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PubMed code 23265894

Compile data set for download or QSAR
Found 40 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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50426806
PNG
(CHEMBL2322780)
Show SMILES NC(=O)c1ccc2-c3sc(cc3CCOc2c1)-c1n[nH]cc1-c1ccccc1Cl
Show InChI InChI=1S/C22H16ClN3O2S/c23-17-4-2-1-3-14(17)16-11-25-26-20(16)19-10-12-7-8-28-18-9-13(22(24)27)5-6-15(18)21(12)29-19/h1-6,9-11H,7-8H2,(H2,24,27)(H,25,26)
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n/an/a 1n/an/an/an/an/an/a



Genentech, Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3Kalpha (unknown origin)-mediated 3,4,5-inositoltriphosphate formation after 30 mins by TAMRA-PIP3-based competitive fluo...


Bioorg Med Chem Lett 23: 897-901 (2013)


Article DOI: 10.1016/j.bmcl.2012.10.121
BindingDB Entry DOI: 10.7270/Q21C1Z5X
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50426805
PNG
(CHEMBL2322777)
Show SMILES Fc1ccc(c(F)c1)-n1ncnc1-c1cc2CCOc3ccccc3-c2s1
Show InChI InChI=1S/C20H13F2N3OS/c21-13-5-6-16(15(22)10-13)25-20(23-11-24-25)18-9-12-7-8-26-17-4-2-1-3-14(17)19(12)27-18/h1-6,9-11H,7-8H2
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n/an/a 1.20n/an/an/an/an/an/a



Genentech, Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3Kalpha (unknown origin)-mediated 3,4,5-inositoltriphosphate formation after 30 mins by TAMRA-PIP3-based competitive fluo...


Bioorg Med Chem Lett 23: 897-901 (2013)


Article DOI: 10.1016/j.bmcl.2012.10.121
BindingDB Entry DOI: 10.7270/Q21C1Z5X
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50426804
PNG
(CHEMBL2322502)
Show SMILES Clc1ccccc1-n1c(n[nH]c1=O)-c1cc2CCOc3ccccc3-c2s1 |(28.43,-36.51,;27.72,-35.15,;26.18,-35.08,;25.47,-33.71,;26.3,-32.41,;27.84,-32.48,;28.54,-33.85,;30.08,-33.92,;31.14,-32.81,;32.52,-33.45,;32.33,-34.98,;30.82,-35.27,;30.04,-36.59,;30.85,-31.29,;31.88,-30.19,;31.16,-28.86,;31.94,-27.42,;31.31,-25.97,;29.76,-25.57,;28.48,-26.58,;27.14,-25.81,;25.81,-26.58,;25.81,-28.13,;27.14,-28.9,;28.49,-28.13,;29.67,-29.15,;29.48,-30.65,)|
Show InChI InChI=1S/C20H14ClN3O2S/c21-14-6-2-3-7-15(14)24-19(22-23-20(24)25)17-11-12-9-10-26-16-8-4-1-5-13(16)18(12)27-17/h1-8,11H,9-10H2,(H,23,25)
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n/an/a 1.20n/an/an/an/an/an/a



Genentech, Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3Kalpha (unknown origin)-mediated 3,4,5-inositoltriphosphate formation after 30 mins by TAMRA-PIP3-based competitive fluo...


Bioorg Med Chem Lett 23: 897-901 (2013)


Article DOI: 10.1016/j.bmcl.2012.10.121
BindingDB Entry DOI: 10.7270/Q21C1Z5X
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50347089
PNG
(CHEMBL1796275)
Show SMILES CN(C(=O)c1cc2CCOc3cc(ccc3-c2s1)C(N)=O)c1ccccc1Cl
Show InChI InChI=1S/C21H17ClN2O3S/c1-24(16-5-3-2-4-15(16)22)21(26)18-11-12-8-9-27-17-10-13(20(23)25)6-7-14(17)19(12)28-18/h2-7,10-11H,8-9H2,1H3,(H2,23,25)
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n/an/a 1.5n/an/an/an/an/an/a



Genentech, Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3Kalpha (unknown origin)-mediated 3,4,5-inositoltriphosphate formation after 30 mins by TAMRA-PIP3-based competitive fluo...


