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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))
BDBM195591
PNG
(US9216974,Resorufin | US9333197, Resorufin)
Show SMILES Oc1ccc2nc3ccc(=O)cc3oc2c1
Show InChI InChI=1S/C12H7NO3/c14-7-1-3-9-11(5-7)16-12-6-8(15)2-4-10(12)13-9/h1-6,14H
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n/an/an/a 225n/an/an/an/an/a



WASHINGTON UNIVERSITY

US Patent


Assay Description
To determine the Ki values, fixed brain tissues prepared from 15-month-old Tg2576 mice (N=5) will be incubated for 30 min with 1 μM methoxy-X34 ...


US Patent US9216974 (2015)


BindingDB Entry DOI: 10.7270/Q2WD3ZCG
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM50103964
PNG
(CHEMBL3593932)
Show SMILES [O-][N+](=O)c1ccc(\C=C\C=C2/C(=O)N(Cc3ccc(OCCF)cc3)c3ccccc23)cc1
Show InChI InChI=1S/C26H21FN2O4/c27-16-17-33-22-14-10-20(11-15-22)18-28-25-7-2-1-5-23(25)24(26(28)30)6-3-4-19-8-12-21(13-9-19)29(31)32/h1-15H,16-18H2/b4-3+,24-6-
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n/an/an/a 271n/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity amyloid beta (1 to 42) (unknown origin) expressed in Escherichia coli after 1 hr by scintillation counting


J Med Chem 58: 6002-17 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00571
BindingDB Entry DOI: 10.7270/Q24Q7WRC
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM195598
PNG
(US9216974, WC-5-4)
Show SMILES COc1cccc(COc2ccc3nc4ccc(=O)cc4oc3c2)c1
Show InChI InChI=1S/C20H15NO4/c1-23-15-4-2-3-13(9-15)12-24-16-6-8-18-20(11-16)25-19-10-14(22)5-7-17(19)21-18/h2-11H,12H2,1H3
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n/an/an/a 537n/an/an/an/an/a



WASHINGTON UNIVERSITY

US Patent


Assay Description
To determine the Ki values, fixed brain tissues prepared from 15-month-old Tg2576 mice (N=5) will be incubated for 30 min with 1 μM methoxy-X34 ...


US Patent US9216974 (2015)


BindingDB Entry DOI: 10.7270/Q2WD3ZCG
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM195599
PNG
(US9216974, WC-5-2)
Show SMILES FCCOc1ccc2nc3ccc(=O)cc3oc2c1
Show InChI InChI=1S/C14H10FNO3/c15-5-6-18-10-2-4-12-14(8-10)19-13-7-9(17)1-3-11(13)16-12/h1-4,7-8H,5-6H2
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n/an/an/a 800n/an/an/an/an/a



WASHINGTON UNIVERSITY

US Patent


Assay Description
To determine the Ki values, fixed brain tissues prepared from 15-month-old Tg2576 mice (N=5) will be incubated for 30 min with 1 μM methoxy-X34 ...


US Patent US9216974 (2015)


BindingDB Entry DOI: 10.7270/Q2WD3ZCG
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM195600
PNG
(US9216974, WC-5-1)
Show SMILES O=c1ccc2nc3ccc(OC#C)cc3oc2c1
Show InChI InChI=1S/C14H7NO3/c1-2-17-10-4-6-12-14(8-10)18-13-7-9(16)3-5-11(13)15-12/h1,3-8H
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n/an/an/a 828n/an/an/an/an/a



WASHINGTON UNIVERSITY

US Patent


Assay Description
To determine the Ki values, fixed brain tissues prepared from 15-month-old Tg2576 mice (N=5) will be incubated for 30 min with 1 μM methoxy-X34 ...


US Patent US9216974 (2015)


BindingDB Entry DOI: 10.7270/Q2WD3ZCG
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM195595
PNG
(US9216974, WC-5-9)
Show SMILES BrCCOc1ccc2nc3ccc(=O)cc3oc2c1
Show InChI InChI=1S/C14H10BrNO3/c15-5-6-18-10-2-4-12-14(8-10)19-13-7-9(17)1-3-11(13)16-12/h1-4,7-8H,5-6H2
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n/an/an/a 927n/an/an/an/an/a



WASHINGTON UNIVERSITY

US Patent


Assay Description
To determine the Ki values, fixed brain tissues prepared from 15-month-old Tg2576 mice (N=5) will be incubated for 30 min with 1 μM methoxy-X34 ...


