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Compile Data Set for Download or QSAR

Found 12 hits Enz. Inhib. hit(s) with all data for assayid = 2 entry = 50017749   
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))
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
Displacement of [125I]2-(4'-dimethylaminophenyl)-6-iodoimidazo[1,2-a]pyridine from beta amyloid peptide in brain tissue at 50 uL


J Med Chem 49: 2841-4 (2006)


Article DOI: 10.1021/jm051020k
BindingDB Entry DOI: 10.7270/Q2Q23ZT9
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
Displacement of [125I]2-(4'-dimethylaminophenyl)-6-iodoimidazo[1,2-a]pyridine from beta amyloid peptide in brain tissue at 50 uL


J Med Chem 49: 2841-4 (2006)


Article DOI: 10.1021/jm051020k
BindingDB Entry DOI: 10.7270/Q2Q23ZT9
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50122787
PNG
(2-(4'-dimethylaminophenyl)-6-iodoimidazo[1,2-a]pyr...)
Show SMILES CN(C)c1ccc(cc1)-c1cn2cc(I)ccc2n1
Show InChI InChI=1S/C15H14IN3/c1-18(2)13-6-3-11(4-7-13)14-10-19-9-12(16)5-8-15(19)17-14/h3-10H,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]2-(4'-dimethylaminophenyl)-6-iodoimidazo[1,2-a]pyridine from beta amyloid peptide in brain tissue at 50 uL


J Med Chem 49: 2841-4 (2006)


Article DOI: 10.1021/jm051020k
BindingDB Entry DOI: 10.7270/Q2Q23ZT9
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50185991
PNG
(1,6-bis(4'-methylaminophenyl)-hexa-1,3,5-triene | ...)
Show SMILES CNc1ccc(\C=C\C=C\C=C\c2ccc(NC)cc2)cc1
Show InChI InChI=1S/C20H22N2/c1-21-19-13-9-17(10-14-19)7-5-3-4-6-8-18-11-15-20(22-2)16-12-18/h3-16,21-22H,1-2H3/b4-3+,7-5+,8-6+
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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]2-(4'-dimethylaminophenyl)-6-iodoimidazo[1,2-a]pyridine from beta amyloid peptide in brain tissue at 50 uL


J Med Chem 49: 2841-4 (2006)


Article DOI: 10.1021/jm051020k
BindingDB Entry DOI: 10.7270/Q2Q23ZT9
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50185992
PNG
(1,6-bis(4'-aminophenyl)-hexa-1,3,5-triene | CHEMBL...)
Show SMILES Nc1ccc(\C=C\C=C\C=C\c2ccc(N)cc2)cc1
Show InChI InChI=1S/C18H18N2/c19-17-11-7-15(8-12-17)5-3-1-2-4-6-16-9-13-18(20)14-10-16/h1-14H,19-20H2/b2-1+,5-3+,6-4+
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9n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Displacement of [125I]2-(4'-dimethylaminophenyl)-6-iodoimidazo[1,2-a]pyridine from beta amyloid peptide in brain tissue at 50 uL


J Med Chem 49: 2841-4 (2006)


Article DOI: 10.1021/jm051020k
BindingDB Entry DOI: 10.7270/Q2Q23ZT9
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50185986
PNG
(1,6-Bis(4'-hydroxyphenyl)-hexa-1,3,5-triene | CHEM...)
Show SMILES Oc1ccc(\C=C\C=C\C=C\c2ccc(O)cc2)cc1
Show InChI InChI=1S/C18H16O2/c19-17-11-7-15(8-12-17)5-3-1-2-4-6-16-9-13-18(20)14-10-16/h1-14,19-20H/b2-1+,5-3+,6-4+
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9n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Displacement of [125I]2-(4'-dimethylaminophenyl)-6-iodoimidazo[1,2-a]pyridine from beta amyloid peptide in brain tissue at 50 uL


J Med Chem 49: 2841-4 (2006)


Article DOI: 10.1021/jm051020k
BindingDB Entry DOI: 10.7270/Q2Q23ZT9
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50185993
PNG
(1-(4'-aminophenyl)-6-[4'-(2'-fluoroethylamino)phen...)
Show SMILES Nc1ccc(\C=C\C=C\C=C\c2ccc(NCCF)cc2)cc1
Show InChI InChI=1S/C20H21FN2/c21-15-16-23-20-13-9-18(10-14-20)6-4-2-1-3-5-17-7-11-19(22)12-8-17/h1-14,23H,15-16,22H2/b2-1+,5-3+,6-4+
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12n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Displacement of [125I]2-(4'-dimethylaminophenyl)-6-iodoimidazo[1,2-a]pyridine from beta amyloid peptide in brain tissue at 50 uL