Bioorg Med Chem Lett 23: 897-901 (2013)


Article DOI: 10.1016/j.bmcl.2012.10.121
BindingDB Entry DOI: 10.7270/Q21C1Z5X
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50426797
PNG
(CHEMBL2322764)
Show SMILES CC(C)n1ncnc1-c1cc2CCOc3cc(ccc3-c2s1)C(N)=O
Show InChI InChI=1S/C18H18N4O2S/c1-10(2)22-18(20-9-21-22)15-8-11-5-6-24-14-7-12(17(19)23)3-4-13(14)16(11)25-15/h3-4,7-10H,5-6H2,1-2H3,(H2,19,23)
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n/an/a 4n/an/an/an/an/an/a



Genentech, Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3Kalpha (unknown origin)-mediated 3,4,5-inositoltriphosphate formation after 30 mins by TAMRA-PIP3-based competitive fluo...


Bioorg Med Chem Lett 23: 897-901 (2013)


Article DOI: 10.1016/j.bmcl.2012.10.121
BindingDB Entry DOI: 10.7270/Q21C1Z5X
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50426795
PNG
(CHEMBL2322769)
Show SMILES CC(C)(O)Cn1ncnc1-c1cc2CCOc3cc(ccc3-c2s1)C(N)=O
Show InChI InChI=1S/C19H20N4O3S/c1-19(2,25)9-23-18(21-10-22-23)15-8-11-5-6-26-14-7-12(17(20)24)3-4-13(14)16(11)27-15/h3-4,7-8,10,25H,5-6,9H2,1-2H3,(H2,20,24)
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n/an/a 4n/an/an/an/an/an/a



Genentech, Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3Kalpha (unknown origin)-mediated 3,4,5-inositoltriphosphate formation after 30 mins by TAMRA-PIP3-based competitive fluo...


Bioorg Med Chem Lett 23: 897-901 (2013)


Article DOI: 10.1016/j.bmcl.2012.10.121
BindingDB Entry DOI: 10.7270/Q21C1Z5X
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50426796
PNG
(CHEMBL2322765)
Show SMILES CC(C)Cn1ncnc1-c1cc2CCOc3cc(ccc3-c2s1)C(N)=O
Show InChI InChI=1S/C19H20N4O2S/c1-11(2)9-23-19(21-10-22-23)16-8-12-5-6-25-15-7-13(18(20)24)3-4-14(15)17(12)26-16/h3-4,7-8,10-11H,5-6,9H2,1-2H3,(H2,20,24)
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n/an/a 4n/an/an/an/an/an/a



Genentech, Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3Kalpha (unknown origin)-mediated 3,4,5-inositoltriphosphate formation after 30 mins by TAMRA-PIP3-based competitive fluo...


Bioorg Med Chem Lett 23: 897-901 (2013)


Article DOI: 10.1016/j.bmcl.2012.10.121
BindingDB Entry DOI: 10.7270/Q21C1Z5X
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50426803
PNG
(CHEMBL2322772)
Show SMILES CN(C(=O)c1cc2CCOc3cccnc3-c2s1)c1ccccc1Cl
Show InChI InChI=1S/C19H15ClN2O2S/c1-22(14-6-3-2-5-13(14)20)19(23)16-11-12-8-10-24-15-7-4-9-21-17(15)18(12)25-16/h2-7,9,11H,8,10H2,1H3
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n/an/a 7n/an/an/an/an/an/a



Genentech, Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3Kalpha (unknown origin)-mediated 3,4,5-inositoltriphosphate formation after 30 mins by TAMRA-PIP3-based competitive fluo...


