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Compile Data Set for Download or QSAR

Found 9 hits with Last Name = 'von reutern' and Initial = 'b'   
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
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50484947
PNG
(CHEMBL2017621)
Show SMILES CNc1ccc(cc1)-c1cn2c(n1)sc1cc(OCC[18F])ccc21
Show InChI InChI=1S/C18H16FN3OS/c1-20-13-4-2-12(3-5-13)15-11-22-16-7-6-14(23-9-8-19)10-17(16)24-18(22)21-15/h2-7,10-11,20H,8-9H2,1H3
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2.10n/an/an/an/an/an/an/an/a



Technische Universit£t M£nchen

Curated by ChEMBL


Assay Description
Displacement of [3H]Pittsburgh compound B from human Abeta1-40 after 3 hrs by liquid scintillation counting


ACS Med Chem Lett 2: 673-7 (2011)


Article DOI: 10.1021/ml200123w
BindingDB Entry DOI: 10.7270/Q29889V4
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50484946
PNG
((18F)AV-45 | 18F-AV-45 | AV-45 F-18 | Amyvid | CHE...)
Show SMILES CNc1ccc(\C=C\c2ccc(OCCOCCOCC[18F])nc2)cc1
Show InChI InChI=1S/C20H25FN2O3/c1-22-19-7-4-17(5-8-19)2-3-18-6-9-20(23-16-18)26-15-14-25-13-12-24-11-10-21/h2-9,16,22H,10-15H2,1H3/b3-2+
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2.90n/an/an/an/an/an/an/an/a



Technische Universit£t M£nchen

Curated by ChEMBL


Assay Description
Binding affinity to amyloid beta aggregates in postmortem human Alzheimer's disease brain homogenates after 2 hrs by gamma counting


ACS Med Chem Lett 2: 673-7 (2011)


Article DOI: 10.1021/ml200123w
BindingDB Entry DOI: 10.7270/Q29889V4
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50484947
PNG
(CHEMBL2017621)
Show SMILES CNc1ccc(cc1)-c1cn2c(n1)sc1cc(OCC[18F])ccc21
Show InChI InChI=1S/C18H16FN3OS/c1-20-13-4-2-12(3-5-13)15-11-22-16-7-6-14(23-9-8-19)10-17(16)24-18(22)21-15/h2-7,10-11,20H,8-9H2,1H3
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3.20n/an/an/an/an/an/an/an/a



Technische Universit£t M£nchen

Curated by ChEMBL


Assay Description
Displacement of [3H]Pittsburgh compound B from human Abeta1-42 after 3 hrs by liquid scintillation counting


ACS Med Chem Lett 2: 673-7 (2011)


Article DOI: 10.1021/ml200123w
BindingDB Entry DOI: 10.7270/Q29889V4
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50483423
PNG
(CHEMBL1671878)
Show SMILES CNc1ccc(cc1)-c1cn2c(n1)sc1cc(OC)ccc21
Show InChI InChI=1S/C17H15N3OS/c1-18-12-5-3-11(4-6-12)14-10-20-15-8-7-13(21-2)9-16(15)22-17(20)19-14/h3-10,18H,1-2H3
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3.5n/an/an/an/an/an/an/an/a



Technische Universit£t M£nchen

Curated by ChEMBL


Assay Description
Displacement of [3H]PiB from human amyloid beta (1-40) at 100 nM after 180 mins by liquid scintillation counter


J Med Chem 54: 949-56 (2011)


Article DOI: 10.1021/jm101129a
BindingDB Entry DOI: 10.7270/Q2639SJM
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50483423
PNG
(CHEMBL1671878)
Show SMILES CNc1ccc(cc1)-c1cn2c(n1)sc1cc(OC)ccc21
Show InChI InChI=1S/C17H15N3OS/c1-18-12-5-3-11(4-6-12)14-10-20-15-8-7-13(21-2)9-16(15)22-17(20)19-14/h3-10,18H,1-2H3
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5.80n/an/an/an/an/an/an/an/a



Technische Universit£t M£nchen

Curated by ChEMBL


Assay Description
Displacement of [3H]PiB from human amyloid beta (1-42) at 100 nM after 180 mins by liquid scintillation counter


J Med Chem 54: 949-56 (2011)


Article DOI: 10.1021/jm101129a
BindingDB Entry DOI: 10.7270/Q2639SJM
More data for this
Ligand-Target Pair
Amyloid-beta precursor 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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6n/an/an/an/an/an/an/an/a



Technische Universit£t M£nchen

Curated by ChEMBL


Assay Description
Displacement of [3H]PiB from human amyloid beta (1-40) at 100 nM after 180 mins by liquid scintillation counter


J Med Chem 54: 949-56 (2011)


Article DOI: 10.1021/jm101129a
BindingDB Entry DOI: 10.7270/Q2639SJM
More data for this
Ligand-Target Pair
Amyloid-beta precursor 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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CHEMBL
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7.70n/an/an/an/an/an/an/an/a



Technische Universit£t M£nchen

Curated by ChEMBL


Assay Description
Displacement of [3H]Pittsburgh compound B from human Abeta1-42 after 3 hrs by liquid scintillation counting


ACS Med Chem Lett 2: 673-7 (2011)


Article DOI: 10.1021/ml200123w
BindingDB Entry DOI: 10.7270/Q29889V4
More data for this
Ligand-Target Pair
Amyloid-beta precursor 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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12n/an/an/an/an/an/an/an/a



Technische Universit£t M£nchen

Curated by ChEMBL


Assay Description
Displacement of [3H]Pittsburgh compound B from human Abeta1-40 after 3 hrs by liquid scintillation counting


ACS Med Chem Lett 2: 673-7 (2011)


Article DOI: 10.1021/ml200123w
BindingDB Entry DOI: 10.7270/Q29889V4
More data for this
Ligand-Target Pair
Amyloid-beta precursor 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
PDB
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CHEMBL
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Article
PubMed
13n/an/an/an/an/an/an/an/a



Technische Universit£t M£nchen

Curated by ChEMBL


Assay Description
Displacement of [3H]PiB from human amyloid beta (1-42) at 100 nM after 180 mins by liquid scintillation counter


J Med Chem 54: 949-56 (2011)


Article DOI: 10.1021/jm101129a
BindingDB Entry DOI: 10.7270/Q2639SJM
More data for this
Ligand-Target Pair