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Compile Data Set for Download or QSAR

Found 709 hits Enz. Inhib. hit(s) with Target = 'Beta amyloid A4 protein'   
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))
BDBM28960
PNG
((2R)-2-{[5-chloro-2-(hydroxymethyl)phenyl](4-chlor...)
Show SMILES CCCNC(=O)OC[C@@H](C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H24Cl2N2O5S/c1-3-10-23-20(26)29-13-14(2)24(19-11-17(22)5-4-15(19)12-25)30(27,28)18-8-6-16(21)7-9-18/h4-9,11,14,25H,3,10,12-13H2,1-2H3,(H,23,26)/t14-/m1/s1
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n/an/an/an/a 100n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro effective concentration against beta amyloid protein 40 in ELISA


Bioorg Med Chem Lett 15: 1891-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.006
BindingDB Entry DOI: 10.7270/Q2N879B4
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM50305469
PNG
(CHEMBL590830 | N-(3-(2-amino-4-cyclohexyl-1-methyl...)
Show SMILES CN1C(N)=NC(C2CCCCC2)(C1=O)c1cccc(NC(=O)c2occc2C)c1
Show InChI InChI=1S/C22H26N4O3/c1-14-11-12-29-18(14)19(27)24-17-10-6-9-16(13-17)22(15-7-4-3-5-8-15)20(28)26(2)21(23)25-22/h6,9-13,15H,3-5,7-8H2,1-2H3,(H2,23,25)(H,24,27)
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n/an/an/an/a 180n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant APP expressed in CHO-K1 cells assessed as reduction of amyloid beta level by ELISA


Bioorg Med Chem Lett 20: 632-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.052
BindingDB Entry DOI: 10.7270/Q20Z73BN
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM50314993
PNG
(2-(2-amino-6-((2-(2-chlorophenyl)-5-(4-(pyrimidin-...)
Show SMILES Nc1nc(Cn2c(ccc2-c2ccccc2Cl)-c2ccc(Oc3cncnc3)cc2)ccc1NCCO
Show InChI InChI=1S/C28H25ClN6O2/c29-24-4-2-1-3-23(24)27-12-11-26(19-5-8-21(9-6-19)37-22-15-31-18-32-16-22)35(27)17-20-7-10-25(28(30)34-20)33-13-14-36/h1-12,15-16,18,33,36H,13-14,17H2,(H2,30,34)
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n/an/an/an/a 190n/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human recombinant APP in CHO cells assessed as decrease in beta amyloid protein level by ELISA


Bioorg Med Chem Lett 20: 2068-73 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.075
BindingDB Entry DOI: 10.7270/Q2PG1RWS
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM50314994
PNG
(2-(2-amino-6-((2-(2-chlorophenyl)-5-(4-(pyrimidin-...)
Show SMILES Nc1nc(Cn2c(ccc2-c2ccccc2Cl)-c2ccc(Oc3cncnc3)cc2)ccc1OCCO
Show InChI InChI=1S/C28H24ClN5O3/c29-24-4-2-1-3-23(24)26-11-10-25(19-5-8-21(9-6-19)37-22-15-31-18-32-16-22)34(26)17-20-7-12-27(28(30)33-20)36-14-13-35/h1-12,15-16,18,35H,13-14,17H2,(H2,30,33)
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n/an/an/an/a 440n/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human recombinant APP in CHO cells assessed as decrease in beta amyloid protein level by ELISA


Bioorg Med Chem Lett 20: 2068-73 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.075
BindingDB Entry DOI: 10.7270/Q2PG1RWS
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM50163996
PNG
(4-(4-Chloro-benzenesulfonyl)-4-(2-methoxy-phenyl)-...)
Show SMILES CCOC(=O)N1CCC(CC1)(c1ccccc1OC)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H24ClNO5S/c1-3-28-20(24)23-14-12-21(13-15-23,18-6-4-5-7-19(18)27-2)29(25,26)17-10-8-16(22)9-11-17/h4-11H,3,12-15H2,1-2H3
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n/an/an/an/a 530n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro reduction of Swedish NL mutant amyloid precursor protein activity expressed in CHO cells


Bioorg Med Chem Lett 15: 1891-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.006
BindingDB Entry DOI: 10.7270/Q2N879B4
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM50163996
PNG
(4-(4-Chloro-benzenesulfonyl)-4-(2-methoxy-phenyl)-...)
Show SMILES CCOC(=O)N1CCC(CC1)(c1ccccc1OC)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H24ClNO5S/c1-3-28-20(24)23-14-12-21(13-15-23,18-6-4-5-7-19(18)27-2)29(25,26)17-10-8-16(22)9-11-17/h4-11H,3,12-15H2,1-2H3
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n/an/an/an/a 640n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro elevation of beta C-terminal fragment (Ct-99) in CHO cells expressing mutant Swedish NL human APP