Bioorg Med Chem Lett 23: 897-901 (2013)


Article DOI: 10.1016/j.bmcl.2012.10.121
BindingDB Entry DOI: 10.7270/Q21C1Z5X
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50426794
PNG
(CHEMBL2322770)
Show SMILES NC(=O)c1ccc2-c3sc(cc3CCOc2c1)-c1ncnn1CC(F)(F)F
Show InChI InChI=1S/C17H13F3N4O2S/c18-17(19,20)7-24-16(22-8-23-24)13-6-9-3-4-26-12-5-10(15(21)25)1-2-11(12)14(9)27-13/h1-2,5-6,8H,3-4,7H2,(H2,21,25)
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n/an/a 7n/an/an/an/an/an/a



Genentech, Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3Kalpha (unknown origin)-mediated 3,4,5-inositoltriphosphate formation after 30 mins by TAMRA-PIP3-based competitive fluo...


Bioorg Med Chem Lett 23: 897-901 (2013)


Article DOI: 10.1016/j.bmcl.2012.10.121
BindingDB Entry DOI: 10.7270/Q21C1Z5X
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50426802
PNG
(CHEMBL2322773)
Show SMILES Clc1ccccc1-n1cnnc1-c1cc2CCOc3ccccc3-c2s1
Show InChI InChI=1S/C20H14ClN3OS/c21-15-6-2-3-7-16(15)24-12-22-23-20(24)18-11-13-9-10-25-17-8-4-1-5-14(17)19(13)26-18/h1-8,11-12H,9-10H2
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n/an/a 7.30n/an/an/an/an/an/a



Genentech, Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3Kalpha (unknown origin)-mediated 3,4,5-inositoltriphosphate formation after 30 mins by TAMRA-PIP3-based competitive fluo...


Bioorg Med Chem Lett 23: 897-901 (2013)


Article DOI: 10.1016/j.bmcl.2012.10.121
BindingDB Entry DOI: 10.7270/Q21C1Z5X
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50426793
PNG
(CHEMBL2322766)
Show SMILES NC(=O)c1ccc2-c3sc(cc3CCOc2c1)-c1ncnn1C1CCC1
Show InChI InChI=1S/C19H18N4O2S/c20-18(24)12-4-5-14-15(8-12)25-7-6-11-9-16(26-17(11)14)19-21-10-22-23(19)13-2-1-3-13/h4-5,8-10,13H,1-3,6-7H2,(H2,20,24)
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n/an/a 8n/an/an/an/an/an/a



Genentech, Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3Kalpha (unknown origin)-mediated 3,4,5-inositoltriphosphate formation after 30 mins by TAMRA-PIP3-based competitive fluo...


Bioorg Med Chem Lett 23: 897-901 (2013)


Article DOI: 10.1016/j.bmcl.2012.10.121
BindingDB Entry DOI: 10.7270/Q21C1Z5X
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50426801
PNG
(CHEMBL2322776)
Show SMILES Clc1ccccc1-c1ocnc1-c1cc2CCOc3cccnc3-c2s1
Show InChI InChI=1S/C20H13ClN2O2S/c21-14-5-2-1-4-13(14)19-18(23-11-25-19)16-10-12-7-9-24-15-6-3-8-22-17(15)20(12)26-16/h1-6,8,10-11H,7,9H2
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n/an/a 12n/an/an/an/an/an/a



Genentech, Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3Kalpha (unknown origin)-mediated 3,4,5-inositoltriphosphate formation after 30 mins by TAMRA-PIP3-based competitive fluo...