US Patent US9216974 (2015)


BindingDB Entry DOI: 10.7270/Q2WD3ZCG
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM195585
PNG
(US9216974, WC-5-3)
Show SMILES FCCn1cc(COc2ccc3nc4ccc(=O)cc4oc3c2)nn1
Show InChI InChI=1S/C17H13FN4O3/c18-5-6-22-9-11(20-21-22)10-24-13-2-4-15-17(8-13)25-16-7-12(23)1-3-14(16)19-15/h1-4,7-9H,5-6,10H2
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n/an/an/a 2.38E+3n/an/an/an/an/a



WASHINGTON UNIVERSITY

US Patent


Assay Description
To determine the Ki values, fixed brain tissues prepared from 15-month-old Tg2576 mice (N=5) will be incubated for 30 min with 1 μM methoxy-X34 ...


US Patent US9216974 (2015)


BindingDB Entry DOI: 10.7270/Q2WD3ZCG
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM195588
PNG
(US9216974, WC-5-31)
Show SMILES Ic1ccc(COc2ccc3nc4ccc(=O)cc4oc3c2)cc1
Show InChI InChI=1S/C19H12INO3/c20-13-3-1-12(2-4-13)11-23-15-6-8-17-19(10-15)24-18-9-14(22)5-7-16(18)21-17/h1-10H,11H2
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n/an/an/a>1.00E+4n/an/an/an/an/a



WASHINGTON UNIVERSITY

US Patent


Assay Description
To determine the Ki values, fixed brain tissues prepared from 15-month-old Tg2576 mice (N=5) will be incubated for 30 min with 1 μM methoxy-X34 ...


US Patent US9216974 (2015)


BindingDB Entry DOI: 10.7270/Q2WD3ZCG
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
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 against [125I]-7 (TZDM) binding to Amyloid beta 1-40 aggregates


J Med Chem 46: 237-43 (2003)


Article DOI: 10.1021/jm020351j
BindingDB Entry DOI: 10.7270/Q2WH2PBC
More data for this
Ligand-Target Pair
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
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))
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))
BDBM50185947
PNG
(5-methoxy-2-(4-methylaminophenyl)benzofuran | CHEM...)
Show SMILES CNc1ccc(cc1)-c1cc2cc(OC)ccc2o1
Show InChI InChI=1S/C16H15NO2/c1-17-13-5-3-11(4-6-13)16-10-12-9-14(18-2)7-8-15(12)19-16/h3-10,17H,1-2H3
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1.30n/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))
BDBM50100132
PNG
(6-Bromo-2-[4-(4-methyl-piperazin-1-yl)-phenyl]-ben...)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1nc2ccc(Br)cc2s1
Show InChI InChI=1S/C18H18BrN3S/c1-21-8-10-22(11-9-21)15-5-2-13(3-6-15)18-20-16-7-4-14(19)12-17(16)23-18/h2-7,12H,8-11H2,1H3
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1.60n/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))
BDBM50129794
PNG
(CHEMBL328660 | [4-(6-Bromo-benzothiazol-2-yl)-phen...)
Show SMILES CNc1ccc(cc1)-c1nc2ccc(Br)cc2s1
Show InChI InChI=1S/C14H11BrN2S/c1-16-11-5-2-9(3-6-11)14-17-12-7-4-10(15)8-13(12)18-14/h2-8,16H,1H3
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1.70n/an/an/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Binding affinity for Amyloid beta 1-40 aggregates in competition with [N-methyl-3H] BTA-1.


J Med Chem 46: 2740-54 (2003)


Article DOI: 10.1021/jm030026b
BindingDB Entry DOI: 10.7270/Q23R0S87
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM50129784
PNG
(4-(6-Methoxybenzo[d]thiazol-2-yl)-N,N-dimethylanil...)
Show SMILES COc1ccc2nc(sc2c1)-c1ccc(cc1)N(C)C
Show InChI InChI=1S/C16H16N2OS/c1-18(2)12-6-4-11(5-7-12)16-17-14-9-8-13(19-3)10-15(14)20-16/h4-10H,1-3H3
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1.90n/an/an/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Binding affinity for Amyloid beta 1-40 aggregates in competition with [N-methyl-3H] BTA-1.


