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Compile Data Set for Download or QSAR

Found 12 hits Enz. Inhib. hit(s) with all data for entry = 50037612   
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))
BDBM50173640
PNG
(4-[(E)-2-(4-Dimethylamino-phenyl)-vinyl]-phenol | ...)
Show SMILES CN(C)c1ccc(\C=C\c2ccc(O)cc2)cc1
Show InChI InChI=1S/C16H17NO/c1-17(2)15-9-5-13(6-10-15)3-4-14-7-11-16(18)12-8-14/h3-12,18H,1-2H3/b4-3+
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1.10n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition constant for I-125-IMPY binding to amyloid plaques in Alzheimers disease brain homogenates


J Med Chem 48: 5980-8 (2005)


Article DOI: 10.1021/jm050166g
BindingDB Entry DOI: 10.7270/Q2TB17PR
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50173647
PNG
((E)-4-(4-(methylamino)styryl)phenol | 4-(4-(methyl...)
Show SMILES CNc1ccc(\C=C\c2ccc(O)cc2)cc1
Show InChI InChI=1S/C15H15NO/c1-16-14-8-4-12(5-9-14)2-3-13-6-10-15(17)11-7-13/h2-11,16-17H,1H3/b3-2+
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1.20n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition constant for I-125-IMPY binding to amyloid plaques in Alzheimers disease brain homogenates


J Med Chem 48: 5980-8 (2005)


Article DOI: 10.1021/jm050166g
BindingDB Entry DOI: 10.7270/Q2TB17PR
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50129793
PNG
(2-(4''-methylaminophenyl)-6-hydroxybenzothiazole |...)
Show SMILES CNc1ccc(cc1)-c1nc2ccc(O)cc2s1
Show InChI InChI=1S/C14H12N2OS/c1-15-10-4-2-9(3-5-10)14-16-12-7-6-11(17)8-13(12)18-14/h2-8,15,17H,1H3
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2.80n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition constant for I-125-IMPY binding to amyloid plaques in Alzheimers disease brain homogenates


J Med Chem 48: 5980-8 (2005)


Article DOI: 10.1021/jm050166g
BindingDB Entry DOI: 10.7270/Q2TB17PR
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50422738
PNG
(CHEMBL567747)
Show SMILES CNc1ccc(\C=C\c2ccc(OCC(CO)CF)cc2)cc1
Show InChI InChI=1S/C19H22FNO2/c1-21-18-8-4-15(5-9-18)2-3-16-6-10-19(11-7-16)23-14-17(12-20)13-22/h2-11,17,21-22H,12-14H2,1H3/b3-2+
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5n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition constant for I-125-IMPY binding to amyloid plaques in Alzheimers disease brain homogenates


J Med Chem 48: 5980-8 (2005)


Article DOI: 10.1021/jm050166g
BindingDB Entry DOI: 10.7270/Q2TB17PR
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50370673
PNG
(CHEMBL1169460)
Show SMILES CN(C)c1ccc(\C=C\c2ccc(OCC(CO)CF)cc2)cc1
Show InChI InChI=1S/C20H24FNO2/c1-22(2)19-9-5-16(6-10-19)3-4-17-7-11-20(12-8-17)24-15-18(13-21)14-23/h3-12,18,23H,13-15H2,1-2H3/b4-3+
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15n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition constant for I-125-IMPY binding to amyloid plaques in Alzheimers disease brain homogenates


J Med Chem 48: 5980-8 (2005)


Article DOI: 10.1021/jm050166g
BindingDB Entry DOI: 10.7270/Q2TB17PR
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50173646
PNG
(3-{4-[(E)-2-(4-Amino-phenyl)-vinyl]-phenoxy}-2-flu...)
Show SMILES Nc1ccc(\C=C\c2ccc(OCC(CO)CF)cc2)cc1
Show InChI InChI=1S/C18H20FNO2/c19-11-16(12-21)13-22-18-9-5-15(6-10-18)2-1-14-3-7-17(20)8-4-14/h1-10,16,21H,11-13,20H2/b2-1+
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15n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition constant for I-125-IMPY binding to amyloid plaques in Alzheimers disease brain homogenates


J Med Chem 48: 5980-8 (2005)


