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PubMed code 18556202

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 PEN-2/Nicastrin [34-709]/Presenilin-1


(Homo sapiens (Human))
BDBM28929
PNG
((2S,3S)-N-(2-chlorophenyl)-1-hydroxy-3-methylpenta...)
Show SMILES CC[C@H](C)[C@@H](CO)NS(=O)(=O)c1ccccc1Cl |r|
Show InChI InChI=1S/C12H18ClNO3S/c1-3-9(2)11(8-15)14-18(16,17)12-7-5-4-6-10(12)13/h4-7,9,11,14-15H,3,8H2,1-2H3/t9-,11+/m0/s1
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PubMed
n/an/an/an/a 5.66E+4n/an/an/an/a



Wyeth Research



Assay Description
A Chinese Hamster Ovary cell line stably expressing human beta-APP were aliquoted into a 96-well plate, and after attachment the medium was replaced ...


Bioorg Med Chem Lett 18: 4232-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.064
BindingDB Entry DOI: 10.7270/Q26Q1VJM
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1


(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 |r|
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 85n/an/an/an/a



Wyeth Research



Assay Description
A Chinese Hamster Ovary cell line stably expressing human beta-APP were aliquoted into a 96-well plate, and after attachment the medium was replaced ...


Bioorg Med Chem Lett 18: 4232-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.064
BindingDB Entry DOI: 10.7270/Q26Q1VJM
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1


(Homo sapiens (Human))
BDBM28950
PNG
((2S)-N-(4-chlorophenyl)-1-hydroxypropane-2-sulfona...)
Show SMILES C[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C9H12ClNO3S/c1-7(6-12)11-15(13,14)9-4-2-8(10)3-5-9/h2-5,7,11-12H,6H2,1H3/t7-/m0/s1
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n/an/an/an/a>1.00E+5n/an/an/an/a



Wyeth Research



Assay Description
A Chinese Hamster Ovary cell line stably expressing human beta-APP were aliquoted into a 96-well plate, and after attachment the medium was replaced ...


Bioorg Med Chem Lett 18: 4232-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.064
BindingDB Entry DOI: 10.7270/Q26Q1VJM
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1


(Homo sapiens (Human))
BDBM28932
PNG
((2S,3S)-1-hydroxy-3-methyl-N-(4-methylphenyl)penta...)
Show SMILES CC[C@H](C)[C@@H](CO)NS(=O)(=O)c1ccc(C)cc1 |r|
Show InChI InChI=1S/C13H21NO3S/c1-4-11(3)13(9-15)14-18(16,17)12-7-5-10(2)6-8-12/h5-8,11,13-15H,4,9H2,1-3H3/t11-,13+/m0/s1
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n/an/an/an/a 1.43E+4n/an/an/an/a



Wyeth Research



Assay Description
A Chinese Hamster Ovary cell line stably expressing human beta-APP were aliquoted into a 96-well plate, and after attachment the medium was replaced ...


Bioorg Med Chem Lett 18: 4232-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.064
BindingDB Entry DOI: 10.7270/Q26Q1VJM
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1


(Homo sapiens (Human))
BDBM28947
PNG
((2S,3S)-2-{[(4-chlorophenyl)methyl]amino}-3-methyl...)
Show SMILES CC[C@H](C)[C@@H](CO)NCc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C13H20ClNO/c1-3-10(2)13(9-16)15-8-11-4-6-12(14)7-5-11/h4-7,10,13,15-16H,3,8-9H2,1-2H3/t10-,13+/m0/s1
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n/an/an/an/a>1.00E+5n/an/an/an/a



Wyeth Research



Assay Description
A Chinese Hamster Ovary cell line stably expressing human beta-APP were aliquoted into a 96-well plate, and after attachment the medium was replaced ...