J Med Chem 46: 2740-54 (2003)


Article DOI: 10.1021/jm030026b
BindingDB Entry DOI: 10.7270/Q23R0S87
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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1.90n/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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2.20n/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))
BDBM50185946
PNG
(5-methoxy-2-(4-aminophenyl)benzofuran | CHEMBL2052...)
Show SMILES COc1ccc2oc(cc2c1)-c1ccc(N)cc1
Show InChI InChI=1S/C15H13NO2/c1-17-13-6-7-14-11(8-13)9-15(18-14)10-2-4-12(16)5-3-10/h2-9H,16H2,1H3
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2.30n/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))
BDBM50185950
PNG
(5-hydroxy-2-(4-dimethylaminophenyl)benzofuran | CH...)
Show SMILES CN(C)c1ccc(cc1)-c1cc2cc(O)ccc2o1
Show InChI InChI=1S/C16H15NO2/c1-17(2)13-5-3-11(4-6-13)16-10-12-9-14(18)7-8-15(12)19-16/h3-10,18H,1-2H3
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2.80n/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))
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))
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))
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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2.90n/an/an/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Binding affinity for Amyloid beta 1-40 aggregates in competition with [N-methyl-3H] BTA-1.


J Med Chem 46: 2740-54 (2003)


Article DOI: 10.1021/jm030026b
BindingDB Entry DOI: 10.7270/Q23R0S87
More data for this
Ligand-Target Pair
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))
BDBM50129791
PNG
((4-Benzothiazol-2-yl-phenyl)-dimethyl-amine | 4-(B...)
Show SMILES CN(C)c1ccc(cc1)-c1nc2ccccc2s1
Show InChI InChI=1S/C15H14N2S/c1-17(2)12-9-7-11(8-10-12)15-16-13-5-3-4-6-14(13)18-15/h3-10H,1-2H3
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4n/an/an/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Binding affinity for Amyloid beta 1-40 aggregates in competition with [N-methyl-3H] BTA-1.


J Med Chem 46: 2740-54 (2003)


Article DOI: 10.1021/jm030026b
BindingDB Entry DOI: 10.7270/Q23R0S87
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))
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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4.30n/an/an/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Binding affinity for Amyloid beta 1-40 aggregates in competition with [N-methyl-3H] BTA-1.


J Med Chem 46: 2740-54 (2003)


Article DOI: 10.1021/jm030026b
BindingDB Entry DOI: 10.7270/Q23R0S87
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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4.30n/an/an/an/an/an/an/an/a



Nagasaki University

Curated by ChEMBL


Assay Description
Binding affinity to 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))
BDBM50129792
PNG
(2-(4-Dimethylamino-phenyl)-benzothiazol-6-ol | CHE...)
Show SMILES CN(C)c1ccc(cc1)-c1nc2ccc(O)cc2s1
Show InChI InChI=1S/C15H14N2OS/c1-17(2)11-5-3-10(4-6-11)15-16-13-8-7-12(18)9-14(13)19-15/h3-9,18H,1-2H3
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4.40n/an/an/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Binding affinity for Amyloid beta 1-40 aggregates in competition with [N-methyl-3H] BTA-1.


J Med Chem 46: 2740-54 (2003)


Article DOI: 10.1021/jm030026b
BindingDB Entry DOI: 10.7270/Q23R0S87
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM50129786
PNG
(CHEMBL94230 | [4-(6-Methoxy-benzothiazol-2-yl)-phe...)
Show SMILES CNc1ccc(cc1)-c1nc2ccc(OC)cc2s1
Show InChI InChI=1S/C15H14N2OS/c1-16-11-5-3-10(4-6-11)15-17-13-8-7-12(18-2)9-14(13)19-15/h3-9,16H,1-2H3
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4.90n/an/an/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Binding affinity for Amyloid beta 1-40 aggregates in competition with [N-methyl-3H] BTA-1.


J Med Chem 46: 2740-54 (2003)


Article DOI: 10.1021/jm030026b
BindingDB Entry DOI: 10.7270/Q23R0S87
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM50100132
PNG
(6-Bromo-2-[4-(4-methyl-piperazin-1-yl)-phenyl]-ben...)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1nc2ccc(Br)cc2s1
Show InChI InChI=1S/C18H18BrN3S/c1-21-8-10-22(11-9-21)15-5-2-13(3-6-15)18-20-16-7-4-14(19)12-17(16)23-18/h2-7,12H,8-11H2,1H3
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5n/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))
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))
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))
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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5.10n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Displacement of [125I](E,E)-1-iodo-2,5-bis-(3-hydroxycarbonyl-4-methoxy)styrylbenzene 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))
BDBM50100136
PNG
(6-Iodo-2-[4-(4-methyl-piperazin-1-yl)-phenyl]-benz...)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1nc2ccc(I)cc2s1
Show InChI InChI=1S/C18H18IN3S/c1-21-8-10-22(11-9-21)15-5-2-13(3-6-15)18-20-16-7-4-14(19)12-17(16)23-18/h2-7,12H,8-11H2,1H3
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5.40n/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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