J Med Chem 49: 2841-4 (2006)


Article DOI: 10.1021/jm051020k
BindingDB Entry DOI: 10.7270/Q2Q23ZT9
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50185987
PNG
(2-(1-(6-((2-fluoroethyl)(methyl)amino)naphthalen-2...)
Show SMILES [#6]-[#7](-[#6]-[#6]F)-c1ccc2cc(ccc2c1)-[#6](\[#6])=[#6](\C#N)C#N
Show InChI InChI=1S/C18H16FN3/c1-13(17(11-20)12-21)14-3-4-16-10-18(22(2)8-7-19)6-5-15(16)9-14/h3-6,9-10H,7-8H2,1-2H3
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152n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Displacement of [125I]2-(4'-dimethylaminophenyl)-6-iodoimidazo[1,2-a]pyridine from beta amyloid peptide in brain tissue at 50 uL


J Med Chem 49: 2841-4 (2006)


Article DOI: 10.1021/jm051020k
BindingDB Entry DOI: 10.7270/Q2Q23ZT9
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50185989
PNG
(1,6-bis(4'-nitrophenyl)-hexa-1,3,5-triene | CHEMBL...)
Show SMILES [O-][N+](=O)c1ccc(\C=C\C=C\C=C\c2ccc(cc2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C18H14N2O4/c21-19(22)17-11-7-15(8-12-17)5-3-1-2-4-6-16-9-13-18(14-10-16)20(23)24/h1-14H/b2-1+,5-3+,6-4+
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500n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Displacement of [125I]2-(4'-dimethylaminophenyl)-6-iodoimidazo[1,2-a]pyridine from beta amyloid peptide in brain tissue at 50 uL


J Med Chem 49: 2841-4 (2006)


Article DOI: 10.1021/jm051020k
BindingDB Entry DOI: 10.7270/Q2Q23ZT9
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50185990
PNG
(1,6-bis(4'-dimethylaminophenyl)-hexa-1,3,5-triene ...)
Show SMILES CN(C)c1ccc(\C=C\C=C\C=C\c2ccc(cc2)N(C)C)cc1
Show InChI InChI=1S/C22H26N2/c1-23(2)21-15-11-19(12-16-21)9-7-5-6-8-10-20-13-17-22(18-14-20)24(3)4/h5-18H,1-4H3/b6-5+,9-7+,10-8+
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837n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Displacement of [125I]2-(4'-dimethylaminophenyl)-6-iodoimidazo[1,2-a]pyridine from beta amyloid peptide in brain tissue at 50 uL


J Med Chem 49: 2841-4 (2006)


Article DOI: 10.1021/jm051020k
BindingDB Entry DOI: 10.7270/Q2Q23ZT9
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50100135
PNG
((E,E)-1-iodo-2,5-bis-(3-hydroxycarbonyl-4-methoxy)...)
Show SMILES COc1ccc(\C=C\c2ccc(\C=C\c3ccc(OC)c(c3)C(O)=O)c(I)c2)cc1C(O)=O
Show InChI InChI=1S/C26H21IO6/c1-32-23-11-7-16(13-20(23)25(28)29)3-4-18-6-10-19(22(27)15-18)9-5-17-8-12-24(33-2)21(14-17)26(30)31/h3-15H,1-2H3,(H,28,29)(H,30,31)/b4-3+,9-5+
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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]2-(4'-dimethylaminophenyl)-6-iodoimidazo[1,2-a]pyridine from beta amyloid peptide in brain tissue at 50 uL


J Med Chem 49: 2841-4 (2006)


Article DOI: 10.1021/jm051020k
BindingDB Entry DOI: 10.7270/Q2Q23ZT9
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50185988
PNG
(1,6-bis(4'-methoxyphenyl)-hexa-1,3,5-triene | CHEM...)
Show SMILES COc1ccc(\C=C\C=C\C=C\c2ccc(OC)cc2)cc1
Show InChI InChI=1S/C20H20O2/c1-21-19-13-9-17(10-14-19)7-5-3-4-6-8-18-11-15-20(22-2)16-12-18/h3-16H,1-2H3/b4-3+,7-5+,8-6+
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>4.00E+3n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Displacement of [125I]2-(4'-dimethylaminophenyl)-6-iodoimidazo[1,2-a]pyridine from beta amyloid peptide in brain tissue at 50 uL


J Med Chem 49: 2841-4 (2006)


Article DOI: 10.1021/jm051020k
BindingDB Entry DOI: 10.7270/Q2Q23ZT9
More data for this
Ligand-Target Pair