Bioorg Med Chem Lett 23: 897-901 (2013)


Article DOI: 10.1016/j.bmcl.2012.10.121
BindingDB Entry DOI: 10.7270/Q21C1Z5X
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50426800
PNG
(CHEMBL2322767)
Show SMILES NC(=O)c1ccc2-c3sc(cc3CCOc2c1)-c1ncnn1CCO
Show InChI InChI=1S/C17H16N4O3S/c18-16(23)11-1-2-12-13(7-11)24-6-3-10-8-14(25-15(10)12)17-19-9-20-21(17)4-5-22/h1-2,7-9,22H,3-6H2,(H2,18,23)
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n/an/a 15n/an/an/an/an/an/a



Genentech, Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3Kalpha (unknown origin)-mediated 3,4,5-inositoltriphosphate formation after 30 mins by TAMRA-PIP3-based competitive fluo...


Bioorg Med Chem Lett 23: 897-901 (2013)


Article DOI: 10.1016/j.bmcl.2012.10.121
BindingDB Entry DOI: 10.7270/Q21C1Z5X
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50347085
PNG
(CHEMBL1796271)
Show SMILES CN(C(=O)c1cc2CCOc3ccccc3-c2s1)c1ccccc1Cl
Show InChI InChI=1S/C20H16ClNO2S/c1-22(16-8-4-3-7-15(16)21)20(23)18-12-13-10-11-24-17-9-5-2-6-14(17)19(13)25-18/h2-9,12H,10-11H2,1H3
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n/an/a 16n/an/an/an/an/an/a



Genentech, Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3Kalpha (unknown origin)-mediated 3,4,5-inositoltriphosphate formation after 30 mins by TAMRA-PIP3-based competitive fluo...


Bioorg Med Chem Lett 23: 897-901 (2013)


Article DOI: 10.1016/j.bmcl.2012.10.121
BindingDB Entry DOI: 10.7270/Q21C1Z5X
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50426813
PNG
(CHEMBL2322778)
Show SMILES NC(=O)c1ccc2-c3sc(cc3CCOc2c1)-c1ncnn1-c1ccc(F)cc1F
Show InChI InChI=1S/C21H14F2N4O2S/c22-13-2-4-16(15(23)9-13)27-21(25-10-26-27)18-8-11-5-6-29-17-7-12(20(24)28)1-3-14(17)19(11)30-18/h1-4,7-10H,5-6H2,(H2,24,28)
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n/an/a 17n/an/an/an/an/an/a



Genentech, Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha-mediated AKT Ser 473 phosphorylation in human PC3 cells


Bioorg Med Chem Lett 23: 897-901 (2013)


Article DOI: 10.1016/j.bmcl.2012.10.121
BindingDB Entry DOI: 10.7270/Q21C1Z5X
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50426804
PNG
(CHEMBL2322502)
Show SMILES Clc1ccccc1-n1c(n[nH]c1=O)-c1cc2CCOc3ccccc3-c2s1 |(28.43,-36.51,;27.72,-35.15,;26.18,-35.08,;25.47,-33.71,;26.3,-32.41,;27.84,-32.48,;28.54,-33.85,;30.08,-33.92,;31.14,-32.81,;32.52,-33.45,;32.33,-34.98,;30.82,-35.27,;30.04,-36.59,;30.85,-31.29,;31.88,-30.19,;31.16,-28.86,;31.94,-27.42,;31.31,-25.97,;29.76,-25.57,;28.48,-26.58,;27.14,-25.81,;25.81,-26.58,;25.81,-28.13,;27.14,-28.9,;28.49,-28.13,;29.67,-29.15,;29.48,-30.65,)|
Show InChI InChI=1S/C20H14ClN3O2S/c21-14-6-2-3-7-15(14)24-19(22-23-20(24)25)17-11-12-9-10-26-16-8-4-1-5-13(16)18(12)27-17/h1-8,11H,9-10H2,(H,23,25)
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n/an/a 20n/an/an/an/an/an/a



Genentech, Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha-mediated AKT Ser 473 phosphorylation in human PC3 cells


Bioorg Med Chem Lett 23: 897-901 (2013)


