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PubMed code 16682195

Compile data set for download or QSAR
Found 37 hits of Enzyme Inhibition Constant Data   
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
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2


(Homo sapiens (Human))
BDBM50186512
PNG
(CHEMBL377810 | benzyl 6-benzyl-2-hydroxy-5-oxo-5,6...)
Show SMILES OC1C=CC(=O)C(Cc2ccccc2)N1C(=O)OCc1ccccc1 |c:2|
Show InChI InChI=1S/C20H19NO4/c22-18-11-12-19(23)21(17(18)13-15-7-3-1-4-8-15)20(24)25-14-16-9-5-2-6-10-16/h1-12,17,19,23H,13-14H2
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n/an/a 500n/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of beta amyloid protein 40


Bioorg Med Chem Lett 16: 3813-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.025
BindingDB Entry DOI: 10.7270/Q2VM4BVF
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2


(Homo sapiens (Human))
BDBM50186512
PNG
(CHEMBL377810 | benzyl 6-benzyl-2-hydroxy-5-oxo-5,6...)
Show SMILES OC1C=CC(=O)C(Cc2ccccc2)N1C(=O)OCc1ccccc1 |c:2|
Show InChI InChI=1S/C20H19NO4/c22-18-11-12-19(23)21(17(18)13-15-7-3-1-4-8-15)20(24)25-14-16-9-5-2-6-10-16/h1-12,17,19,23H,13-14H2
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n/an/a 700n/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of beta amyloid protein 42


Bioorg Med Chem Lett 16: 3813-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.025
BindingDB Entry DOI: 10.7270/Q2VM4BVF
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2


(Homo sapiens (Human))
BDBM50186500
PNG
(1-benzoyl-2-benzyl-1,2-dihydropyridin-3(6H)-one | ...)
Show SMILES O=C(N1CC=CC(=O)C1Cc1ccccc1)c1ccccc1 |c:4|
Show InChI InChI=1S/C19H17NO2/c21-18-12-7-13-20(19(22)16-10-5-2-6-11-16)17(18)14-15-8-3-1-4-9-15/h1-12,17H,13-14H2
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of beta amyloid protein 40


Bioorg Med Chem Lett 16: 3813-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.025
BindingDB Entry DOI: 10.7270/Q2VM4BVF
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2


(Homo sapiens (Human))
BDBM50186507
PNG
((5R,6S)-5,6-bis(benzyloxy)cyclohex-2-enone | CHEMB...)
Show SMILES O=C1C=CC[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 |c:2|
Show InChI InChI=1S/C20H20O3/c21-18-12-7-13-19(22-14-16-8-3-1-4-9-16)20(18)23-15-17-10-5-2-6-11-17/h1-12,19-20H,13-15H2/t19-,20-/m1/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of beta amyloid protein 42


Bioorg Med Chem Lett 16: 3813-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.025
BindingDB Entry DOI: 10.7270/Q2VM4BVF
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2


(Homo sapiens (Human))
BDBM50186507
PNG
((5R,6S)-5,6-bis(benzyloxy)cyclohex-2-enone | CHEMB...)
Show SMILES O=C1C=CC[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 |c:2|
Show InChI InChI=1S/C20H20O3/c21-18-12-7-13-19(22-14-16-8-3-1-4-9-16)20(18)23-15-17-10-5-2-6-11-17/h1-12,19-20H,13-15H2/t19-,20-/m1/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of beta amyloid protein 40


Bioorg Med Chem Lett 16: 3813-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.025
BindingDB Entry DOI: 10.7270/Q2VM4BVF
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2


(Homo sapiens (Human))
BDBM50186500
PNG
(1-benzoyl-2-benzyl-1,2-dihydropyridin-3(6H)-one | ...)
Show SMILES O=C(N1CC=CC(=O)C1Cc1ccccc1)c1ccccc1 |c:4|
Show InChI InChI=1S/C19H17NO2/c21-18-12-7-13-20(19(22)16-10-5-2-6-11-16)17(18)14-15-8-3-1-4-9-15/h1-12,17H,13-14H2
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n/an/a 2.20E+3n/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of beta amyloid protein 42


