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Compile Data Set for Download or QSAR

Found 191 hits with Last Name = 'parker' and Initial = 'p'   
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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))		BDBM25041
PNG
(N'-[(1E)-{6-cyanoimidazo[1,2-a]pyridin-3-yl}methyl...)
Show SMILES CN(\N=C\c1cnc2ccc(cn12)C#N)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O
Show InChI InChI=1S/C17H14N6O4S/c1-12-3-5-14(23(24)25)7-16(12)28(26,27)21(2)20-10-15-9-19-17-6-4-13(8-18)11-22(15)17/h3-7,9-11H,1-2H3/b20-10+
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n/an/a 0.260n/an/an/an/a7.422



Astellas Pharma Inc.



Assay Description
The test compounds and enzyme were mixed in buffer, and the substrate and [gamma-33P] ATP/ATP were added to the mixture to initiate the reaction. Aft...

Bioorg Med Chem 15: 5837-44 (2007)


Article DOI: 10.1016/j.bmc.2007.05.070
BindingDB Entry DOI: 10.7270/Q2X928M7
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))		BDBM25036
PNG
(CHEMBL393525 | N'-[(1E)-{6-bromoimidazo[1,2-a]pyri...)
Show SMILES CN(\N=C\c1cnc2ccc(Br)cn12)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O
Show InChI InChI=1S/C16H14BrN5O4S/c1-11-3-5-13(22(23)24)7-15(11)27(25,26)20(2)19-9-14-8-18-16-6-4-12(17)10-21(14)16/h3-10H,1-2H3/b19-9+
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n/an/a 0.300n/an/an/an/a7.422



Astellas Pharma Inc.



Assay Description
The test compounds and enzyme were mixed in buffer, and the substrate and [gamma-33P] ATP/ATP were added to the mixture to initiate the reaction. Aft...

Bioorg Med Chem 15: 5837-44 (2007)


Article DOI: 10.1016/j.bmc.2007.05.070
BindingDB Entry DOI: 10.7270/Q2X928M7
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50483746
PNG
(CHEMBL1770758)
Show SMILES CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cn(cn1)C(CC)CC |r|
Show InChI InChI=1S/C21H28F2N4O2/c1-4-7-18(25-20(28)10-14-8-15(22)11-16(23)9-14)21(29)26-19-12-27(13-24-19)17(5-2)6-3/h8-9,11-13,17-18H,4-7,10H2,1-3H3,(H,25,28)(H,26,29)/t18-/m0/s1
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n/an/a 0.390n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase in human HeLa cells assessed as inhibition of amyloid beta (1 to 40) production by DELFIA-based immunoassay

Bioorg Med Chem Lett 21: 2631-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.117
BindingDB Entry DOI: 10.7270/Q2K64MX1
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50483743
PNG
(CHEMBL1770899)
Show SMILES CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cn(cn1)C(C)(C)CNCC1CCOCC1 |r|
Show InChI InChI=1S/C26H37F2N5O3/c1-4-5-22(31-24(34)12-19-10-20(27)13-21(28)11-19)25(35)32-23-15-33(17-30-23)26(2,3)16-29-14-18-6-8-36-9-7-18/h10-11,13,15,17-18,22,29H,4-9,12,14,16H2,1-3H3,(H,31,34)(H,32,35)/t22-/m0/s1
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n/an/a 0.400n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase in human H4 cells expressing APP Swedish mutant assessed as inhibition of amyloid beta (1 to 40) production by whole ce...

Bioorg Med Chem Lett 21: 2631-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.117
BindingDB Entry DOI: 10.7270/Q2K64MX1
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50483742
PNG
(CHEMBL1770898)
Show SMILES CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cn(cn1)C(C)(C)CNCC(C)(C)C |r|
Show InChI InChI=1S/C25H37F2N5O2/c1-7-8-20(30-22(33)11-17-9-18(26)12-19(27)10-17)23(34)31-21-13-32(16-29-21)25(5,6)15-28-14-24(2,3)4/h9-10,12-13,16,20,28H,7-8,11,14-15H2,1-6H3,(H,30,33)(H,31,34)/t20-/m0/s1
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n/an/a 0.400n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase in human H4 cells expressing APP Swedish mutant assessed as inhibition of amyloid beta (1 to 40) production by whole ce...

Bioorg Med Chem Lett 21: 2631-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.117
BindingDB Entry DOI: 10.7270/Q2K64MX1
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50483760
PNG
(CHEMBL1770893)
Show SMILES CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cn(cn1)C(C)(C)CN1CCOCC1 |r|
Show InChI InChI=1S/C24H33F2N5O3/c1-4-5-20(28-22(32)12-17-10-18(25)13-19(26)11-17)23(33)29-21-14-31(16-27-21)24(2,3)15-30-6-8-34-9-7-30/h10-11,13-14,16,20H,4-9,12,15H2,1-3H3,(H,28,32)(H,29,33)/t20-/m0/s1
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n/an/a 0.400n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase in human H4 cells expressing APP Swedish mutant assessed as inhibition of amyloid beta (1 to 40) production by whole ce...