Article DOI: 10.1016/j.bmcl.2012.10.121
BindingDB Entry DOI: 10.7270/Q21C1Z5X
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50426812
PNG
(CHEMBL2322763)
Show SMILES NC(=O)c1ccc2-c3sc(cc3CCOc2c1)-c1n[nH]c(=O)n1-c1ccccc1Cl |(29.44,-23.44,;30.77,-22.67,;30.77,-21.13,;32.1,-23.43,;32.1,-24.98,;33.44,-25.75,;34.78,-24.98,;35.96,-26,;35.77,-27.5,;37.14,-28.14,;38.18,-27.04,;37.45,-25.71,;38.23,-24.27,;37.6,-22.82,;36.06,-22.42,;34.77,-23.43,;33.43,-22.66,;37.43,-29.66,;38.81,-30.3,;38.63,-31.83,;37.11,-32.12,;36.33,-33.45,;36.37,-30.77,;34.83,-30.7,;34.13,-29.33,;32.59,-29.26,;31.76,-30.56,;32.47,-31.93,;34.01,-32,;34.72,-33.36,)|
Show InChI InChI=1S/C21H15ClN4O3S/c22-14-3-1-2-4-15(14)26-20(24-25-21(26)28)17-10-11-7-8-29-16-9-12(19(23)27)5-6-13(16)18(11)30-17/h1-6,9-10H,7-8H2,(H2,23,27)(H,25,28)
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n/an/a 20n/an/an/an/an/an/a



Genentech, Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha-mediated AKT Ser 473 phosphorylation in human PC3 cells


Bioorg Med Chem Lett 23: 897-901 (2013)


Article DOI: 10.1016/j.bmcl.2012.10.121
BindingDB Entry DOI: 10.7270/Q21C1Z5X
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50426811
PNG
(CHEMBL2322500)
Show SMILES Nc1nc(-c2cc3CCOc4ccccc4-c3s2)c(s1)-c1ccccc1Cl
Show InChI InChI=1S/C21H15ClN2OS2/c22-15-7-3-1-5-13(15)20-18(24-21(23)27-20)17-11-12-9-10-25-16-8-4-2-6-14(16)19(12)26-17/h1-8,11H,9-10H2,(H2,23,24)
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n/an/a 23n/an/an/an/an/an/a



Genentech, Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha-mediated AKT Ser 473 phosphorylation in human PC3 cells


Bioorg Med Chem Lett 23: 897-901 (2013)


Article DOI: 10.1016/j.bmcl.2012.10.121
BindingDB Entry DOI: 10.7270/Q21C1Z5X
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50426806
PNG
(CHEMBL2322780)
Show SMILES NC(=O)c1ccc2-c3sc(cc3CCOc2c1)-c1n[nH]cc1-c1ccccc1Cl
Show InChI InChI=1S/C22H16ClN3O2S/c23-17-4-2-1-3-14(17)16-11-25-26-20(16)19-10-12-7-8-28-18-9-13(22(24)27)5-6-15(18)21(12)29-19/h1-6,9-11H,7-8H2,(H2,24,27)(H,25,26)
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n/an/a 28n/an/an/an/an/an/a



Genentech, Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha-mediated AKT Ser 473 phosphorylation in human PC3 cells


Bioorg Med Chem Lett 23: 897-901 (2013)


Article DOI: 10.1016/j.bmcl.2012.10.121
BindingDB Entry DOI: 10.7270/Q21C1Z5X
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50426810
PNG
(CHEMBL2322501)
Show SMILES CC(=O)Nc1nc(c([nH]1)-c1cc2CCOc3cccnc3-c2s1)-c1ccccc1Cl
Show InChI InChI=1S/C22H17ClN4O2S/c1-12(28)25-22-26-18(14-5-2-3-6-15(14)23)20(27-22)17-11-13-8-10-29-16-7-4-9-24-19(16)21(13)30-17/h2-7,9,11H,8,10H2,1H3,(H2,25,26,27,28)
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n/an/a 36n/an/an/an/an/an/a