Bioorg Med Chem Lett 18: 4232-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.064
BindingDB Entry DOI: 10.7270/Q26Q1VJM
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1


(Homo sapiens (Human))
BDBM28953
PNG
((2S)-N-(4-chlorophenyl)-1-hydroxy-3,3-dimethylbuta...)
Show SMILES CC(C)(C)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C12H18ClNO3S/c1-12(2,3)11(8-15)14-18(16,17)10-6-4-9(13)5-7-10/h4-7,11,14-15H,8H2,1-3H3/t11-/m1/s1
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n/an/an/an/a 2.91E+4n/an/an/an/a



Wyeth Research



Assay Description
A Chinese Hamster Ovary cell line stably expressing human beta-APP were aliquoted into a 96-well plate, and after attachment the medium was replaced ...


Bioorg Med Chem Lett 18: 4232-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.064
BindingDB Entry DOI: 10.7270/Q26Q1VJM
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1


(Homo sapiens (Human))
BDBM28954
PNG
((2S)-N-(4-chlorophenyl)-1-hydroxy-4-methylpentane-...)
Show SMILES CC(C)C[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C12H18ClNO3S/c1-9(2)7-11(8-15)14-18(16,17)12-5-3-10(13)4-6-12/h3-6,9,11,14-15H,7-8H2,1-2H3/t11-/m0/s1
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n/an/an/an/a 1.53E+4n/an/an/an/a



Wyeth Research



Assay Description
A Chinese Hamster Ovary cell line stably expressing human beta-APP were aliquoted into a 96-well plate, and after attachment the medium was replaced ...


Bioorg Med Chem Lett 18: 4232-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.064
BindingDB Entry DOI: 10.7270/Q26Q1VJM
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1


(Homo sapiens (Human))
BDBM28959
PNG
((3S,4S)-N-(4-chlorophenyl)-2-hydroxy-2,4-dimethylh...)
Show SMILES CC[C@H](C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(C)(C)O |r|
Show InChI InChI=1S/C14H22ClNO3S/c1-5-10(2)13(14(3,4)17)16-20(18,19)12-8-6-11(15)7-9-12/h6-10,13,16-17H,5H2,1-4H3/t10-,13-/m0/s1
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n/an/an/an/a>1.00E+5n/an/an/an/a



Wyeth Research



Assay Description
A Chinese Hamster Ovary cell line stably expressing human beta-APP were aliquoted into a 96-well plate, and after attachment the medium was replaced ...


Bioorg Med Chem Lett 18: 4232-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.064
BindingDB Entry DOI: 10.7270/Q26Q1VJM
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1


(Homo sapiens (Human))
BDBM28931
PNG
((2S,3S)-N-(4-cyanophenyl)-1-hydroxy-3-methylpentan...)
Show SMILES CC[C@H](C)[C@@H](CO)NS(=O)(=O)c1ccc(cc1)C#N |r|
Show InChI InChI=1S/C13H18N2O3S/c1-3-10(2)13(9-16)15-19(17,18)12-6-4-11(8-14)5-7-12/h4-7,10,13,15-16H,3,9H2,1-2H3/t10-,13+/m0/s1
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n/an/an/an/a>1.00E+5n/an/an/an/a



Wyeth Research



Assay Description
A Chinese Hamster Ovary cell line stably expressing human beta-APP were aliquoted into a 96-well plate, and after attachment the medium was replaced ...


Bioorg Med Chem Lett 18: 4232-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.064
BindingDB Entry DOI: 10.7270/Q26Q1VJM
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1


(Homo sapiens (Human))
BDBM28937
PNG
((2S,3S)-N-[4-(1,1-difluoroethoxy)phenyl]-1-hydroxy...)
Show SMILES CC[C@H](C)[C@@H](CO)NS(=O)(=O)c1ccc(OC(C)(F)F)cc1 |r|
Show InChI InChI=1S/C14H21F2NO4S/c1-4-10(2)13(9-18)17-22(19,20)12-7-5-11(6-8-12)21-14(3,15)16/h5-8,10,13,17-18H,4,9H2,1-3H3/t10-,13+/m0/s1
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n/an/an/an/a 2.35E+4n/an/an/an/a



Wyeth Research



Assay Description
A Chinese Hamster Ovary cell line stably expressing human beta-APP were aliquoted into a 96-well plate, and after attachment the medium was replaced ...