Bioorg Med Chem Lett 21: 2631-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.117
BindingDB Entry DOI: 10.7270/Q2K64MX1
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50483743
PNG
(CHEMBL1770899)
Show SMILES CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cn(cn1)C(C)(C)CNCC1CCOCC1 |r|
Show InChI InChI=1S/C26H37F2N5O3/c1-4-5-22(31-24(34)12-19-10-20(27)13-21(28)11-19)25(35)32-23-15-33(17-30-23)26(2,3)16-29-14-18-6-8-36-9-7-18/h10-11,13,15,17-18,22,29H,4-9,12,14,16H2,1-3H3,(H,31,34)(H,32,35)/t22-/m0/s1
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n/an/a 0.5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase in human HeLa cells assessed as inhibition of amyloid beta (1 to 40) production by DELFIA-based immunoassay

Bioorg Med Chem Lett 21: 2631-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.117
BindingDB Entry DOI: 10.7270/Q2K64MX1
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50483760
PNG
(CHEMBL1770893)
Show SMILES CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cn(cn1)C(C)(C)CN1CCOCC1 |r|
Show InChI InChI=1S/C24H33F2N5O3/c1-4-5-20(28-22(32)12-17-10-18(25)13-19(26)11-17)23(33)29-21-14-31(16-27-21)24(2,3)15-30-6-8-34-9-7-30/h10-11,13-14,16,20H,4-9,12,15H2,1-3H3,(H,28,32)(H,29,33)/t20-/m0/s1
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n/an/a 0.600n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase in human HeLa cells assessed as inhibition of amyloid beta (1 to 40) production by DELFIA-based immunoassay

Bioorg Med Chem Lett 21: 2631-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.117
BindingDB Entry DOI: 10.7270/Q2K64MX1
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))		BDBM25037
PNG
(N'-[(1E)-{6-chloroimidazo[1,2-a]pyridin-3-yl}methy...)
Show SMILES CN(\N=C\c1cnc2ccc(Cl)cn12)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O
Show InChI InChI=1S/C16H14ClN5O4S/c1-11-3-5-13(22(23)24)7-15(11)27(25,26)20(2)19-9-14-8-18-16-6-4-12(17)10-21(14)16/h3-10H,1-2H3/b19-9+
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n/an/a 0.770n/an/an/an/a7.422



Astellas Pharma Inc.



Assay Description
The test compounds and enzyme were mixed in buffer, and the substrate and [gamma-33P] ATP/ATP were added to the mixture to initiate the reaction. Aft...

Bioorg Med Chem 15: 5837-44 (2007)


Article DOI: 10.1016/j.bmc.2007.05.070
BindingDB Entry DOI: 10.7270/Q2X928M7
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50483756
PNG
(CHEMBL1770885)
Show SMILES CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cn(cn1)C(C)(C)CN1CCCC1 |r|
Show InChI InChI=1S/C24H33F2N5O2/c1-4-7-20(28-22(32)12-17-10-18(25)13-19(26)11-17)23(33)29-21-14-31(16-27-21)24(2,3)15-30-8-5-6-9-30/h10-11,13-14,16,20H,4-9,12,15H2,1-3H3,(H,28,32)(H,29,33)/t20-/m0/s1
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n/an/a 0.800n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase in human H4 cells expressing APP Swedish mutant assessed as inhibition of amyloid beta (1 to 40) production by whole ce...

Bioorg Med Chem Lett 21: 2631-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.117
BindingDB Entry DOI: 10.7270/Q2K64MX1
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50483756
PNG
(CHEMBL1770885)
Show SMILES CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cn(cn1)C(C)(C)CN1CCCC1 |r|
Show InChI InChI=1S/C24H33F2N5O2/c1-4-7-20(28-22(32)12-17-10-18(25)13-19(26)11-17)23(33)29-21-14-31(16-27-21)24(2,3)15-30-8-5-6-9-30/h10-11,13-14,16,20H,4-9,12,15H2,1-3H3,(H,28,32)(H,29,33)/t20-/m0/s1
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n/an/a 0.900n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase in human HeLa cells assessed as inhibition of amyloid beta (1 to 40) production by DELFIA-based immunoassay

Bioorg Med Chem Lett 21: 2631-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.117
BindingDB Entry DOI: 10.7270/Q2K64MX1
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50483742
PNG
(CHEMBL1770898)
Show SMILES CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cn(cn1)C(C)(C)CNCC(C)(C)C |r|
Show InChI InChI=1S/C25H37F2N5O2/c1-7-8-20(30-22(33)11-17-9-18(26)12-19(27)10-17)23(34)31-21-13-32(16-29-21)25(5,6)15-28-14-24(2,3)4/h9-10,12-13,16,20,28H,7-8,11,14-15H2,1-6H3,(H,30,33)(H,31,34)/t20-/m0/s1
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n/an/a 1.10n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase in human HeLa cells assessed as inhibition of amyloid beta (1 to 40) production by DELFIA-based immunoassay

Bioorg Med Chem Lett 21: 2631-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.117
BindingDB Entry DOI: 10.7270/Q2K64MX1
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50458159
PNG
(Nirogacestat | PF 03084014 | PF 3084014 | PF-03084...)
Show SMILES CCC[C@H](N[C@H]1CCc2cc(F)cc(F)c2C1)C(=O)Nc1cn(cn1)C(C)(C)CNCC(C)(C)C |r|
Show InChI InChI=1S/C27H41F2N5O/c1-7-8-23(32-20-10-9-18-11-19(28)12-22(29)21(18)13-20)25(35)33-24-14-34(17-31-24)27(5,6)16-30-15-26(2,3)4/h11-12,14,17,20,23,30,32H,7-10,13,15-16H2,1-6H3,(H,33,35)/t20-,23-/m0/s1
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n/an/a 1.20n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase in human H4 cells expressing APP Swedish mutant assessed as inhibition of amyloid beta (1 to 40) production by whole ce...