Bioorg Med Chem Lett 15: 1891-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.006
BindingDB Entry DOI: 10.7270/Q2N879B4
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM50305467
PNG
(2-amino-4-cyclohexyl-1-methyl-4-phenyl-1H-imidazol...)
Show SMILES CN1C(N)=NC(C2CCCCC2)(C1=O)c1ccccc1
Show InChI InChI=1S/C16H21N3O/c1-19-14(20)16(18-15(19)17,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2,4-5,8-9,13H,3,6-7,10-11H2,1H3,(H2,17,18)
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n/an/an/an/a 810n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant APP expressed in CHO-K1 cells assessed as reduction of amyloid beta level by ELISA


Bioorg Med Chem Lett 20: 632-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.052
BindingDB Entry DOI: 10.7270/Q20Z73BN
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM50163996
PNG
(4-(4-Chloro-benzenesulfonyl)-4-(2-methoxy-phenyl)-...)
Show SMILES CCOC(=O)N1CCC(CC1)(c1ccccc1OC)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H24ClNO5S/c1-3-28-20(24)23-14-12-21(13-15-23,18-6-4-5-7-19(18)27-2)29(25,26)17-10-8-16(22)9-11-17/h4-11H,3,12-15H2,1-2H3
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n/an/an/an/a 1.03E+3n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibition of amyloid precursor protein 695 activity in CHO cells expressing human APP


Bioorg Med Chem Lett 15: 1891-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.006
BindingDB Entry DOI: 10.7270/Q2N879B4
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM50305483
PNG
(2-amino-4,4-dicyclohexyl-1-methyl-1H-imidazol-5(4H...)
Show SMILES CN1C(N)=NC(C2CCCCC2)(C2CCCCC2)C1=O
Show InChI InChI=1S/C16H27N3O/c1-19-14(20)16(18-15(19)17,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h12-13H,2-11H2,1H3,(H2,17,18)
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n/an/an/an/a 1.03E+3n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant APP expressed in CHO-K1 cells assessed as reduction of amyloid beta level by ELISA


Bioorg Med Chem Lett 20: 632-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.052
BindingDB Entry DOI: 10.7270/Q20Z73BN
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM50315005
PNG
(6-((2-(2-chlorophenyl)-5-(4-(pentyloxy)phenyl)-1H-...)
Show SMILES CCCCCOc1ccc(cc1)-c1ccc(-c2ccccc2Cl)n1Cc1cccc(N)n1
Show InChI InChI=1S/C27H28ClN3O/c1-2-3-6-18-32-22-14-12-20(13-15-22)25-16-17-26(23-9-4-5-10-24(23)28)31(25)19-21-8-7-11-27(29)30-21/h4-5,7-17H,2-3,6,18-19H2,1H3,(H2,29,30)
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n/an/an/an/a 2.10E+3n/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human recombinant APP in CHO cells assessed as decrease in beta amyloid protein level by ELISA


Bioorg Med Chem Lett 20: 2068-73 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.075
BindingDB Entry DOI: 10.7270/Q2PG1RWS
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM50315000
PNG
(6-((2-(2-chlorophenyl)-5-(4-(pyrimidin-5-yloxy)phe...)
Show SMILES Nc1cccc(Cn2c(ccc2-c2ccccc2Cl)-c2ccc(Oc3cncnc3)cc2)n1
Show InChI InChI=1S/C26H20ClN5O/c27-23-6-2-1-5-22(23)25-13-12-24(32(25)16-19-4-3-7-26(28)31-19)18-8-10-20(11-9-18)33-21-14-29-17-30-15-21/h1-15,17H,16H2,(H2,28,31)
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n/an/an/an/a 2.20E+3n/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human recombinant APP in CHO cells assessed as decrease in beta amyloid protein level by ELISA


Bioorg Med Chem Lett 20: 2068-73 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.075
BindingDB Entry DOI: 10.7270/Q2PG1RWS
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM50163999
PNG
(4-(4-Chloro-benzenesulfonyl)-4-o-tolyl-piperidine-...)
Show SMILES CCOC(=O)N1CCC(CC1)(c1ccccc1C)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H24ClNO4S/c1-3-27-20(24)23-14-12-21(13-15-23,19-7-5-4-6-16(19)2)28(25,26)18-10-8-17(22)9-11-18/h4-11H,3,12-15H2,1-2H3
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n/an/an/an/a 2.70E+3n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro effective concentration against beta amyloid protein 40 in ELISA