Bioorg Med Chem Lett 18: 4232-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.064
BindingDB Entry DOI: 10.7270/Q26Q1VJM
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1


(Homo sapiens (Human))
BDBM28938
PNG
((2S,3S)-N-(3,4-dichlorophenyl)-1-hydroxy-3-methylp...)
Show SMILES CC[C@H](C)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C12H17Cl2NO3S/c1-3-8(2)12(7-16)15-19(17,18)9-4-5-10(13)11(14)6-9/h4-6,8,12,15-16H,3,7H2,1-2H3/t8-,12+/m0/s1
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n/an/an/an/a 3.70E+4n/an/an/an/a



Wyeth Research



Assay Description
A Chinese Hamster Ovary cell line stably expressing human beta-APP were aliquoted into a 96-well plate, and after attachment the medium was replaced ...


Bioorg Med Chem Lett 18: 4232-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.064
BindingDB Entry DOI: 10.7270/Q26Q1VJM
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1


(Homo sapiens (Human))
BDBM28952
PNG
((2S)-N-(4-chlorophenyl)-1-hydroxy-3-methylbutane-2...)
Show SMILES CC(C)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C11H16ClNO3S/c1-8(2)11(7-14)13-17(15,16)10-5-3-9(12)4-6-10/h3-6,8,11,13-14H,7H2,1-2H3/t11-/m1/s1
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n/an/an/an/a 4.58E+3n/an/an/an/a



Wyeth Research



Assay Description
A Chinese Hamster Ovary cell line stably expressing human beta-APP were aliquoted into a 96-well plate, and after attachment the medium was replaced ...


Bioorg Med Chem Lett 18: 4232-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.064
BindingDB Entry DOI: 10.7270/Q26Q1VJM
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1


(Homo sapiens (Human))
BDBM28923
PNG
((2S)-N-(4-chlorophenyl)-3-ethyl-1-hydroxypentane-2...)
Show SMILES CCC(CC)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C13H20ClNO3S/c1-3-10(4-2)13(9-16)15-19(17,18)12-7-5-11(14)6-8-12/h5-8,10,13,15-16H,3-4,9H2,1-2H3/t13-/m1/s1
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n/an/an/an/a 294n/an/an/an/a



Wyeth Research



Assay Description
A Chinese Hamster Ovary cell line stably expressing human beta-APP were aliquoted into a 96-well plate, and after attachment the medium was replaced ...


Bioorg Med Chem Lett 18: 4232-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.064
BindingDB Entry DOI: 10.7270/Q26Q1VJM
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1


(Homo sapiens (Human))
BDBM28956
PNG
((1S)-N-(4-chlorophenyl)-1-cyclohexyl-2-hydroxyetha...)
Show SMILES OC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C1CCCCC1 |r|
Show InChI InChI=1S/C14H20ClNO3S/c15-12-6-8-13(9-7-12)20(18,19)16-14(10-17)11-4-2-1-3-5-11/h6-9,11,14,16-17H,1-5,10H2/t14-/m1/s1
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n/an/an/an/a 1.12E+3n/an/an/an/a



Wyeth Research



Assay Description
A Chinese Hamster Ovary cell line stably expressing human beta-APP were aliquoted into a 96-well plate, and after attachment the medium was replaced ...