Bioorg Med Chem Lett 21: 2637-40 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.118
BindingDB Entry DOI: 10.7270/Q2FF3W75
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50483759
PNG
(CHEMBL1770760)
Show SMILES CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cn(cn1)C(C)(C)CC(=O)OC |r|
Show InChI InChI=1S/C22H28F2N4O4/c1-5-6-17(26-19(29)9-14-7-15(23)10-16(24)8-14)21(31)27-18-12-28(13-25-18)22(2,3)11-20(30)32-4/h7-8,10,12-13,17H,5-6,9,11H2,1-4H3,(H,26,29)(H,27,31)/t17-/m0/s1
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n/an/a 1.20n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase in human HeLa cells assessed as inhibition of amyloid beta (1 to 40) production by DELFIA-based immunoassay

Bioorg Med Chem Lett 21: 2631-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.117
BindingDB Entry DOI: 10.7270/Q2K64MX1
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50483759
PNG
(CHEMBL1770760)
Show SMILES CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cn(cn1)C(C)(C)CC(=O)OC |r|
Show InChI InChI=1S/C22H28F2N4O4/c1-5-6-17(26-19(29)9-14-7-15(23)10-16(24)8-14)21(31)27-18-12-28(13-25-18)22(2,3)11-20(30)32-4/h7-8,10,12-13,17H,5-6,9,11H2,1-4H3,(H,26,29)(H,27,31)/t17-/m0/s1
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase in human H4 cells expressing APP Swedish mutant assessed as inhibition of amyloid beta (1 to 40) production by whole ce...

Bioorg Med Chem Lett 21: 2631-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.117
BindingDB Entry DOI: 10.7270/Q2K64MX1
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50483753
PNG
(CHEMBL1770897)
Show SMILES CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cn(cn1)C(C)(C)CNCc1ccccc1 |r|
Show InChI InChI=1S/C27H33F2N5O2/c1-4-8-23(32-25(35)13-20-11-21(28)14-22(29)12-20)26(36)33-24-16-34(18-31-24)27(2,3)17-30-15-19-9-6-5-7-10-19/h5-7,9-12,14,16,18,23,30H,4,8,13,15,17H2,1-3H3,(H,32,35)(H,33,36)/t23-/m0/s1
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n/an/a 1.70n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase in human HeLa cells assessed as inhibition of amyloid beta (1 to 40) production by DELFIA-based immunoassay

Bioorg Med Chem Lett 21: 2631-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.117
BindingDB Entry DOI: 10.7270/Q2K64MX1
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))		BDBM25052
PNG
(3-{6-bromoimidazo[1,2-a]pyridin-3-yl}-1-[(2-methyl...)
Show SMILES Cc1ccc(cc1S(=O)(=O)n1ccc(n1)-c1cnc2ccc(Br)cn12)[N+]([O-])=O
Show InChI InChI=1S/C17H12BrN5O4S/c1-11-2-4-13(23(24)25)8-16(11)28(26,27)22-7-6-14(20-22)15-9-19-17-5-3-12(18)10-21(15)17/h2-10H,1H3
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n/an/a 1.80n/an/an/an/a7.422



Astellas Pharma Inc.



Assay Description
The test compounds and enzyme were mixed in buffer, and the substrate and [gamma-33P] ATP/ATP were added to the mixture to initiate the reaction. Aft...

Bioorg Med Chem 15: 403-12 (2007)


Article DOI: 10.1016/j.bmc.2006.09.047
BindingDB Entry DOI: 10.7270/Q2SJ1HXZ
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50483746
PNG
(CHEMBL1770758)
Show SMILES CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cn(cn1)C(CC)CC |r|
Show InChI InChI=1S/C21H28F2N4O2/c1-4-7-18(25-20(28)10-14-8-15(22)11-16(23)9-14)21(29)26-19-12-27(13-24-19)17(5-2)6-3/h8-9,11-13,17-18H,4-7,10H2,1-3H3,(H,25,28)(H,26,29)/t18-/m0/s1
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n/an/a 2.40n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase in human H4 cells expressing APP Swedish mutant assessed as inhibition of amyloid beta (1 to 40) production by whole ce...