Bioorg Med Chem Lett 16: 3813-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.025
BindingDB Entry DOI: 10.7270/Q2VM4BVF
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2


(Homo sapiens (Human))
BDBM50186513
PNG
(CHEMBL212569 | benzyl 6-benzyl-5-oxo-5,6-dihydropy...)
Show SMILES O=C(OCc1ccccc1)N1CC=CC(=O)C1Cc1ccccc1 |c:13|
Show InChI InChI=1S/C20H19NO3/c22-19-12-7-13-21(18(19)14-16-8-3-1-4-9-16)20(23)24-15-17-10-5-2-6-11-17/h1-12,18H,13-15H2
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n/an/a 4.60E+3n/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of beta amyloid protein 40


Bioorg Med Chem Lett 16: 3813-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.025
BindingDB Entry DOI: 10.7270/Q2VM4BVF
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2


(Homo sapiens (Human))
BDBM50186510
PNG
((2S,3R)-2-(benzyloxy)-3-methoxycyclohexanone | CHE...)
Show SMILES CO[C@@H]1CCCC(=O)[C@H]1OCc1ccccc1
Show InChI InChI=1S/C14H18O3/c1-16-13-9-5-8-12(15)14(13)17-10-11-6-3-2-4-7-11/h2-4,6-7,13-14H,5,8-10H2,1H3/t13-,14-/m1/s1
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n/an/a 4.90E+3n/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of beta amyloid protein 40


Bioorg Med Chem Lett 16: 3813-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.025
BindingDB Entry DOI: 10.7270/Q2VM4BVF
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2


(Homo sapiens (Human))
BDBM50186504
PNG
(2-benzyl-1-(phenylsulfonyl)-1,2-dihydropyridin-3(6...)
Show SMILES O=C1C=CCN(C1Cc1ccccc1)S(=O)(=O)c1ccccc1 |c:2|
Show InChI InChI=1S/C18H17NO3S/c20-18-12-7-13-19(17(18)14-15-8-3-1-4-9-15)23(21,22)16-10-5-2-6-11-16/h1-12,17H,13-14H2
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n/an/a 5.90E+3n/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of beta amyloid protein 40


Bioorg Med Chem Lett 16: 3813-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.025
BindingDB Entry DOI: 10.7270/Q2VM4BVF
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2


(Homo sapiens (Human))
BDBM50186506
PNG
((5R,6S)-6-(benzyloxy)-5-methoxycyclohex-2-enone | ...)
Show SMILES CO[C@@H]1CC=CC(=O)[C@H]1OCc1ccccc1 |c:4|
Show InChI InChI=1S/C14H16O3/c1-16-13-9-5-8-12(15)14(13)17-10-11-6-3-2-4-7-11/h2-8,13-14H,9-10H2,1H3/t13-,14-/m1/s1
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n/an/a 6.90E+3n/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of beta amyloid protein 40


Bioorg Med Chem Lett 16: 3813-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.025
BindingDB Entry DOI: 10.7270/Q2VM4BVF
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2


(Homo sapiens (Human))
BDBM50186502
PNG
(CHEMBL210178 | methyl 6-benzyl-5-oxo-5,6-dihydropy...)
Show SMILES COC(=O)N1CC=CC(=O)C1Cc1ccccc1 |c:6|
Show InChI InChI=1S/C14H15NO3/c1-18-14(17)15-9-5-8-13(16)12(15)10-11-6-3-2-4-7-11/h2-8,12H,9-10H2,1H3
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n/an/a 7.20E+3n/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of beta amyloid protein 40


Bioorg Med Chem Lett 16: 3813-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.025
BindingDB Entry DOI: 10.7270/Q2VM4BVF
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2


(Homo sapiens (Human))
BDBM50186513
PNG
(CHEMBL212569 | benzyl 6-benzyl-5-oxo-5,6-dihydropy...)
Show SMILES O=C(OCc1ccccc1)N1CC=CC(=O)C1Cc1ccccc1 |c:13|
Show InChI InChI=1S/C20H19NO3/c22-19-12-7-13-21(18(19)14-16-8-3-1-4-9-16)20(23)24-15-17-10-5-2-6-11-17/h1-12,18H,13-15H2
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n/an/a 7.40E+3n/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of beta amyloid protein 42