Article DOI: 10.1021/jm050166g
BindingDB Entry DOI: 10.7270/Q2TB17PR
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50173642
PNG
(2-{4-[(E)-2-(4-Methylamino-phenyl)-vinyl]-phenoxym...)
Show SMILES CNc1ccc(\C=C\c2ccc(OCC(CO)CO)cc2)cc1
Show InChI InChI=1S/C19H23NO3/c1-20-18-8-4-15(5-9-18)2-3-16-6-10-19(11-7-16)23-14-17(12-21)13-22/h2-11,17,20-22H,12-14H2,1H3/b3-2+
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32.5n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition constant for I-125-IMPY binding to amyloid plaques in Alzheimers disease brain homogenates


J Med Chem 48: 5980-8 (2005)


Article DOI: 10.1021/jm050166g
BindingDB Entry DOI: 10.7270/Q2TB17PR
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50173643
PNG
(2-{4-[(E)-2-(4-Dimethylamino-phenyl)-vinyl]-phenox...)
Show SMILES CN(C)c1ccc(\C=C\c2ccc(OCC(CO)CO)cc2)cc1
Show InChI InChI=1S/C20H25NO3/c1-21(2)19-9-5-16(6-10-19)3-4-17-7-11-20(12-8-17)24-15-18(13-22)14-23/h3-12,18,22-23H,13-15H2,1-2H3/b4-3+
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38n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition constant for I-125-IMPY binding to amyloid plaques in Alzheimers disease brain homogenates


J Med Chem 48: 5980-8 (2005)


Article DOI: 10.1021/jm050166g
BindingDB Entry DOI: 10.7270/Q2TB17PR
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50173650
PNG
((4-{(E)-2-[4-(2,2-Dimethyl-[1,3]dioxan-5-ylmethoxy...)
Show SMILES CN(C)c1ccc(\C=C\c2ccc(OCC3COC(C)(C)OC3)cc2)cc1
Show InChI InChI=1S/C23H29NO3/c1-23(2)26-16-20(17-27-23)15-25-22-13-9-19(10-14-22)6-5-18-7-11-21(12-8-18)24(3)4/h5-14,20H,15-17H2,1-4H3/b6-5+
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59n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition constant for I-125-IMPY binding to amyloid plaques in Alzheimers disease brain homogenates


J Med Chem 48: 5980-8 (2005)


Article DOI: 10.1021/jm050166g
BindingDB Entry DOI: 10.7270/Q2TB17PR
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50173648
PNG
(2-(4-Bromo-benzyl)-3-{4-[(E)-2-(4-dimethylamino-ph...)
Show SMILES CN(C)c1ccc(\C=C\c2ccc(OCC(CO)Cc3ccc(Br)cc3)cc2)cc1
Show InChI InChI=1S/C26H28BrNO2/c1-28(2)25-13-7-20(8-14-25)3-4-21-9-15-26(16-10-21)30-19-23(18-29)17-22-5-11-24(27)12-6-22/h3-16,23,29H,17-19H2,1-2H3/b4-3+
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80n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition constant for I-125-IMPY binding to amyloid plaques in Alzheimers disease brain homogenates


J Med Chem 48: 5980-8 (2005)


Article DOI: 10.1021/jm050166g
BindingDB Entry DOI: 10.7270/Q2TB17PR
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50173649
PNG
(4-[(E)-2-(4-Amino-phenyl)-vinyl]-phenol | CHEMBL19...)
Show SMILES Nc1ccc(\C=C\c2ccc(O)cc2)cc1
Show InChI InChI=1S/C14H13NO/c15-13-7-3-11(4-8-13)1-2-12-5-9-14(16)10-6-12/h1-10,16H,15H2/b2-1+
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95n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition constant for I-125-IMPY binding to amyloid plaques in Alzheimers disease brain homogenates


J Med Chem 48: 5980-8 (2005)


Article DOI: 10.1021/jm050166g
BindingDB Entry DOI: 10.7270/Q2TB17PR
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50173645
PNG
(4-Methoxy-benzenesulfonic acid 3-{4-[(E)-2-(4-dime...)
Show SMILES COc1ccc(cc1)S(=O)(=O)OCC(CO)COc1ccc(\C=C\c2ccc(cc2)N(C)C)cc1
Show InChI InChI=1S/C27H31NO6S/c1-28(2)24-10-6-21(7-11-24)4-5-22-8-12-26(13-9-22)33-19-23(18-29)20-34-35(30,31)27-16-14-25(32-3)15-17-27/h4-17,23,29H,18-20H2,1-3H3/b5-4+
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150n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition constant for I-125-IMPY binding to amyloid plaques in Alzheimers disease brain homogenates


J Med Chem 48: 5980-8 (2005)


Article DOI: 10.1021/jm050166g
BindingDB Entry DOI: 10.7270/Q2TB17PR
More data for this
Ligand-Target Pair