Bioorg Med Chem Lett 21: 2631-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.117
BindingDB Entry DOI: 10.7270/Q2K64MX1
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50483755
PNG
(CHEMBL1770761)
Show SMILES CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cn(cn1)C(C)(C)CO |r|
Show InChI InChI=1S/C20H26F2N4O3/c1-4-5-16(24-18(28)8-13-6-14(21)9-15(22)7-13)19(29)25-17-10-26(12-23-17)20(2,3)11-27/h6-7,9-10,12,16,27H,4-5,8,11H2,1-3H3,(H,24,28)(H,25,29)/t16-/m0/s1
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n/an/a 2.5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase in human HeLa cells assessed as inhibition of amyloid beta (1 to 40) production by DELFIA-based immunoassay

Bioorg Med Chem Lett 21: 2631-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.117
BindingDB Entry DOI: 10.7270/Q2K64MX1
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))		BDBM25018
PNG
(3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phe...)
Show SMILES Oc1cccc(c1)-c1nc(N2CCOCC2)c2sccc2n1
Show InChI InChI=1S/C16H15N3O2S/c20-12-3-1-2-11(10-12)15-17-13-4-9-22-14(13)16(18-15)19-5-7-21-8-6-19/h1-4,9-10,20H,5-8H2
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n/an/a 2.5n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of p110alpha by SPA assay

Bioorg Med Chem Lett 17: 2438-42 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.032
BindingDB Entry DOI: 10.7270/Q28053F2
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))		BDBM25018
PNG
(3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phe...)
Show SMILES Oc1cccc(c1)-c1nc(N2CCOCC2)c2sccc2n1
Show InChI InChI=1S/C16H15N3O2S/c20-12-3-1-2-11(10-12)15-17-13-4-9-22-14(13)16(18-15)19-5-7-21-8-6-19/h1-4,9-10,20H,5-8H2
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n/an/a 2.5n/an/an/an/a7.422



Astellas Pharma Inc.



Assay Description
The test compounds and enzyme were mixed in buffer, and the substrate and [gamma-33P] ATP/ATP were added to the mixture to initiate the reaction. Aft...

Bioorg Med Chem 15: 5837-44 (2007)


Article DOI: 10.1016/j.bmc.2007.05.070
BindingDB Entry DOI: 10.7270/Q2X928M7
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50483736
PNG
(CHEMBL1770888)
Show SMILES CC[C@@H](C)[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cn(cn1)C(C)(C)CN1CCCC1 |r|
Show InChI InChI=1S/C25H35F2N5O2/c1-5-17(2)23(30-22(33)12-18-10-19(26)13-20(27)11-18)24(34)29-21-14-32(16-28-21)25(3,4)15-31-8-6-7-9-31/h10-11,13-14,16-17,23H,5-9,12,15H2,1-4H3,(H,29,34)(H,30,33)/t17-,23+/m1/s1
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n/an/a 2.5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase in human H4 cells expressing APP Swedish mutant assessed as inhibition of amyloid beta (1 to 40) production by whole ce...

Bioorg Med Chem Lett 21: 2631-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.117
BindingDB Entry DOI: 10.7270/Q2K64MX1
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50483754
PNG
(CHEMBL1770759)
Show SMILES CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cn(cn1)C(C)(C)C(=O)OC |r|
Show InChI InChI=1S/C21H26F2N4O4/c1-5-6-16(25-18(28)9-13-7-14(22)10-15(23)8-13)19(29)26-17-11-27(12-24-17)21(2,3)20(30)31-4/h7-8,10-12,16H,5-6,9H2,1-4H3,(H,25,28)(H,26,29)/t16-/m0/s1
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n/an/a 2.70n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase in human HeLa cells assessed as inhibition of amyloid beta (1 to 40) production by DELFIA-based immunoassay

Bioorg Med Chem Lett 21: 2631-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.117
BindingDB Entry DOI: 10.7270/Q2K64MX1
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))		BDBM25050
PNG
(3-{6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl}-1-...)
Show SMILES Cc1nc2ccc(Cl)cn2c1-c1ccn(n1)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O
Show InChI InChI=1S/C18H14ClN5O4S/c1-11-3-5-14(24(25)26)9-16(11)29(27,28)23-8-7-15(21-23)18-12(2)20-17-6-4-13(19)10-22(17)18/h3-10H,1-2H3
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n/an/a 2.80n/an/an/an/a7.422



Astellas Pharma Inc.



Assay Description
The test compounds and enzyme were mixed in buffer, and the substrate and [gamma-33P] ATP/ATP were added to the mixture to initiate the reaction. Aft...

Bioorg Med Chem 15: 403-12 (2007)


Article DOI: 10.1016/j.bmc.2006.09.047
BindingDB Entry DOI: 10.7270/Q2SJ1HXZ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))		BDBM25056
PNG
(4-{6-chloroimidazo[1,2-a]pyridin-3-yl}-2-[(2-methy...)
Show SMILES Cc1ccc(cc1S(=O)(=O)c1nc(cs1)-c1cnc2ccc(Cl)cn12)[N+]([O-])=O
Show InChI InChI=1S/C17H11ClN4O4S2/c1-10-2-4-12(22(23)24)6-15(10)28(25,26)17-20-13(9-27-17)14-7-19-16-5-3-11(18)8-21(14)16/h2-9H,1H3
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n/an/a 2.80n/an/an/an/a7.422



Astellas Pharma Inc.



Assay Description
The test compounds and enzyme were mixed in buffer, and the substrate and [gamma-33P] ATP/ATP were added to the mixture to initiate the reaction. Aft...