Bioorg Med Chem Lett 18: 4232-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.064
BindingDB Entry DOI: 10.7270/Q26Q1VJM
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1


(Homo sapiens (Human))
BDBM28939
PNG
((2S,3S)-N-(4-chloro-3-fluorophenyl)-1-hydroxy-3-me...)
Show SMILES CC[C@H](C)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)c(F)c1 |r|
Show InChI InChI=1S/C12H17ClFNO3S/c1-3-8(2)12(7-16)15-19(17,18)9-4-5-10(13)11(14)6-9/h4-6,8,12,15-16H,3,7H2,1-2H3/t8-,12+/m0/s1
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n/an/an/an/a 7.84E+3n/an/an/an/a



Wyeth Research



Assay Description
A Chinese Hamster Ovary cell line stably expressing human beta-APP were aliquoted into a 96-well plate, and after attachment the medium was replaced ...


Bioorg Med Chem Lett 18: 4232-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.064
BindingDB Entry DOI: 10.7270/Q26Q1VJM
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1


(Homo sapiens (Human))
BDBM28941
PNG
((2S,3S)-N-(3,5-dichlorophenyl)-1-hydroxy-3-methylp...)
Show SMILES CC[C@H](C)[C@@H](CO)NS(=O)(=O)c1cc(Cl)cc(Cl)c1 |r|
Show InChI InChI=1S/C12H17Cl2NO3S/c1-3-8(2)12(7-16)15-19(17,18)11-5-9(13)4-10(14)6-11/h4-6,8,12,15-16H,3,7H2,1-2H3/t8-,12+/m0/s1
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n/an/an/an/a 2.35E+4n/an/an/an/a



Wyeth Research



Assay Description
A Chinese Hamster Ovary cell line stably expressing human beta-APP were aliquoted into a 96-well plate, and after attachment the medium was replaced ...


Bioorg Med Chem Lett 18: 4232-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.064
BindingDB Entry DOI: 10.7270/Q26Q1VJM
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1


(Homo sapiens (Human))
BDBM28943
PNG
((2S,3S)-1-hydroxy-3-methyl-N-phenylpentane-2-sulfo...)
Show SMILES CC[C@H](C)[C@@H](CO)NS(=O)(=O)c1ccccc1 |r|
Show InChI InChI=1S/C12H19NO3S/c1-3-10(2)12(9-14)13-17(15,16)11-7-5-4-6-8-11/h4-8,10,12-14H,3,9H2,1-2H3/t10-,12+/m0/s1
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n/an/an/an/a 4.15E+3n/an/an/an/a



Wyeth Research



Assay Description
A Chinese Hamster Ovary cell line stably expressing human beta-APP were aliquoted into a 96-well plate, and after attachment the medium was replaced ...


Bioorg Med Chem Lett 18: 4232-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.064
BindingDB Entry DOI: 10.7270/Q26Q1VJM
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1


(Homo sapiens (Human))
BDBM28955
PNG
((2S,3R)-N-(4-chlorophenyl)-1-hydroxy-3-methylpenta...)
Show SMILES CC[C@@H](C)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C12H18ClNO3S/c1-3-9(2)12(8-15)14-18(16,17)11-6-4-10(13)5-7-11/h4-7,9,12,14-15H,3,8H2,1-2H3/t9-,12-/m1/s1
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n/an/an/an/a 758n/an/an/an/a



Wyeth Research



Assay Description
A Chinese Hamster Ovary cell line stably expressing human beta-APP were aliquoted into a 96-well plate, and after attachment the medium was replaced ...


Bioorg Med Chem Lett 18: 4232-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.064
BindingDB Entry DOI: 10.7270/Q26Q1VJM
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1


(Homo sapiens (Human))
BDBM28957
PNG
((1S)-N-(4-chlorophenyl)-2-hydroxy-1-phenylethane-1...)
Show SMILES OC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 |r|
Show InChI InChI=1S/C14H14ClNO3S/c15-12-6-8-13(9-7-12)20(18,19)16-14(10-17)11-4-2-1-3-5-11/h1-9,14,16-17H,10H2/t14-/m1/s1
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n/an/an/an/a 6.88E+4n/an/an/an/a



Wyeth Research



Assay Description
A Chinese Hamster Ovary cell line stably expressing human beta-APP were aliquoted into a 96-well plate, and after attachment the medium was replaced ...