Bioorg Med Chem Lett 16: 3813-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.025
BindingDB Entry DOI: 10.7270/Q2VM4BVF
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2


(Homo sapiens (Human))
BDBM50186502
PNG
(CHEMBL210178 | methyl 6-benzyl-5-oxo-5,6-dihydropy...)
Show SMILES COC(=O)N1CC=CC(=O)C1Cc1ccccc1 |c:6|
Show InChI InChI=1S/C14H15NO3/c1-18-14(17)15-9-5-8-13(16)12(15)10-11-6-3-2-4-7-11/h2-8,12H,9-10H2,1H3
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n/an/a 9.80E+3n/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of beta amyloid protein 42


Bioorg Med Chem Lett 16: 3813-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.025
BindingDB Entry DOI: 10.7270/Q2VM4BVF
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2


(Homo sapiens (Human))
BDBM50186506
PNG
((5R,6S)-6-(benzyloxy)-5-methoxycyclohex-2-enone | ...)
Show SMILES CO[C@@H]1CC=CC(=O)[C@H]1OCc1ccccc1 |c:4|
Show InChI InChI=1S/C14H16O3/c1-16-13-9-5-8-12(15)14(13)17-10-11-6-3-2-4-7-11/h2-8,13-14H,9-10H2,1H3/t13-,14-/m1/s1
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n/an/a 1.02E+4n/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of beta amyloid protein 42


Bioorg Med Chem Lett 16: 3813-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.025
BindingDB Entry DOI: 10.7270/Q2VM4BVF
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2


(Homo sapiens (Human))
BDBM50186504
PNG
(2-benzyl-1-(phenylsulfonyl)-1,2-dihydropyridin-3(6...)
Show SMILES O=C1C=CCN(C1Cc1ccccc1)S(=O)(=O)c1ccccc1 |c:2|
Show InChI InChI=1S/C18H17NO3S/c20-18-12-7-13-19(17(18)14-15-8-3-1-4-9-15)23(21,22)16-10-5-2-6-11-16/h1-12,17H,13-14H2
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n/an/a 1.23E+4n/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of beta amyloid protein 42


Bioorg Med Chem Lett 16: 3813-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.025
BindingDB Entry DOI: 10.7270/Q2VM4BVF
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2


(Homo sapiens (Human))
BDBM50186510
PNG
((2S,3R)-2-(benzyloxy)-3-methoxycyclohexanone | CHE...)
Show SMILES CO[C@@H]1CCCC(=O)[C@H]1OCc1ccccc1
Show InChI InChI=1S/C14H18O3/c1-16-13-9-5-8-12(15)14(13)17-10-11-6-3-2-4-7-11/h2-4,6-7,13-14H,5,8-10H2,1H3/t13-,14-/m1/s1
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n/an/a 1.39E+4n/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of beta amyloid protein 42


Bioorg Med Chem Lett 16: 3813-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.025
BindingDB Entry DOI: 10.7270/Q2VM4BVF
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2


(Homo sapiens (Human))
BDBM50186508
PNG
((5R,6S)-5-(benzyloxy)-6-methoxycyclohex-2-enone | ...)
Show SMILES CO[C@H]1[C@@H](CC=CC1=O)OCc1ccccc1 |c:5|
Show InChI InChI=1S/C14H16O3/c1-16-14-12(15)8-5-9-13(14)17-10-11-6-3-2-4-7-11/h2-8,13-14H,9-10H2,1H3/t13-,14-/m1/s1
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n/an/a 2.60E+4n/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of beta amyloid protein 42


Bioorg Med Chem Lett 16: 3813-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.025
BindingDB Entry DOI: 10.7270/Q2VM4BVF
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2