Bioorg Med Chem 15: 403-12 (2007)


Article DOI: 10.1016/j.bmc.2006.09.047
BindingDB Entry DOI: 10.7270/Q2SJ1HXZ
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50483770
PNG
(CHEMBL1770911)
Show SMILES CCC[C@H](N[C@H]1CCc2cc(F)cc(F)c2C1)C(=O)Nc1cn(cn1)C(C)(C)CN1CCCC1 |r|
Show InChI InChI=1S/C26H37F2N5O/c1-4-7-23(30-20-9-8-18-12-19(27)13-22(28)21(18)14-20)25(34)31-24-15-33(17-29-24)26(2,3)16-32-10-5-6-11-32/h12-13,15,17,20,23,30H,4-11,14,16H2,1-3H3,(H,31,34)/t20-,23-/m0/s1
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n/an/a 2.90n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase in human H4 cells expressing APP Swedish mutant assessed as inhibition of amyloid beta (1 to 40) production by whole ce...

Bioorg Med Chem Lett 21: 2637-40 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.118
BindingDB Entry DOI: 10.7270/Q2FF3W75
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))		BDBM25045
PNG
(3-(4-morpholin-4-ylpyrido[2,3]furo[2,4-b]pyrimidin...)
Show SMILES Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1
Show InChI InChI=1S/C19H16N4O3/c24-13-4-1-3-12(11-13)17-21-15-14-5-2-6-20-19(14)26-16(15)18(22-17)23-7-9-25-10-8-23/h1-6,11,24H,7-10H2
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n/an/a 3n/an/an/an/a7.422



Astellas Pharma Inc.



Assay Description
The test compounds and enzyme were mixed in buffer, and the substrate and [gamma-33P] ATP/ATP were added to the mixture to initiate the reaction. Aft...

Bioorg Med Chem 15: 5837-44 (2007)


Article DOI: 10.1016/j.bmc.2007.05.070
BindingDB Entry DOI: 10.7270/Q2X928M7
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))		BDBM25045
PNG
(3-(4-morpholin-4-ylpyrido[2,3]furo[2,4-b]pyrimidin...)
Show SMILES Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1
Show InChI InChI=1S/C19H16N4O3/c24-13-4-1-3-12(11-13)17-21-15-14-5-2-6-20-19(14)26-16(15)18(22-17)23-7-9-25-10-8-23/h1-6,11,24H,7-10H2
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n/an/a 3n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of p110beta

Bioorg Med Chem Lett 17: 2438-42 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.032
BindingDB Entry DOI: 10.7270/Q28053F2
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50483753
PNG
(CHEMBL1770897)
Show SMILES CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cn(cn1)C(C)(C)CNCc1ccccc1 |r|
Show InChI InChI=1S/C27H33F2N5O2/c1-4-8-23(32-25(35)13-20-11-21(28)14-22(29)12-20)26(36)33-24-16-34(18-31-24)27(2,3)17-30-15-19-9-6-5-7-10-19/h5-7,9-12,14,16,18,23,30H,4,8,13,15,17H2,1-3H3,(H,32,35)(H,33,36)/t23-/m0/s1
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n/an/a 3.10n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase in human H4 cells expressing APP Swedish mutant assessed as inhibition of amyloid beta (1 to 40) production by whole ce...

Bioorg Med Chem Lett 21: 2631-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.117
BindingDB Entry DOI: 10.7270/Q2K64MX1
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))		BDBM25030
PNG
(3-{6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl}-1-[...)
Show SMILES Cc1nc2ccc(Br)cn2c1-c1ccn(n1)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O
Show InChI InChI=1S/C18H14BrN5O4S/c1-11-3-5-14(24(25)26)9-16(11)29(27,28)23-8-7-15(21-23)18-12(2)20-17-6-4-13(19)10-22(17)18/h3-10H,1-2H3
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n/an/a 3.10n/an/an/an/a7.422



Astellas Pharma Inc.



Assay Description
The test compounds and enzyme were mixed in buffer, and the substrate and [gamma-33P] ATP/ATP were added to the mixture to initiate the reaction. Aft...

Bioorg Med Chem 15: 5837-44 (2007)


Article DOI: 10.1016/j.bmc.2007.05.070
BindingDB Entry DOI: 10.7270/Q2X928M7
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))		BDBM25030
PNG
(3-{6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl}-1-[...)
Show SMILES Cc1nc2ccc(Br)cn2c1-c1ccn(n1)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O
Show InChI InChI=1S/C18H14BrN5O4S/c1-11-3-5-14(24(25)26)9-16(11)29(27,28)23-8-7-15(21-23)18-12(2)20-17-6-4-13(19)10-22(17)18/h3-10H,1-2H3
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n/an/a 3.10n/an/an/an/a7.422



Astellas Pharma Inc.



Assay Description
The test compounds and enzyme were mixed in buffer, and the substrate and [gamma-33P] ATP/ATP were added to the mixture to initiate the reaction. Aft...