Bioorg Med Chem Lett 15: 1891-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.006
BindingDB Entry DOI: 10.7270/Q2N879B4
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM50314995
PNG
(2-(2-amino-6-((2-(2-chlorophenyl)-5-(4-(pentyloxy)...)
Show SMILES CCCCCOc1ccc(cc1)-c1ccc(-c2ccccc2Cl)n1Cc1ccc(NCCO)c(N)n1
Show InChI InChI=1S/C29H33ClN4O2/c1-2-3-6-19-36-23-12-9-21(10-13-23)27-15-16-28(24-7-4-5-8-25(24)30)34(27)20-22-11-14-26(29(31)33-22)32-17-18-35/h4-5,7-16,32,35H,2-3,6,17-20H2,1H3,(H2,31,33)
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n/an/an/an/a 3.20E+3n/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human recombinant APP in CHO cells assessed as decrease in beta amyloid protein level by ELISA


Bioorg Med Chem Lett 20: 2068-73 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.075
BindingDB Entry DOI: 10.7270/Q2PG1RWS
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM50163996
PNG
(4-(4-Chloro-benzenesulfonyl)-4-(2-methoxy-phenyl)-...)
Show SMILES CCOC(=O)N1CCC(CC1)(c1ccccc1OC)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H24ClNO5S/c1-3-28-20(24)23-14-12-21(13-15-23,18-6-4-5-7-19(18)27-2)29(25,26)17-10-8-16(22)9-11-17/h4-11H,3,12-15H2,1-2H3
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n/an/an/an/a 3.50E+3n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro effective concentration against beta amyloid protein 40 in ELISA


Bioorg Med Chem Lett 15: 1891-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.006
BindingDB Entry DOI: 10.7270/Q2N879B4
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM50163999
PNG
(4-(4-Chloro-benzenesulfonyl)-4-o-tolyl-piperidine-...)
Show SMILES CCOC(=O)N1CCC(CC1)(c1ccccc1C)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H24ClNO4S/c1-3-27-20(24)23-14-12-21(13-15-23,19-7-5-4-6-16(19)2)28(25,26)18-10-8-17(22)9-11-18/h4-11H,3,12-15H2,1-2H3
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n/an/an/an/a 3.70E+3n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro effective concentration against beta amyloid protein 42 in ELISA


Bioorg Med Chem Lett 15: 1891-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.006
BindingDB Entry DOI: 10.7270/Q2N879B4
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM50300229
PNG
(1-methyl-4,4-diphenyl-4,5-dihydro-1H-imidazol-2-am...)
Show SMILES CN1C(N)=NC(C1=O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C16H15N3O/c1-19-14(20)16(18-15(19)17,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3,(H2,17,18)
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n/an/an/an/a 4.17E+3n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant APP expressed in CHO-K1 cells assessed as reduction of amyloid beta level by ELISA


Bioorg Med Chem Lett 20: 632-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.052
BindingDB Entry DOI: 10.7270/Q20Z73BN
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM50315001
PNG
(6-((2-(2-chlorophenyl)-5-(4-(pyridin-4-yloxy)pheny...)
Show SMILES Nc1cccc(Cn2c(ccc2-c2ccccc2Cl)-c2ccc(Oc3ccncc3)cc2)n1
Show InChI InChI=1S/C27H21ClN4O/c28-24-6-2-1-5-23(24)26-13-12-25(32(26)18-20-4-3-7-27(29)31-20)19-8-10-21(11-9-19)33-22-14-16-30-17-15-22/h1-17H,18H2,(H2,29,31)
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n/an/an/an/a 4.80E+3n/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human recombinant APP in CHO cells assessed as decrease in beta amyloid protein level by ELISA


Bioorg Med Chem Lett 20: 2068-73 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.075
BindingDB Entry DOI: 10.7270/Q2PG1RWS
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM50315003
PNG
(CHEMBL1092227 | N-allyl-4-(1-((6-aminopyridin-2-yl...)
Show SMILES Nc1cccc(Cn2c(ccc2-c2ccc(cc2)C(=O)NCC=C)-c2ccccc2)n1
Show InChI InChI=1S/C26H24N4O/c1-2-17-28-26(31)21-13-11-20(12-14-21)24-16-15-23(19-7-4-3-5-8-19)30(24)18-22-9-6-10-25(27)29-22/h2-16H,1,17-18H2,(H2,27,29)(H,28,31)
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n/an/an/an/a 4.80E+3n/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human recombinant APP in CHO cells assessed as decrease in beta amyloid protein level by ELISA


