Q2HX1C83
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM50178543
PNG
(2,5-bis(4-methoxyphenyl)thiophene | CHEMBL378797)
Show SMILES COc1ccc(cc1)-c1ccc(s1)-c1ccc(OC)cc1
Show InChI InChI=1S/C18H16O2S/c1-19-15-7-3-13(4-8-15)17-11-12-18(21-17)14-5-9-16(20-2)10-6-14/h3-12H,1-2H3
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108n/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 brain homogenates


Bioorg Med Chem Lett 16: 1350-2 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.055
BindingDB Entry DOI: 10.7270/Q2HX1C83
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM50178545
PNG
(2,5-bis(4-nitrophenyl)thiophene | CHEMBL202898)
Show SMILES [O-][N+](=O)c1ccc(cc1)-c1ccc(s1)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C16H10N2O4S/c19-17(20)13-5-1-11(2-6-13)15-9-10-16(23-15)12-3-7-14(8-4-12)18(21)22/h1-10H
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185n/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 brain homogenates


Bioorg Med Chem Lett 16: 1350-2 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.055
BindingDB Entry DOI: 10.7270/Q2HX1C83
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM50178535
PNG
(4-(5-(4-methoxyphenyl)thiophen-2-yl)-N,N-dimethylb...)
Show SMILES COc1ccc(cc1)-c1ccc(s1)-c1ccc(cc1)N(C)C
Show InChI InChI=1S/C19H19NOS/c1-20(2)16-8-4-14(5-9-16)18-12-13-19(22-18)15-6-10-17(21-3)11-7-15/h4-13H,1-3H3
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500n/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 brain homogenates


Bioorg Med Chem Lett 16: 1350-2 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.055
BindingDB Entry DOI: 10.7270/Q2HX1C83
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM50178541
PNG
(2,5-bis(2-methoxyphenyl)thiophene | CHEMBL204873)
Show SMILES COc1ccccc1-c1ccc(s1)-c1ccccc1OC
Show InChI InChI=1S/C18H16O2S/c1-19-15-9-5-3-7-13(15)17-11-12-18(21-17)14-8-4-6-10-16(14)20-2/h3-12H,1-2H3
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625n/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 brain homogenates


Bioorg Med Chem Lett 16: 1350-2 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.055
BindingDB Entry DOI: 10.7270/Q2HX1C83
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM50178540
PNG
(2,5-bis(4-(methylthio)phenyl)thiophene | CHEMBL424...)
Show SMILES CSc1ccc(cc1)-c1ccc(s1)-c1ccc(SC)cc1
Show InChI InChI=1S/C18H16S3/c1-19-15-7-3-13(4-8-15)17-11-12-18(21-17)14-5-9-16(20-2)10-6-14/h3-12H,1-2H3
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>1.00E+3n/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 brain homogenates


Bioorg Med Chem Lett 16: 1350-2 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.055
BindingDB Entry DOI: 10.7270/Q2HX1C83
More data for this
Ligand-Target Pair