Bioorg Med Chem Lett 18: 4232-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.064
BindingDB Entry DOI: 10.7270/Q26Q1VJM
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1


(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



Assay Description
A Chinese Hamster Ovary cell line stably expressing human beta-APP were aliquoted into a 96-well plate, and after attachment the medium was replaced ...


Bioorg Med Chem Lett 18: 4232-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.064
BindingDB Entry DOI: 10.7270/Q26Q1VJM
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1


(Homo sapiens (Human))
BDBM28936
PNG
((2S,3S)-1-hydroxy-3-methyl-N-(4-nitrophenyl)pentan...)
Show SMILES CC[C@H](C)[C@@H](CO)NS(=O)(=O)c1ccc(cc1)[N+]([O-])=O |r|
Show InChI InChI=1S/C12H18N2O5S/c1-3-9(2)12(8-15)13-20(18,19)11-6-4-10(5-7-11)14(16)17/h4-7,9,12-13,15H,3,8H2,1-2H3/t9-,12+/m0/s1
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n/an/an/an/a 2.09E+4n/an/an/an/a



Wyeth Research



Assay Description
A Chinese Hamster Ovary cell line stably expressing human beta-APP were aliquoted into a 96-well plate, and after attachment the medium was replaced ...


Bioorg Med Chem Lett 18: 4232-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.064
BindingDB Entry DOI: 10.7270/Q26Q1VJM
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1


(Homo sapiens (Human))
BDBM28940
PNG
((2S,3S)-N-(2,3-dichlorophenyl)-1-hydroxy-3-methylp...)
Show SMILES CC[C@H](C)[C@@H](CO)NS(=O)(=O)c1cccc(Cl)c1Cl |r|
Show InChI InChI=1S/C12H17Cl2NO3S/c1-3-8(2)10(7-16)15-19(17,18)11-6-4-5-9(13)12(11)14/h4-6,8,10,15-16H,3,7H2,1-2H3/t8-,10+/m0/s1
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n/an/an/an/a 4.27E+3n/an/an/an/a



Wyeth Research



Assay Description
A Chinese Hamster Ovary cell line stably expressing human beta-APP were aliquoted into a 96-well plate, and after attachment the medium was replaced ...


Bioorg Med Chem Lett 18: 4232-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.064
BindingDB Entry DOI: 10.7270/Q26Q1VJM
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1


(Homo sapiens (Human))
BDBM28944
PNG
((2S)-2-hydroxy-3-methyl-N-[(1S)-1-{[(1S)-3-methyl-...)
Show SMILES CC(C)[C@H](O)C(=O)N[C@@H](C)C(=O)N[C@H]1c2ccccc2CCN(C)C1=O |r|
Show InChI InChI=1S/C19H27N3O4/c1-11(2)16(23)18(25)20-12(3)17(24)21-15-14-8-6-5-7-13(14)9-10-22(4)19(15)26/h5-8,11-12,15-16,23H,9-10H2,1-4H3,(H,20,25)(H,21,24)/t12-,15-,16-/m0/s1
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n/an/an/an/a 28n/an/an/an/a



Wyeth Research



Assay Description
A Chinese Hamster Ovary cell line stably expressing human beta-APP were aliquoted into a 96-well plate, and after attachment the medium was replaced ...


Bioorg Med Chem Lett 18: 4232-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.064
BindingDB Entry DOI: 10.7270/Q26Q1VJM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1


(Homo sapiens (Human))
BDBM28951
PNG
((2S)-N-(4-chlorophenyl)-1-hydroxybutane-2-sulfonam...)
Show SMILES CC[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C10H14ClNO3S/c1-2-9(7-13)12-16(14,15)10-5-3-8(11)4-6-10/h3-6,9,12-13H,2,7H2,1H3/t9-/m0/s1
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n/an/an/an/a>1.00E+5n/an/an/an/a



Wyeth Research



Assay Description
A Chinese Hamster Ovary cell line stably expressing human beta-APP were aliquoted into a 96-well plate, and after attachment the medium was replaced ...