Bioorg Med Chem Lett 20: 2068-73 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.075
BindingDB Entry DOI: 10.7270/Q2PG1RWS
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM50163996
PNG
(4-(4-Chloro-benzenesulfonyl)-4-(2-methoxy-phenyl)-...)
Show SMILES CCOC(=O)N1CCC(CC1)(c1ccccc1OC)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H24ClNO5S/c1-3-28-20(24)23-14-12-21(13-15-23,18-6-4-5-7-19(18)27-2)29(25,26)17-10-8-16(22)9-11-17/h4-11H,3,12-15H2,1-2H3
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n/an/an/an/a 5.00E+3n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro effective concentration against beta amyloid protein 42 in ELISA


Bioorg Med Chem Lett 15: 1891-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.006
BindingDB Entry DOI: 10.7270/Q2N879B4
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM50315004
PNG
(4-(4-(1-((6-aminopyridin-2-yl)methyl)-5-(2-chlorop...)
Show SMILES Nc1cccc(Cn2c(ccc2-c2ccccc2Cl)-c2ccc(OCCCC#N)cc2)n1
Show InChI InChI=1S/C26H23ClN4O/c27-23-8-2-1-7-22(23)25-15-14-24(31(25)18-20-6-5-9-26(29)30-20)19-10-12-21(13-11-19)32-17-4-3-16-28/h1-2,5-15H,3-4,17-18H2,(H2,29,30)
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n/an/an/an/a 5.20E+3n/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human recombinant APP in CHO cells assessed as decrease in beta amyloid protein level by ELISA


Bioorg Med Chem Lett 20: 2068-73 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.075
BindingDB Entry DOI: 10.7270/Q2PG1RWS
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM50314997
PNG
(CHEMBL1093806 | N-(4-(1-((6-aminopyridin-2-yl)meth...)
Show SMILES Nc1cccc(Cn2c(ccc2-c2ccccc2Cl)-c2ccc(Nc3cncnc3)cc2)n1
Show InChI InChI=1S/C26H21ClN6/c27-23-6-2-1-5-22(23)25-13-12-24(33(25)16-20-4-3-7-26(28)32-20)18-8-10-19(11-9-18)31-21-14-29-17-30-15-21/h1-15,17,31H,16H2,(H2,28,32)
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n/an/an/an/a 8.60E+3n/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human recombinant APP in CHO cells assessed as decrease in beta amyloid protein level by ELISA


Bioorg Med Chem Lett 20: 2068-73 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.075
BindingDB Entry DOI: 10.7270/Q2PG1RWS
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM50315002
PNG
(6-((2-(2-chlorophenyl)-5-(4-phenoxyphenyl)-1H-pyrr...)
Show SMILES Nc1cccc(Cn2c(ccc2-c2ccccc2Cl)-c2ccc(Oc3ccccc3)cc2)n1
Show InChI InChI=1S/C28H22ClN3O/c29-25-11-5-4-10-24(25)27-18-17-26(32(27)19-21-7-6-12-28(30)31-21)20-13-15-23(16-14-20)33-22-8-2-1-3-9-22/h1-18H,19H2,(H2,30,31)
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n/an/an/an/a 9.20E+3n/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human recombinant APP in CHO cells assessed as decrease in beta amyloid protein level by ELISA


Bioorg Med Chem Lett 20: 2068-73 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.075
BindingDB Entry DOI: 10.7270/Q2PG1RWS
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM50314998
PNG
(6-((2-(2-chlorophenyl)-5-(4-(thiophen-2-yloxy)phen...)
Show SMILES Nc1cccc(Cn2c(ccc2-c2ccccc2Cl)-c2ccc(Oc3cccs3)cc2)n1
Show InChI InChI=1S/C26H20ClN3OS/c27-22-7-2-1-6-21(22)24-15-14-23(30(24)17-19-5-3-8-25(28)29-19)18-10-12-20(13-11-18)31-26-9-4-16-32-26/h1-16H,17H2,(H2,28,29)
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n/an/an/an/a 1.18E+4n/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human recombinant APP in CHO cells assessed as decrease in beta amyloid protein level by ELISA


Bioorg Med Chem Lett 20: 2068-73 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.075
BindingDB Entry DOI: 10.7270/Q2PG1RWS
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM28961
PNG
(CHEMBL180641 | ethyl 4-[(4-chlorobenzene)sulfonyl]...)
Show SMILES CCOC(=O)N1CCC(CC1)(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H22ClNO4S/c1-2-26-19(23)22-14-12-20(13-15-22,16-6-4-3-5-7-16)27(24,25)18-10-8-17(21)9-11-18/h3-11H,2,12-15H2,1H3
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n/an/an/an/a 1.22E+4n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro effective concentration against beta amyloid protein 40 in ELISA