Bioorg Med Chem 15: 403-12 (2007)


Article DOI: 10.1016/j.bmc.2006.09.047
BindingDB Entry DOI: 10.7270/Q2SJ1HXZ
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50483775
PNG
(CHEMBL1770912)
Show SMILES CCC[C@H](N[C@H]1CCc2cc(F)cc(F)c2C1)C(=O)Nc1cn(cn1)C(C)(C)CN1CCCCC1 |r|
Show InChI InChI=1S/C27H39F2N5O/c1-4-8-24(31-21-10-9-19-13-20(28)14-23(29)22(19)15-21)26(35)32-25-16-34(18-30-25)27(2,3)17-33-11-6-5-7-12-33/h13-14,16,18,21,24,31H,4-12,15,17H2,1-3H3,(H,32,35)/t21-,24-/m0/s1
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n/an/a 3.30n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase in human H4 cells expressing APP Swedish mutant assessed as inhibition of amyloid beta (1 to 40) production by whole ce...

Bioorg Med Chem Lett 21: 2637-40 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.118
BindingDB Entry DOI: 10.7270/Q2FF3W75
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))		BDBM25045
PNG
(3-(4-morpholin-4-ylpyrido[2,3]furo[2,4-b]pyrimidin...)
Show SMILES Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1
Show InChI InChI=1S/C19H16N4O3/c24-13-4-1-3-12(11-13)17-21-15-14-5-2-6-20-19(14)26-16(15)18(22-17)23-7-9-25-10-8-23/h1-6,11,24H,7-10H2
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n/an/a 3.60n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of p110alpha by SPA assay

Bioorg Med Chem Lett 17: 2438-42 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.032
BindingDB Entry DOI: 10.7270/Q28053F2
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))		BDBM25045
PNG
(3-(4-morpholin-4-ylpyrido[2,3]furo[2,4-b]pyrimidin...)
Show SMILES Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1
Show InChI InChI=1S/C19H16N4O3/c24-13-4-1-3-12(11-13)17-21-15-14-5-2-6-20-19(14)26-16(15)18(22-17)23-7-9-25-10-8-23/h1-6,11,24H,7-10H2
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n/an/a 3.60n/an/an/an/a7.422



Astellas Pharma Inc.



Assay Description
The test compounds and enzyme were mixed in buffer, and the substrate and [gamma-33P] ATP/ATP were added to the mixture to initiate the reaction. Aft...

Bioorg Med Chem 15: 5837-44 (2007)


Article DOI: 10.1016/j.bmc.2007.05.070
BindingDB Entry DOI: 10.7270/Q2X928M7
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Presenilin-1


(Homo sapiens (Human))		BDBM50483747
PNG
(CHEMBL1770883)
Show SMILES CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cn(cn1)C(C)(C)CCO |r|
Show InChI InChI=1S/C21H28F2N4O3/c1-4-5-17(25-19(29)10-14-8-15(22)11-16(23)9-14)20(30)26-18-12-27(13-24-18)21(2,3)6-7-28/h8-9,11-13,17,28H,4-7,10H2,1-3H3,(H,25,29)(H,26,30)/t17-/m0/s1
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n/an/a 3.60n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase in human HeLa cells assessed as inhibition of amyloid beta (1 to 40) production by DELFIA-based immunoassay

Bioorg Med Chem Lett 21: 2631-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.117
BindingDB Entry DOI: 10.7270/Q2K64MX1
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50483752
PNG
(CHEMBL1770159)
Show SMILES CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cn(cn1)C(C)(C)CN(C)C |r|
Show InChI InChI=1S/C22H31F2N5O2/c1-6-7-18(26-20(30)10-15-8-16(23)11-17(24)9-15)21(31)27-19-12-29(14-25-19)22(2,3)13-28(4)5/h8-9,11-12,14,18H,6-7,10,13H2,1-5H3,(H,26,30)(H,27,31)/t18-/m0/s1
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n/an/a 3.80n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase in human HeLa cells assessed as inhibition of amyloid beta (1 to 40) production by DELFIA-based immunoassay

Bioorg Med Chem Lett 21: 2631-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.117
BindingDB Entry DOI: 10.7270/Q2K64MX1
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50483765
PNG
(CHEMBL1770910)
Show SMILES CCC[C@H](NC1CCc2cc(F)cc(F)c2C1)C(=O)Nc1cn(cn1)C(C)(C)CN1CCCC1 |r|
Show InChI InChI=1S/C26H37F2N5O/c1-4-7-23(30-20-9-8-18-12-19(27)13-22(28)21(18)14-20)25(34)31-24-15-33(17-29-24)26(2,3)16-32-10-5-6-11-32/h12-13,15,17,20,23,30H,4-11,14,16H2,1-3H3,(H,31,34)/t20?,23-/m0/s1
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n/an/a 4.10n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase in human HeLa cells assessed as inhibition of amyloid beta (1 to 40) production by DELFIA-based immunoassay

Bioorg Med Chem Lett 21: 2637-40 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.118
BindingDB Entry DOI: 10.7270/Q2FF3W75
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50483750
PNG
(CHEMBL1770887)
Show SMILES CC(C)C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cn(cn1)C(C)(C)CN1CCCC1 |r|
Show InChI InChI=1S/C25H35F2N5O2/c1-17(2)9-21(29-23(33)12-18-10-19(26)13-20(27)11-18)24(34)30-22-14-32(16-28-22)25(3,4)15-31-7-5-6-8-31/h10-11,13-14,16-17,21H,5-9,12,15H2,1-4H3,(H,29,33)(H,30,34)/t21-/m0/s1
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n/an/a 4.30n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase in human H4 cells expressing APP Swedish mutant assessed as inhibition of amyloid beta (1 to 40) production by whole ce...