Bioorg Med Chem Lett 18: 4232-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.064
BindingDB Entry DOI: 10.7270/Q26Q1VJM
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1


(Homo sapiens (Human))
BDBM28920
PNG
((2S,3S)-N-(4-chlorophenyl)-1-hydroxy-3-methylpenta...)
Show SMILES CC[C@H](C)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C12H18ClNO3S/c1-3-9(2)12(8-15)14-18(16,17)11-6-4-10(13)5-7-11/h4-7,9,12,14-15H,3,8H2,1-2H3/t9-,12+/m0/s1
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n/an/an/an/a 5.45E+3n/an/an/an/a



Wyeth Research



Assay Description
A Chinese Hamster Ovary cell line stably expressing human beta-APP were aliquoted into a 96-well plate, and after attachment the medium was replaced ...


Bioorg Med Chem Lett 18: 4232-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.064
BindingDB Entry DOI: 10.7270/Q26Q1VJM
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1


(Homo sapiens (Human))
BDBM28928
PNG
((2S,3S)-N-(3-chlorophenyl)-1-hydroxy-3-methylpenta...)
Show SMILES CC[C@H](C)[C@@H](CO)NS(=O)(=O)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C12H18ClNO3S/c1-3-9(2)12(8-15)14-18(16,17)11-6-4-5-10(13)7-11/h4-7,9,12,14-15H,3,8H2,1-2H3/t9-,12+/m0/s1
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n/an/an/an/a 1.83E+4n/an/an/an/a



Wyeth Research



Assay Description
A Chinese Hamster Ovary cell line stably expressing human beta-APP were aliquoted into a 96-well plate, and after attachment the medium was replaced ...


Bioorg Med Chem Lett 18: 4232-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.064
BindingDB Entry DOI: 10.7270/Q26Q1VJM
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1


(Homo sapiens (Human))
BDBM28930
PNG
((2S,3S)-N-(4-fluorophenyl)-1-hydroxy-3-methylpenta...)
Show SMILES CC[C@H](C)[C@@H](CO)NS(=O)(=O)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C12H18FNO3S/c1-3-9(2)12(8-15)14-18(16,17)11-6-4-10(13)5-7-11/h4-7,9,12,14-15H,3,8H2,1-2H3/t9-,12+/m0/s1
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n/an/an/an/a 4.24E+3n/an/an/an/a



Wyeth Research



Assay Description
A Chinese Hamster Ovary cell line stably expressing human beta-APP were aliquoted into a 96-well plate, and after attachment the medium was replaced ...


Bioorg Med Chem Lett 18: 4232-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.064
BindingDB Entry DOI: 10.7270/Q26Q1VJM
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1


(Homo sapiens (Human))
BDBM28933
PNG
((2S,3S)-1-hydroxy-3-methyl-N-[4-(trifluoromethyl)p...)
Show SMILES CC[C@H](C)[C@@H](CO)NS(=O)(=O)c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C13H18F3NO3S/c1-3-9(2)12(8-18)17-21(19,20)11-6-4-10(5-7-11)13(14,15)16/h4-7,9,12,17-18H,3,8H2,1-2H3/t9-,12+/m0/s1
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n/an/an/an/a 1.31E+4n/an/an/an/a



Wyeth Research



Assay Description
A Chinese Hamster Ovary cell line stably expressing human beta-APP were aliquoted into a 96-well plate, and after attachment the medium was replaced ...