Bioorg Med Chem Lett 15: 1891-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.006
BindingDB Entry DOI: 10.7270/Q2N879B4
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM50314999
PNG
(6-((2-(2-chlorophenyl)-5-(4-(pyrazin-2-yloxy)pheny...)
Show SMILES Nc1cccc(Cn2c(ccc2-c2ccccc2Cl)-c2ccc(Oc3cnccn3)cc2)n1
Show InChI InChI=1S/C26H20ClN5O/c27-22-6-2-1-5-21(22)24-13-12-23(32(24)17-19-4-3-7-25(28)31-19)18-8-10-20(11-9-18)33-26-16-29-14-15-30-26/h1-16H,17H2,(H2,28,31)
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n/an/an/an/a 1.33E+4n/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human recombinant APP in CHO cells assessed as decrease in beta amyloid protein level by ELISA


Bioorg Med Chem Lett 20: 2068-73 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.075
BindingDB Entry DOI: 10.7270/Q2PG1RWS
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM50314996
PNG
(2-(2-amino-6-((2-(2-chlorophenyl)-5-(4-(pentyloxy)...)
Show SMILES CCCCCOc1ccc(cc1)-c1ccc(-c2ccccc2Cl)n1Cc1ccc(OCCO)c(N)n1
Show InChI InChI=1S/C29H32ClN3O3/c1-2-3-6-18-35-23-12-9-21(10-13-23)26-14-15-27(24-7-4-5-8-25(24)30)33(26)20-22-11-16-28(29(31)32-22)36-19-17-34/h4-5,7-16,34H,2-3,6,17-20H2,1H3,(H2,31,32)
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n/an/an/an/a 1.36E+4n/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human recombinant APP in CHO cells assessed as decrease in beta amyloid protein level by ELISA


Bioorg Med Chem Lett 20: 2068-73 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.075
BindingDB Entry DOI: 10.7270/Q2PG1RWS
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM50315007
PNG
(6-((2,5-diphenyl-1H-pyrrol-1-yl)methyl)pyridin-2-a...)
Show SMILES Nc1cccc(Cn2c(ccc2-c2ccccc2)-c2ccccc2)n1
Show InChI InChI=1S/C22H19N3/c23-22-13-7-12-19(24-22)16-25-20(17-8-3-1-4-9-17)14-15-21(25)18-10-5-2-6-11-18/h1-15H,16H2,(H2,23,24)
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n/an/an/an/a 1.54E+4n/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human recombinant APP in CHO cells assessed as decrease in beta amyloid protein level by ELISA


Bioorg Med Chem Lett 20: 2068-73 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.075
BindingDB Entry DOI: 10.7270/Q2PG1RWS
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM50300710
PNG
(8,8-diphenyl-2,3,4,8-tetrahydroimidazo[1,5-a]pyrim...)
Show SMILES NC1=NC(C2=NCCCN12)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C18H18N4/c19-17-21-18(14-8-3-1-4-9-14,15-10-5-2-6-11-15)16-20-12-7-13-22(16)17/h1-6,8-11H,7,12-13H2,(H2,19,21)
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n/an/an/an/a 1.60E+4n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant APP expressed in CHO-K1 cells assessed as reduction of amyloid beta level by ELISA


Bioorg Med Chem Lett 20: 632-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.052
BindingDB Entry DOI: 10.7270/Q20Z73BN
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM50315006
PNG
(6-((2-(2-chlorophenyl)-5-(4-methoxyphenyl)-1H-pyrr...)
Show SMILES COc1ccc(cc1)-c1ccc(-c2ccccc2Cl)n1Cc1cccc(N)n1
Show InChI InChI=1S/C23H20ClN3O/c1-28-18-11-9-16(10-12-18)21-13-14-22(19-6-2-3-7-20(19)24)27(21)15-17-5-4-8-23(25)26-17/h2-14H,15H2,1H3,(H2,25,26)
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n/an/an/an/a 1.60E+4n/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human recombinant APP in CHO cells assessed as decrease in beta amyloid protein level by ELISA


Bioorg Med Chem Lett 20: 2068-73 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.075
BindingDB Entry DOI: 10.7270/Q2PG1RWS
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM28961
PNG
(CHEMBL180641 | ethyl 4-[(4-chlorobenzene)sulfonyl]...)
Show SMILES CCOC(=O)N1CCC(CC1)(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H22ClNO4S/c1-2-26-19(23)22-14-12-20(13-15-22,16-6-4-3-5-7-16)27(24,25)18-10-8-17(21)9-11-18/h3-11H,2,12-15H2,1H3
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n/an/an/an/a 2.09E+4n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro effective concentration against beta amyloid protein 42 in ELISA