(Homo sapiens (Human))
BDBM50186508
PNG
((5R,6S)-5-(benzyloxy)-6-methoxycyclohex-2-enone | ...)
Show SMILES CO[C@H]1[C@@H](CC=CC1=O)OCc1ccccc1 |c:5|
Show InChI InChI=1S/C14H16O3/c1-16-14-12(15)8-5-9-13(14)17-10-11-6-3-2-4-7-11/h2-8,13-14H,9-10H2,1H3/t13-,14-/m1/s1
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n/an/a 3.39E+4n/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of beta amyloid protein 40


Bioorg Med Chem Lett 16: 3813-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.025
BindingDB Entry DOI: 10.7270/Q2VM4BVF
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2


(Homo sapiens (Human))
BDBM50186509
PNG
((2S,3R)-3-(benzyloxy)-5-hydroxy-2-methoxycyclohexa...)
Show SMILES CO[C@H]1[C@@H](CC(O)CC1=O)OCc1ccccc1
Show InChI InChI=1S/C14H18O4/c1-17-14-12(16)7-11(15)8-13(14)18-9-10-5-3-2-4-6-10/h2-6,11,13-15H,7-9H2,1H3/t11?,13-,14-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of beta amyloid protein 42


Bioorg Med Chem Lett 16: 3813-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.025
BindingDB Entry DOI: 10.7270/Q2VM4BVF
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2


(Homo sapiens (Human))
BDBM50186511
PNG
((2S,3R)-3-(benzyloxy)-2-methoxycyclohexanone | CHE...)
Show SMILES CO[C@H]1[C@@H](CCCC1=O)OCc1ccccc1
Show InChI InChI=1S/C14H18O3/c1-16-14-12(15)8-5-9-13(14)17-10-11-6-3-2-4-7-11/h2-4,6-7,13-14H,5,8-10H2,1H3/t13-,14-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of beta amyloid protein 42


Bioorg Med Chem Lett 16: 3813-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.025
BindingDB Entry DOI: 10.7270/Q2VM4BVF
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2


(Homo sapiens (Human))
BDBM50186505
PNG
(CHEMBL211287 | methyl 2-benzyl-3-oxopiperidine-1-c...)
Show SMILES COC(=O)N1CCCC(=O)C1Cc1ccccc1
Show InChI InChI=1S/C14H17NO3/c1-18-14(17)15-9-5-8-13(16)12(15)10-11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of beta amyloid protein 42


Bioorg Med Chem Lett 16: 3813-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.025
BindingDB Entry DOI: 10.7270/Q2VM4BVF
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2


(Homo sapiens (Human))
BDBM50186499
PNG
(CHEMBL377425 | benzyl 2-benzyl-3-hydroxypiperidine...)
Show SMILES OC1CCCN(C1Cc1ccccc1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C20H23NO3/c22-19-12-7-13-21(18(19)14-16-8-3-1-4-9-16)20(23)24-15-17-10-5-2-6-11-17/h1-6,8-11,18-19,22H,7,12-15H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of beta amyloid protein 42


Bioorg Med Chem Lett 16: 3813-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.025
BindingDB Entry DOI: 10.7270/Q2VM4BVF
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2


(Homo sapiens (Human))
BDBM50186517
PNG
(CHEMBL209225 | methyl 2-benzyl-3-hydroxypiperidine...)
Show SMILES COC(=O)N1CCCC(O)C1Cc1ccccc1
Show InChI InChI=1S/C14H19NO3/c1-18-14(17)15-9-5-8-13(16)12(15)10-11-6-3-2-4-7-11/h2-4,6-7,12-13,16H,5,8-10H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of beta amyloid protein 40


Bioorg Med Chem Lett 16: 3813-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.025
BindingDB Entry DOI: 10.7270/Q2VM4BVF
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2


(Homo sapiens (Human))
BDBM50186516
PNG
(CHEMBL378711 | benzyl 2-benzyl-3-oxopiperidine-1-c...)
Show SMILES O=C(OCc1ccccc1)N1CCCC(=O)C1Cc1ccccc1
Show InChI InChI=1S/C20H21NO3/c22-19-12-7-13-21(18(19)14-16-8-3-1-4-9-16)20(23)24-15-17-10-5-2-6-11-17/h1-6,8-11,18H,7,12-15H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of beta amyloid protein 42