Bioorg Med Chem Lett 18: 4232-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.064
BindingDB Entry DOI: 10.7270/Q26Q1VJM
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1


(Homo sapiens (Human))
BDBM28934
PNG
((2S,3S)-N-(4-acetylphenyl)-1-hydroxy-3-methylpenta...)
Show SMILES CC[C@H](C)[C@@H](CO)NS(=O)(=O)c1ccc(cc1)C(C)=O |r|
Show InChI InChI=1S/C14H21NO4S/c1-4-10(2)14(9-16)15-20(18,19)13-7-5-12(6-8-13)11(3)17/h5-8,10,14-16H,4,9H2,1-3H3/t10-,14+/m0/s1
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n/an/an/an/a 6.02E+3n/an/an/an/a



Wyeth Research



Assay Description
A Chinese Hamster Ovary cell line stably expressing human beta-APP were aliquoted into a 96-well plate, and after attachment the medium was replaced ...


Bioorg Med Chem Lett 18: 4232-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.064
BindingDB Entry DOI: 10.7270/Q26Q1VJM
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1


(Homo sapiens (Human))
BDBM28935
PNG
((2S,3S)-1-hydroxy-N-(4-methanesulfonylphenyl)-3-me...)
Show SMILES CC[C@H](C)[C@@H](CO)NS(=O)(=O)c1ccc(cc1)S(C)(=O)=O |r|
Show InChI InChI=1S/C13H21NO5S2/c1-4-10(2)13(9-15)14-21(18,19)12-7-5-11(6-8-12)20(3,16)17/h5-8,10,13-15H,4,9H2,1-3H3/t10-,13+/m0/s1
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n/an/an/an/a>1.00E+5n/an/an/an/a



Wyeth Research



Assay Description
A Chinese Hamster Ovary cell line stably expressing human beta-APP were aliquoted into a 96-well plate, and after attachment the medium was replaced ...


Bioorg Med Chem Lett 18: 4232-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.064
BindingDB Entry DOI: 10.7270/Q26Q1VJM
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1


(Homo sapiens (Human))
BDBM28942
PNG
((2S,3S)-N-(2,5-dichlorophenyl)-1-hydroxy-3-methylp...)
Show SMILES CC[C@H](C)[C@@H](CO)NS(=O)(=O)c1cc(Cl)ccc1Cl |r|
Show InChI InChI=1S/C12H17Cl2NO3S/c1-3-8(2)11(7-16)15-19(17,18)12-6-9(13)4-5-10(12)14/h4-6,8,11,15-16H,3,7H2,1-2H3/t8-,11+/m0/s1
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n/an/an/an/a 5.48E+4n/an/an/an/a



Wyeth Research



Assay Description
A Chinese Hamster Ovary cell line stably expressing human beta-APP were aliquoted into a 96-well plate, and after attachment the medium was replaced ...


Bioorg Med Chem Lett 18: 4232-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.064
BindingDB Entry DOI: 10.7270/Q26Q1VJM
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1


(Homo sapiens (Human))
BDBM28946
PNG
(4-chloro-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]...)
Show SMILES CC[C@H](C)[C@@H](CO)NC(=O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C13H18ClNO2/c1-3-9(2)12(8-16)15-13(17)10-4-6-11(14)7-5-10/h4-7,9,12,16H,3,8H2,1-2H3,(H,15,17)/t9-,12+/m0/s1
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n/an/an/an/a>1.00E+5n/an/an/an/a



Wyeth Research



Assay Description
A Chinese Hamster Ovary cell line stably expressing human beta-APP were aliquoted into a 96-well plate, and after attachment the medium was replaced ...


Bioorg Med Chem Lett 18: 4232-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.064
BindingDB Entry DOI: 10.7270/Q26Q1VJM
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1


(Homo sapiens (Human))
BDBM28949
PNG
(1-(4-chlorophenyl)-3-[(2S,3S)-1-hydroxy-3-methylpe...)
Show SMILES CC[C@H](C)[C@@H](CO)NC(=O)Nc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C13H19ClN2O2/c1-3-9(2)12(8-17)16-13(18)15-11-6-4-10(14)5-7-11/h4-7,9,12,17H,3,8H2,1-2H3,(H2,15,16,18)/t9-,12+/m0/s1
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n/an/an/an/a 4.73E+4n/an/an/an/a



Wyeth Research



Assay Description
A Chinese Hamster Ovary cell line stably expressing human beta-APP were aliquoted into a 96-well plate, and after attachment the medium was replaced ...