Bioorg Med Chem Lett 15: 1891-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.006
BindingDB Entry DOI: 10.7270/Q2N879B4
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM50163998
PNG
(4-(4-Methoxy-benzenesulfonyl)-4-o-tolyl-piperidine...)
Show SMILES CCOC(=O)N1CCC(CC1)(c1ccccc1C)S(=O)(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C22H27NO5S/c1-4-28-21(24)23-15-13-22(14-16-23,20-8-6-5-7-17(20)2)29(25,26)19-11-9-18(27-3)10-12-19/h5-12H,4,13-16H2,1-3H3
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n/an/an/an/a 2.45E+4n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro effective concentration against beta amyloid protein 40 in ELISA


Bioorg Med Chem Lett 15: 1891-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.006
BindingDB Entry DOI: 10.7270/Q2N879B4
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM50164001
PNG
(4-Benzenesulfonyl-4-o-tolyl-piperidine-1-carboxyli...)
Show SMILES CCOC(=O)N1CCC(CC1)(c1ccccc1C)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C21H25NO4S/c1-3-26-20(23)22-15-13-21(14-16-22,19-12-8-7-9-17(19)2)27(24,25)18-10-5-4-6-11-18/h4-12H,3,13-16H2,1-2H3
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n/an/an/an/a 4.86E+4n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro effective concentration against beta amyloid protein 40 in ELISA


Bioorg Med Chem Lett 15: 1891-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.006
BindingDB Entry DOI: 10.7270/Q2N879B4
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM50164000
PNG
(4-(4-Methoxy-benzenesulfonyl)-4-(2-methoxy-phenyl)...)
Show SMILES CCOC(=O)N1CCC(CC1)(c1ccccc1OC)S(=O)(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C22H27NO6S/c1-4-29-21(24)23-15-13-22(14-16-23,19-7-5-6-8-20(19)28-3)30(25,26)18-11-9-17(27-2)10-12-18/h5-12H,4,13-16H2,1-3H3
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n/an/an/an/a 5.06E+4n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro effective concentration against beta amyloid protein 40 in ELISA


Bioorg Med Chem Lett 15: 1891-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.006
BindingDB Entry DOI: 10.7270/Q2N879B4
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM50164002
PNG
(4-Benzenesulfonyl-4-(2-methoxy-phenyl)-piperidine-...)
Show SMILES CCOC(=O)N1CCC(CC1)(c1ccccc1OC)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C21H25NO5S/c1-3-27-20(23)22-15-13-21(14-16-22,18-11-7-8-12-19(18)26-2)28(24,25)17-9-5-4-6-10-17/h4-12H,3,13-16H2,1-2H3
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n/an/an/an/a 6.27E+4n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro effective concentration against beta amyloid protein 40 in ELISA


Bioorg Med Chem Lett 15: 1891-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.006
BindingDB Entry DOI: 10.7270/Q2N879B4
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM50163997
PNG
(4-(4-Methoxy-benzenesulfonyl)-4-phenyl-piperidine-...)
Show SMILES CCOC(=O)N1CCC(CC1)(c1ccccc1)S(=O)(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C21H25NO5S/c1-3-27-20(23)22-15-13-21(14-16-22,17-7-5-4-6-8-17)28(24,25)19-11-9-18(26-2)10-12-19/h4-12H,3,13-16H2,1-2H3
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n/an/an/an/a 9.70E+4n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro effective concentration against beta amyloid protein 40 in ELISA


Bioorg Med Chem Lett 15: 1891-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.006
BindingDB Entry DOI: 10.7270/Q2N879B4
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM50195684
PNG
(1-[4-(3-fluoropropoxy)-3-methoxyphenyl]-5-hydroxy-...)
Show SMILES COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(OCCCF)c(OC)c2)ccc1O
Show InChI InChI=1S/C24H25FO6/c1-29-23-14-17(6-10-21(23)28)4-8-19(26)16-20(27)9-5-18-7-11-22(24(15-18)30-2)31-13-3-12-25/h4-11,14-15,28H,3,12-13,16H2,1-2H3
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0.0700n/an/an/an/an/an/an/an/a



Sungkyunkwan University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [125I]IMSB from beta amyloid protein 40


J Med Chem 49: 6111-9 (2006)


Article DOI: 10.1021/jm0607193
BindingDB Entry DOI: 10.7270/Q2J38TB2
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM50101410
PNG
((trans,trans)-1-bromo-2,5-bis-(3-hydroxycarbonyl-4...)
Show SMILES OC(=O)c1cc(\C=C\c2ccc(\C=C\c3ccc(O)c(c3)C(O)=O)c(Br)c2)ccc1O
Show InChI InChI=1S/C24H17BrO6/c25-20-13-16(2-1-14-5-9-21(26)18(11-14)23(28)29)4-8-17(20)7-3-15-6-10-22(27)19(12-15)24(30)31/h1-13,26-27H,(H,28,29)(H,30,31)/b2-1+,7-3+
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0.110n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibitory activity against binding of [125I]-IMSB to amyloid beta in brain