Bioorg Med Chem Lett 16: 3813-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.025
BindingDB Entry DOI: 10.7270/Q2VM4BVF
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2


(Homo sapiens (Human))
BDBM50186515
PNG
((2S,3R)-2-hydroxy-3-methoxycyclohexanone | CHEMBL3...)
Show SMILES CO[C@@H]1CCCC(=O)[C@H]1O
Show InChI InChI=1S/C7H12O3/c1-10-6-4-2-3-5(8)7(6)9/h6-7,9H,2-4H2,1H3/t6-,7-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of beta amyloid protein 40


Bioorg Med Chem Lett 16: 3813-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.025
BindingDB Entry DOI: 10.7270/Q2VM4BVF
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2


(Homo sapiens (Human))
BDBM50186501
PNG
((2S,3R)-2-(benzyloxy)-5-hydroxy-3-methoxycyclohexa...)
Show SMILES CO[C@@H]1CC(O)CC(=O)[C@H]1OCc1ccccc1
Show InChI InChI=1S/C14H18O4/c1-17-13-8-11(15)7-12(16)14(13)18-9-10-5-3-2-4-6-10/h2-6,11,13-15H,7-9H2,1H3/t11?,13-,14-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of beta amyloid protein 40


Bioorg Med Chem Lett 16: 3813-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.025
BindingDB Entry DOI: 10.7270/Q2VM4BVF
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2


(Homo sapiens (Human))
BDBM50186517
PNG
(CHEMBL209225 | methyl 2-benzyl-3-hydroxypiperidine...)
Show SMILES COC(=O)N1CCCC(O)C1Cc1ccccc1
Show InChI InChI=1S/C14H19NO3/c1-18-14(17)15-9-5-8-13(16)12(15)10-11-6-3-2-4-7-11/h2-4,6-7,12-13,16H,5,8-10H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of beta amyloid protein 42


Bioorg Med Chem Lett 16: 3813-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.025
BindingDB Entry DOI: 10.7270/Q2VM4BVF
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2


(Homo sapiens (Human))
BDBM50186515
PNG
((2S,3R)-2-hydroxy-3-methoxycyclohexanone | CHEMBL3...)
Show SMILES CO[C@@H]1CCCC(=O)[C@H]1O
Show InChI InChI=1S/C7H12O3/c1-10-6-4-2-3-5(8)7(6)9/h6-7,9H,2-4H2,1H3/t6-,7-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of beta amyloid protein 42


Bioorg Med Chem Lett 16: 3813-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.025
BindingDB Entry DOI: 10.7270/Q2VM4BVF
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2


(Homo sapiens (Human))
BDBM50186514
PNG
((2S,3R)-3-hydroxy-2-methoxycyclohexanone | CHEMBL2...)
Show SMILES CO[C@H]1[C@H](O)CCCC1=O
Show InChI InChI=1S/C7H12O3/c1-10-7-5(8)3-2-4-6(7)9/h5,7-8H,2-4H2,1H3/t5-,7+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of beta amyloid protein 42


Bioorg Med Chem Lett 16: 3813-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.025
BindingDB Entry DOI: 10.7270/Q2VM4BVF
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2


(Homo sapiens (Human))
BDBM50186503
PNG
((2S,3R)-2,3-bis(benzyloxy)cyclohexanone | CHEMBL20...)
Show SMILES O=C1CCC[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
Show InChI InChI=1S/C20H22O3/c21-18-12-7-13-19(22-14-16-8-3-1-4-9-16)20(18)23-15-17-10-5-2-6-11-17/h1-6,8-11,19-20H,7,12-15H2/t19-,20-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of beta amyloid protein 42


Bioorg Med Chem Lett 16: 3813-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.025
BindingDB Entry DOI: 10.7270/Q2VM4BVF
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2


(Homo sapiens (Human))
BDBM50186509
PNG
((2S,3R)-3-(benzyloxy)-5-hydroxy-2-methoxycyclohexa...)
Show SMILES CO[C@H]1[C@@H](CC(O)CC1=O)OCc1ccccc1
Show InChI InChI=1S/C14H18O4/c1-17-14-12(16)7-11(15)8-13(14)18-9-10-5-3-2-4-6-10/h2-6,11,13-15H,7-9H2,1H3/t11?,13-,14-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of beta amyloid protein 40