Genentech, Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha-mediated AKT Ser 473 phosphorylation in human PC3 cells


Bioorg Med Chem Lett 23: 897-901 (2013)


Article DOI: 10.1016/j.bmcl.2012.10.121
BindingDB Entry DOI: 10.7270/Q21C1Z5X
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50426809
PNG
(CHEMBL2322775)
Show SMILES NC(=O)c1ccc2-c3sc(cc3CCOc2c1)-c1nnnn1-c1ccccc1Cl
Show InChI InChI=1S/C20H14ClN5O2S/c21-14-3-1-2-4-15(14)26-20(23-24-25-26)17-10-11-7-8-28-16-9-12(19(22)27)5-6-13(16)18(11)29-17/h1-6,9-10H,7-8H2,(H2,22,27)
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n/an/a 42n/an/an/an/an/an/a



Genentech, Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha-mediated AKT Ser 473 phosphorylation in human PC3 cells


Bioorg Med Chem Lett 23: 897-901 (2013)


Article DOI: 10.1016/j.bmcl.2012.10.121
BindingDB Entry DOI: 10.7270/Q21C1Z5X
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50426799
PNG
(CHEMBL2322771)
Show SMILES CN(C(=O)c1cc2CCOc3ccccc3-c2s1)c1ccc(F)cc1F
Show InChI InChI=1S/C20H15F2NO2S/c1-23(16-7-6-13(21)11-15(16)22)20(24)18-10-12-8-9-25-17-5-3-2-4-14(17)19(12)26-18/h2-7,10-11H,8-9H2,1H3
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n/an/a 52n/an/an/an/an/an/a



Genentech, Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3Kalpha (unknown origin)-mediated 3,4,5-inositoltriphosphate formation after 30 mins by TAMRA-PIP3-based competitive fluo...


Bioorg Med Chem Lett 23: 897-901 (2013)


Article DOI: 10.1016/j.bmcl.2012.10.121
BindingDB Entry DOI: 10.7270/Q21C1Z5X
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50426808
PNG
(CHEMBL2322774)
Show SMILES NC(=O)c1ccc2-c3sc(cc3CCOc2c1)-c1nncn1-c1ccccc1Cl
Show InChI InChI=1S/C21H15ClN4O2S/c22-15-3-1-2-4-16(15)26-11-24-25-21(26)18-10-12-7-8-28-17-9-13(20(23)27)5-6-14(17)19(12)29-18/h1-6,9-11H,7-8H2,(H2,23,27)
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n/an/a 60n/an/an/an/an/an/a



Genentech, Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha-mediated AKT Ser 473 phosphorylation in human PC3 cells


Bioorg Med Chem Lett 23: 897-901 (2013)


Article DOI: 10.1016/j.bmcl.2012.10.121
BindingDB Entry DOI: 10.7270/Q21C1Z5X
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50426802
PNG
(CHEMBL2322773)
Show SMILES Clc1ccccc1-n1cnnc1-c1cc2CCOc3ccccc3-c2s1
Show InChI InChI=1S/C20H14ClN3OS/c21-15-6-2-3-7-16(15)24-12-22-23-20(24)18-11-13-9-10-25-17-8-4-1-5-14(17)19(13)26-18/h1-8,11-12H,9-10H2
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n/an/a 74n/an/an/an/an/an/a



Genentech, Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha-mediated AKT Ser 473 phosphorylation in human PC3 cells


Bioorg Med Chem Lett 23: 897-901 (2013)