J Med Chem 44: 2270-5 (2001)


Article DOI: 10.1021/jm010161t
BindingDB Entry DOI: 10.7270/Q22J6B4Z
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM50101411
PNG
(5-[2-bromo-4-(3-carboxy-4-hydroxyphenethyl)pheneth...)
Show SMILES OC(=O)c1cc(\C=C/c2ccc(\C=C/c3ccc(O)c(c3)C(O)=O)c(Br)c2)ccc1O
Show InChI InChI=1S/C24H17BrO6/c25-20-13-16(2-1-14-5-9-21(26)18(11-14)23(28)29)4-8-17(20)7-3-15-6-10-22(27)19(12-15)24(30)31/h1-13,26-27H,(H,28,29)(H,30,31)/b2-1-,7-3-
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0.130n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibitory activity against binding of [125I]-IMSB to amyloid beta in brain


J Med Chem 44: 2270-5 (2001)


Article DOI: 10.1021/jm010161t
BindingDB Entry DOI: 10.7270/Q22J6B4Z
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM50100131
PNG
(5-(Biphenyl-4-ylazo)-bis (2-hydroxy-benzoic acid)(...)
Show SMILES OC(=O)c1cc(ccc1O)N=Nc1ccc(cc1)-c1ccc(cc1)N=Nc1ccc(O)c(c1)C(O)=O
Show InChI InChI=1S/C26H18N4O6/c31-23-11-9-19(13-21(23)25(33)34)29-27-17-5-1-15(2-6-17)16-3-7-18(8-4-16)28-30-20-10-12-24(32)22(14-20)26(35)36/h1-14,31-32H,(H,33,34)(H,35,36)
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0.140n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibitory activity against binding of [125I]-IMSB to amyloid beta in brain


J Med Chem 44: 2270-5 (2001)


Article DOI: 10.1021/jm010161t
BindingDB Entry DOI: 10.7270/Q22J6B4Z
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM50100131
PNG
(5-(Biphenyl-4-ylazo)-bis (2-hydroxy-benzoic acid)(...)
Show SMILES OC(=O)c1cc(ccc1O)N=Nc1ccc(cc1)-c1ccc(cc1)N=Nc1ccc(O)c(c1)C(O)=O
Show InChI InChI=1S/C26H18N4O6/c31-23-11-9-19(13-21(23)25(33)34)29-27-17-5-1-15(2-6-17)16-3-7-18(8-4-16)28-30-20-10-12-24(32)22(14-20)26(35)36/h1-14,31-32H,(H,33,34)(H,35,36)
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0.140n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition constant for aggregates of amyloid beta compared to [125I]-IMSB


J Med Chem 44: 1905-14 (2001)


Article DOI: 10.1021/jm010045q
BindingDB Entry DOI: 10.7270/Q2V69HV8
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM50100131
PNG
(5-(Biphenyl-4-ylazo)-bis (2-hydroxy-benzoic acid)(...)
Show SMILES OC(=O)c1cc(ccc1O)N=Nc1ccc(cc1)-c1ccc(cc1)N=Nc1ccc(O)c(c1)C(O)=O
Show InChI InChI=1S/C26H18N4O6/c31-23-11-9-19(13-21(23)25(33)34)29-27-17-5-1-15(2-6-17)16-3-7-18(8-4-16)28-30-20-10-12-24(32)22(14-20)26(35)36/h1-14,31-32H,(H,33,34)(H,35,36)
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0.160n/an/an/an/an/an/an/an/a



Sungkyunkwan University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [125I]IMSB from beta amyloid protein 40


J Med Chem 49: 6111-9 (2006)


Article DOI: 10.1021/jm0607193
BindingDB Entry DOI: 10.7270/Q2J38TB2
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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0.170n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition constant for aggregates of amyloid beta compared to [125I]-IMSB


J Med Chem 44: 1905-14 (2001)


Article DOI: 10.1021/jm010045q
BindingDB Entry DOI: 10.7270/Q2V69HV8
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM50101413
PNG
(5-[2-bromo-4-(3-carboxy-4-hydroxyphenethyl)pheneth...)
Show SMILES OC(=O)c1cc(\C=C\c2ccc(\C=C/c3ccc(O)c(c3)C(O)=O)c(Br)c2)ccc1O
Show InChI InChI=1S/C24H17BrO6/c25-20-13-16(2-1-14-5-9-21(26)18(11-14)23(28)29)4-8-17(20)7-3-15-6-10-22(27)19(12-15)24(30)31/h1-13,26-27H,(H,28,29)(H,30,31)/b2-1+,7-3-
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0.190n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibitory activity against binding of [125I]-IMSB to amyloid beta in brain