Bioorg Med Chem Lett 18: 4232-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.064
BindingDB Entry DOI: 10.7270/Q26Q1VJM
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1


(Homo sapiens (Human))
BDBM28921
PNG
((2S,3S)-N-(4-bromophenyl)-1-hydroxy-3-methylpentan...)
Show SMILES CC[C@H](C)[C@@H](CO)NS(=O)(=O)c1ccc(Br)cc1 |r|
Show InChI InChI=1S/C12H18BrNO3S/c1-3-9(2)12(8-15)14-18(16,17)11-6-4-10(13)5-7-11/h4-7,9,12,14-15H,3,8H2,1-2H3/t9-,12+/m0/s1
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n/an/an/an/a 2.21E+3n/an/an/an/a



Wyeth Research



Assay Description
A Chinese Hamster Ovary cell line stably expressing human beta-APP were aliquoted into a 96-well plate, and after attachment the medium was replaced ...


Bioorg Med Chem Lett 18: 4232-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.064
BindingDB Entry DOI: 10.7270/Q26Q1VJM
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1


(Homo sapiens (Human))
BDBM28948
PNG
(2-(4-chlorophenyl)-N-[(2S,3S)-1-hydroxy-3-methylpe...)
Show SMILES CC[C@H](C)[C@@H](CO)NC(=O)Cc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C14H20ClNO2/c1-3-10(2)13(9-17)16-14(18)8-11-4-6-12(15)7-5-11/h4-7,10,13,17H,3,8-9H2,1-2H3,(H,16,18)/t10-,13+/m0/s1
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n/an/an/an/a>1.00E+5n/an/an/an/a



Wyeth Research



Assay Description
A Chinese Hamster Ovary cell line stably expressing human beta-APP were aliquoted into a 96-well plate, and after attachment the medium was replaced ...


Bioorg Med Chem Lett 18: 4232-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.064
BindingDB Entry DOI: 10.7270/Q26Q1VJM
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1


(Homo sapiens (Human))
BDBM28958
PNG
((3S,4S)-N-(4-chlorophenyl)-2-hydroxy-4-methylhexan...)
Show SMILES CC[C@H](C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(C)O |r|
Show InChI InChI=1S/C13H20ClNO3S/c1-4-9(2)13(10(3)16)15-19(17,18)12-7-5-11(14)6-8-12/h5-10,13,15-16H,4H2,1-3H3/t9-,10?,13-/m0/s1
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Article
PubMed
n/an/an/an/a 4.93E+4n/an/an/an/a



Wyeth Research



Assay Description
A Chinese Hamster Ovary cell line stably expressing human beta-APP were aliquoted into a 96-well plate, and after attachment the medium was replaced ...


Bioorg Med Chem Lett 18: 4232-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.064
BindingDB Entry DOI: 10.7270/Q26Q1VJM
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit PEN-2/Nicastrin [34-709]/Presenilin-1


(Homo sapiens (Human))
BDBM28945
PNG
([(4-chlorophenyl)sulfamoyl][(2S,3S)-1-hydroxy-3-me...)
Show SMILES CC[C@H](C)[C@@H](CO)NS(=O)(=O)Nc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C12H19ClN2O3S/c1-3-9(2)12(8-16)15-19(17,18)14-11-6-4-10(13)5-7-11/h4-7,9,12,14-16H,3,8H2,1-2H3/t9-,12+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>3.00E+4n/an/an/an/a



Wyeth Research



Assay Description
A Chinese Hamster Ovary cell line stably expressing human beta-APP were aliquoted into a 96-well plate, and after attachment the medium was replaced ...


Bioorg Med Chem Lett 18: 4232-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.064
BindingDB Entry DOI: 10.7270/Q26Q1VJM
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%