Bioorg Med Chem Lett 21: 2631-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.117
BindingDB Entry DOI: 10.7270/Q2K64MX1
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50483771
PNG
(CHEMBL1770914)
Show SMILES CCC[C@H](N[C@H]1CCc2cc(F)cc(F)c2C1)C(=O)Nc1cn(cn1)C(C)(C)CN(C)C |r|
Show InChI InChI=1S/C24H35F2N5O/c1-6-7-21(28-18-9-8-16-10-17(25)11-20(26)19(16)12-18)23(32)29-22-13-31(15-27-22)24(2,3)14-30(4)5/h10-11,13,15,18,21,28H,6-9,12,14H2,1-5H3,(H,29,32)/t18-,21-/m0/s1
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n/an/a 4.60n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase in human H4 cells expressing APP Swedish mutant assessed as inhibition of amyloid beta (1 to 40) production by whole ce...

Bioorg Med Chem Lett 21: 2637-40 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.118
BindingDB Entry DOI: 10.7270/Q2FF3W75
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50483752
PNG
(CHEMBL1770159)
Show SMILES CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cn(cn1)C(C)(C)CN(C)C |r|
Show InChI InChI=1S/C22H31F2N5O2/c1-6-7-18(26-20(30)10-15-8-16(23)11-17(24)9-15)21(31)27-19-12-29(14-25-19)22(2,3)13-28(4)5/h8-9,11-12,14,18H,6-7,10,13H2,1-5H3,(H,26,30)(H,27,31)/t18-/m0/s1
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n/an/a 4.80n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase in human H4 cells expressing APP Swedish mutant assessed as inhibition of amyloid beta (1 to 40) production by whole ce...

Bioorg Med Chem Lett 21: 2631-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.117
BindingDB Entry DOI: 10.7270/Q2K64MX1
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50483773
PNG
(CHEMBL1770917)
Show SMILES CCC[C@H](N[C@H]1CCc2cc(F)cc(F)c2C1)C(=O)Nc1cn(cn1)C(C)(C)CNCC(F)(F)F |r|
Show InChI InChI=1S/C24H32F5N5O/c1-4-5-20(32-17-7-6-15-8-16(25)9-19(26)18(15)10-17)22(35)33-21-11-34(14-31-21)23(2,3)12-30-13-24(27,28)29/h8-9,11,14,17,20,30,32H,4-7,10,12-13H2,1-3H3,(H,33,35)/t17-,20-/m0/s1
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n/an/a 4.90n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase in human H4 cells expressing APP Swedish mutant assessed as inhibition of amyloid beta (1 to 40) production by whole ce...

Bioorg Med Chem Lett 21: 2637-40 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.118
BindingDB Entry DOI: 10.7270/Q2FF3W75
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50483754
PNG
(CHEMBL1770759)
Show SMILES CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cn(cn1)C(C)(C)C(=O)OC |r|
Show InChI InChI=1S/C21H26F2N4O4/c1-5-6-16(25-18(28)9-13-7-14(22)10-15(23)8-13)19(29)26-17-11-27(12-24-17)21(2,3)20(30)31-4/h7-8,10-12,16H,5-6,9H2,1-4H3,(H,25,28)(H,26,29)/t16-/m0/s1
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n/an/a 5.10n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase in human H4 cells expressing APP Swedish mutant assessed as inhibition of amyloid beta (1 to 40) production by whole ce...

Bioorg Med Chem Lett 21: 2631-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.117
BindingDB Entry DOI: 10.7270/Q2K64MX1
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))		BDBM25038
PNG
(N'-[(1E)-{6-fluoroimidazo[1,2-a]pyridin-3-yl}methy...)
Show SMILES CN(\N=C\c1cnc2ccc(F)cn12)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O
Show InChI InChI=1S/C16H14FN5O4S/c1-11-3-5-13(22(23)24)7-15(11)27(25,26)20(2)19-9-14-8-18-16-6-4-12(17)10-21(14)16/h3-10H,1-2H3/b19-9+
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n/an/a 5.30n/an/an/an/a7.422



Astellas Pharma Inc.



Assay Description
The test compounds and enzyme were mixed in buffer, and the substrate and [gamma-33P] ATP/ATP were added to the mixture to initiate the reaction. Aft...

Bioorg Med Chem 15: 5837-44 (2007)


Article DOI: 10.1016/j.bmc.2007.05.070
BindingDB Entry DOI: 10.7270/Q2X928M7
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50483765
PNG
(CHEMBL1770910)
Show SMILES CCC[C@H](NC1CCc2cc(F)cc(F)c2C1)C(=O)Nc1cn(cn1)C(C)(C)CN1CCCC1 |r|
Show InChI InChI=1S/C26H37F2N5O/c1-4-7-23(30-20-9-8-18-12-19(27)13-22(28)21(18)14-20)25(34)31-24-15-33(17-29-24)26(2,3)16-32-10-5-6-11-32/h12-13,15,17,20,23,30H,4-11,14,16H2,1-3H3,(H,31,34)/t20?,23-/m0/s1
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n/an/a 5.40n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase in human H4 cells expressing APP Swedish mutant assessed as inhibition of amyloid beta (1 to 40) production by whole ce...