J Med Chem 44: 2270-5 (2001)


Article DOI: 10.1021/jm010161t
BindingDB Entry DOI: 10.7270/Q22J6B4Z
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM50067040
PNG
(((E,E)-1,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-hept...)
Show SMILES COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O
Show InChI InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3
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0.208n/an/an/an/an/an/an/an/a



Sungkyunkwan University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [125I]IMSB from beta amyloid protein 40


J Med Chem 49: 6111-9 (2006)


Article DOI: 10.1021/jm0607193
BindingDB Entry DOI: 10.7270/Q2J38TB2
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM50101412
PNG
(5-[2-bromo-4-(3-carboxy-4-hydroxyphenethyl)pheneth...)
Show SMILES OC(=O)c1cc(\C=C/c2ccc(\C=C\c3ccc(O)c(c3)C(O)=O)c(Br)c2)ccc1O
Show InChI InChI=1S/C24H17BrO6/c25-20-13-16(2-1-14-5-9-21(26)18(11-14)23(28)29)4-8-17(20)7-3-15-6-10-22(27)19(12-15)24(30)31/h1-13,26-27H,(H,28,29)(H,30,31)/b2-1-,7-3+
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0.270n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibitory activity against binding of [125I]-IMSB to amyloid beta in brain


J Med Chem 44: 2270-5 (2001)


Article DOI: 10.1021/jm010161t
BindingDB Entry DOI: 10.7270/Q22J6B4Z
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM50100131
PNG
(5-(Biphenyl-4-ylazo)-bis (2-hydroxy-benzoic acid)(...)
Show SMILES OC(=O)c1cc(ccc1O)N=Nc1ccc(cc1)-c1ccc(cc1)N=Nc1ccc(O)c(c1)C(O)=O
Show InChI InChI=1S/C26H18N4O6/c31-23-11-9-19(13-21(23)25(33)34)29-27-17-5-1-15(2-6-17)16-3-7-18(8-4-16)28-30-20-10-12-24(32)22(14-20)26(35)36/h1-14,31-32H,(H,33,34)(H,35,36)
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0.400n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition constant of compound on ligand binding to aggregates of Amyloid beta was measured by comparing with [125I]-IMSB


J Med Chem 44: 1905-14 (2001)


Article DOI: 10.1021/jm010045q
BindingDB Entry DOI: 10.7270/Q2V69HV8
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM50185948
PNG
(5-hydroxy-2-(4-methylaminophenyl)benzofuran | CHEM...)
Show SMILES CNc1ccc(cc1)-c1cc2cc(O)ccc2o1
Show InChI InChI=1S/C15H13NO2/c1-16-12-4-2-10(3-5-12)15-9-11-8-13(17)6-7-14(11)18-15/h2-9,16-17H,1H3
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0.700n/an/an/an/an/an/an/an/a



Nagasaki University

Curated by ChEMBL


Assay Description
Displacement of [125I]IMPY from beta amyloid in human corpse AD brain


J Med Chem 49: 2725-30 (2006)


Article DOI: 10.1021/jm051176k
BindingDB Entry DOI: 10.7270/Q23B5ZRB
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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0.800n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition constant for aggregates of amyloid beta compared to [125I]-IMSB


J Med Chem 44: 1905-14 (2001)


Article DOI: 10.1021/jm010045q
BindingDB Entry DOI: 10.7270/Q2V69HV8
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM50100133
PNG
(CHEMBL55401 | [4-(6-Bromo-benzothiazol-2-yl)-pheny...)
Show SMILES CN(C)c1ccc(cc1)-c1nc2ccc(Br)cc2s1
Show InChI InChI=1S/C15H13BrN2S/c1-18(2)12-6-3-10(4-7-12)15-17-13-8-5-11(16)9-14(13)19-15/h3-9H,1-2H3
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0.800n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition constant for amyloid beta compared to [125I]-TZDM


J Med Chem 44: 1905-14 (2001)


Article DOI: 10.1021/jm010045q
BindingDB Entry DOI: 10.7270/Q2V69HV8
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM50100130
PNG
(4-(6-Iodobenzo[d]thiazol-2-yl)-N,N-dimethylaniline...)
Show SMILES CN(C)c1ccc(cc1)-c1nc2ccc(I)cc2s1
Show InChI InChI=1S/C15H13IN2S/c1-18(2)12-6-3-10(4-7-12)15-17-13-8-5-11(16)9-14(13)19-15/h3-9H,1-2H3
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0.900n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition constant for amyloid beta compared to [125I]-TZDM


J Med Chem 44: 1905-14 (2001)


Article DOI: 10.1021/jm010045q
BindingDB Entry DOI: 10.7270/Q2V69HV8
More data for this
Ligand-Target Pair
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