Bioorg Med Chem Lett 16: 3813-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.025
BindingDB Entry DOI: 10.7270/Q2VM4BVF
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2


(Homo sapiens (Human))
BDBM50186503
PNG
((2S,3R)-2,3-bis(benzyloxy)cyclohexanone | CHEMBL20...)
Show SMILES O=C1CCC[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
Show InChI InChI=1S/C20H22O3/c21-18-12-7-13-19(22-14-16-8-3-1-4-9-16)20(18)23-15-17-10-5-2-6-11-17/h1-6,8-11,19-20H,7,12-15H2/t19-,20-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of beta amyloid protein 40


Bioorg Med Chem Lett 16: 3813-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.025
BindingDB Entry DOI: 10.7270/Q2VM4BVF
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2


(Homo sapiens (Human))
BDBM50186505
PNG
(CHEMBL211287 | methyl 2-benzyl-3-oxopiperidine-1-c...)
Show SMILES COC(=O)N1CCCC(=O)C1Cc1ccccc1
Show InChI InChI=1S/C14H17NO3/c1-18-14(17)15-9-5-8-13(16)12(15)10-11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of beta amyloid protein 40


Bioorg Med Chem Lett 16: 3813-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.025
BindingDB Entry DOI: 10.7270/Q2VM4BVF
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2


(Homo sapiens (Human))
BDBM50186511
PNG
((2S,3R)-3-(benzyloxy)-2-methoxycyclohexanone | CHE...)
Show SMILES CO[C@H]1[C@@H](CCCC1=O)OCc1ccccc1
Show InChI InChI=1S/C14H18O3/c1-16-14-12(15)8-5-9-13(14)17-10-11-6-3-2-4-7-11/h2-4,6-7,13-14H,5,8-10H2,1H3/t13-,14-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of beta amyloid protein 40


Bioorg Med Chem Lett 16: 3813-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.025
BindingDB Entry DOI: 10.7270/Q2VM4BVF
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2


(Homo sapiens (Human))
BDBM50186514
PNG
((2S,3R)-3-hydroxy-2-methoxycyclohexanone | CHEMBL2...)
Show SMILES CO[C@H]1[C@H](O)CCCC1=O
Show InChI InChI=1S/C7H12O3/c1-10-7-5(8)3-2-4-6(7)9/h5,7-8H,2-4H2,1H3/t5-,7+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of beta amyloid protein 40


Bioorg Med Chem Lett 16: 3813-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.025
BindingDB Entry DOI: 10.7270/Q2VM4BVF
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2


(Homo sapiens (Human))
BDBM50186499
PNG
(CHEMBL377425 | benzyl 2-benzyl-3-hydroxypiperidine...)
Show SMILES OC1CCCN(C1Cc1ccccc1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C20H23NO3/c22-19-12-7-13-21(18(19)14-16-8-3-1-4-9-16)20(23)24-15-17-10-5-2-6-11-17/h1-6,8-11,18-19,22H,7,12-15H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of beta amyloid protein 40


Bioorg Med Chem Lett 16: 3813-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.025
BindingDB Entry DOI: 10.7270/Q2VM4BVF
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2


(Homo sapiens (Human))
BDBM50186501
PNG
((2S,3R)-2-(benzyloxy)-5-hydroxy-3-methoxycyclohexa...)
Show SMILES CO[C@@H]1CC(O)CC(=O)[C@H]1OCc1ccccc1
Show InChI InChI=1S/C14H18O4/c1-17-13-8-11(15)7-12(16)14(13)18-9-10-5-3-2-4-6-10/h2-6,11,13-15H,7-9H2,1H3/t11?,13-,14-/m1/s1
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B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
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UniChem

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Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of beta amyloid protein 42


Bioorg Med Chem Lett 16: 3813-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.025
BindingDB Entry DOI: 10.7270/Q2VM4BVF
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%