Bioorg Med Chem Lett 21: 2637-40 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.118
BindingDB Entry DOI: 10.7270/Q2FF3W75
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))		BDBM25040
PNG
(N,2-dimethyl-N'-[(1E)-{6-methylimidazo[1,2-a]pyrid...)
Show SMILES CN(\N=C\c1cnc2ccc(C)cn12)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O
Show InChI InChI=1S/C17H17N5O4S/c1-12-4-7-17-18-9-15(21(17)11-12)10-19-20(3)27(25,26)16-8-14(22(23)24)6-5-13(16)2/h4-11H,1-3H3/b19-10+
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n/an/a 6n/an/an/an/a7.422



Astellas Pharma Inc.



Assay Description
The test compounds and enzyme were mixed in buffer, and the substrate and [gamma-33P] ATP/ATP were added to the mixture to initiate the reaction. Aft...

Bioorg Med Chem 15: 5837-44 (2007)


Article DOI: 10.1016/j.bmc.2007.05.070
BindingDB Entry DOI: 10.7270/Q2X928M7
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50483772
PNG
(CHEMBL1770915)
Show SMILES CCC[C@H](N[C@H]1CCc2cc(F)cc(F)c2C1)C(=O)Nc1cn(cn1)C(C)(C)CN1CCOCC1 |r|
Show InChI InChI=1S/C26H37F2N5O2/c1-4-5-23(30-20-7-6-18-12-19(27)13-22(28)21(18)14-20)25(34)31-24-15-33(17-29-24)26(2,3)16-32-8-10-35-11-9-32/h12-13,15,17,20,23,30H,4-11,14,16H2,1-3H3,(H,31,34)/t20-,23-/m0/s1
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n/an/a 6.90n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase in human H4 cells expressing APP Swedish mutant assessed as inhibition of amyloid beta (1 to 40) production by whole ce...

Bioorg Med Chem Lett 21: 2637-40 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.118
BindingDB Entry DOI: 10.7270/Q2FF3W75
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50483750
PNG
(CHEMBL1770887)
Show SMILES CC(C)C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cn(cn1)C(C)(C)CN1CCCC1 |r|
Show InChI InChI=1S/C25H35F2N5O2/c1-17(2)9-21(29-23(33)12-18-10-19(26)13-20(27)11-18)24(34)30-22-14-32(16-28-22)25(3,4)15-31-7-5-6-8-31/h10-11,13-14,16-17,21H,5-9,12,15H2,1-4H3,(H,29,33)(H,30,34)/t21-/m0/s1
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n/an/a 7n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase in human HeLa cells assessed as inhibition of amyloid beta (1 to 40) production by DELFIA-based immunoassay

Bioorg Med Chem Lett 21: 2631-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.117
BindingDB Entry DOI: 10.7270/Q2K64MX1
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50483749
PNG
(CHEMBL1770886)
Show SMILES C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cn(cn1)C(C)(C)CN1CCCC1 |r|
Show InChI InChI=1S/C22H29F2N5O2/c1-15(26-20(30)10-16-8-17(23)11-18(24)9-16)21(31)27-19-12-29(14-25-19)22(2,3)13-28-6-4-5-7-28/h8-9,11-12,14-15H,4-7,10,13H2,1-3H3,(H,26,30)(H,27,31)/t15-/m0/s1
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n/an/a 7.80n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase in human H4 cells expressing APP Swedish mutant assessed as inhibition of amyloid beta (1 to 40) production by whole ce...

Bioorg Med Chem Lett 21: 2631-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.117
BindingDB Entry DOI: 10.7270/Q2K64MX1
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50483740
PNG
(CHEMBL1770895)
Show SMILES CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cn(cn1)C(C)(C)CNC(C)C |r|
Show InChI InChI=1S/C23H33F2N5O2/c1-6-7-19(28-21(31)10-16-8-17(24)11-18(25)9-16)22(32)29-20-12-30(14-27-20)23(4,5)13-26-15(2)3/h8-9,11-12,14-15,19,26H,6-7,10,13H2,1-5H3,(H,28,31)(H,29,32)/t19-/m0/s1
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n/an/a 7.90n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase in human H4 cells expressing APP Swedish mutant assessed as inhibition of amyloid beta (1 to 40) production by whole ce...

Bioorg Med Chem Lett 21: 2631-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.117
BindingDB Entry DOI: 10.7270/Q2K64MX1
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50483738
PNG
(CHEMBL1770891)
Show SMILES COC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cn(cn1)C(C)(C)CN1CCCC1 |r|
Show InChI InChI=1S/C23H31F2N5O3/c1-23(2,14-29-6-4-5-7-29)30-12-20(26-15-30)28-22(32)19(13-33-3)27-21(31)10-16-8-17(24)11-18(25)9-16/h8-9,11-12,15,19H,4-7,10,13-14H2,1-3H3,(H,27,31)(H,28,32)/t19-/m0/s1
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n/an/a 8.20n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase in human H4 cells expressing APP Swedish mutant assessed as inhibition of amyloid beta (1 to 40) production by whole ce...

Bioorg Med Chem Lett 21: 2631-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.117
BindingDB Entry DOI: 10.7270/Q2K64MX1
More data for this
Ligand-Target Pair
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