Article DOI: 10.1016/j.bmcl.2012.10.121
BindingDB Entry DOI: 10.7270/Q21C1Z5X
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50347089
PNG
(CHEMBL1796275)
Show SMILES CN(C(=O)c1cc2CCOc3cc(ccc3-c2s1)C(N)=O)c1ccccc1Cl
Show InChI InChI=1S/C21H17ClN2O3S/c1-24(16-5-3-2-4-15(16)22)21(26)18-11-12-8-9-27-17-10-13(20(23)25)6-7-14(17)19(12)28-18/h2-7,10-11H,8-9H2,1H3,(H2,23,25)
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n/an/a 100n/an/an/an/an/an/a



Genentech, Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha-mediated AKT Ser 473 phosphorylation in human PC3 cells


Bioorg Med Chem Lett 23: 897-901 (2013)


Article DOI: 10.1016/j.bmcl.2012.10.121
BindingDB Entry DOI: 10.7270/Q21C1Z5X
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50426805
PNG
(CHEMBL2322777)
Show SMILES Fc1ccc(c(F)c1)-n1ncnc1-c1cc2CCOc3ccccc3-c2s1
Show InChI InChI=1S/C20H13F2N3OS/c21-13-5-6-16(15(22)10-13)25-20(23-11-24-25)18-9-12-7-8-26-17-4-2-1-3-14(17)19(12)27-18/h1-6,9-11H,7-8H2
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n/an/a 110n/an/an/an/an/an/a



Genentech, Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha-mediated AKT Ser 473 phosphorylation in human PC3 cells


Bioorg Med Chem Lett 23: 897-901 (2013)


Article DOI: 10.1016/j.bmcl.2012.10.121
BindingDB Entry DOI: 10.7270/Q21C1Z5X
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50426798
PNG
(CHEMBL2322768)
Show SMILES CN(C)CCn1ncnc1-c1cc2CCOc3cc(ccc3-c2s1)C(N)=O
Show InChI InChI=1S/C19H21N5O2S/c1-23(2)6-7-24-19(21-11-22-24)16-10-12-5-8-26-15-9-13(18(20)25)3-4-14(15)17(12)27-16/h3-4,9-11H,5-8H2,1-2H3,(H2,20,25)
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n/an/a 142n/an/an/an/an/an/a



Genentech, Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3Kalpha (unknown origin)-mediated 3,4,5-inositoltriphosphate formation after 30 mins by TAMRA-PIP3-based competitive fluo...


Bioorg Med Chem Lett 23: 897-901 (2013)


Article DOI: 10.1016/j.bmcl.2012.10.121
BindingDB Entry DOI: 10.7270/Q21C1Z5X
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50426797
PNG
(CHEMBL2322764)
Show SMILES CC(C)n1ncnc1-c1cc2CCOc3cc(ccc3-c2s1)C(N)=O
Show InChI InChI=1S/C18H18N4O2S/c1-10(2)22-18(20-9-21-22)15-8-11-5-6-24-14-7-12(17(19)23)3-4-13(14)16(11)25-15/h3-4,7-10H,5-6H2,1-2H3,(H2,19,23)
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n/an/a 155n/an/an/an/an/an/a



Genentech, Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha-mediated AKT Ser 473 phosphorylation in human PC3 cells


Bioorg Med Chem Lett 23: 897-901 (2013)


Article DOI: 10.1016/j.bmcl.2012.10.121
BindingDB Entry DOI: 10.7270/Q21C1Z5X
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50426801
PNG
(CHEMBL2322776)
Show SMILES Clc1ccccc1-c1ocnc1-c1cc2CCOc3cccnc3-c2s1
Show InChI InChI=1S/C20H13ClN2O2S/c21-14-5-2-1-4-13(14)19-18(23-11-25-19)16-10-12-7-9-24-15-6-3-8-22-17(15)20(12)26-16/h1-6,8,10-11H,7,9H2
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n/an/a 250n/an/an/an/an/an/a



Genentech, Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha-mediated AKT Ser 473 phosphorylation in human PC3 cells


Bioorg Med Chem Lett 23: 897-901 (2013)


Article DOI: 10.1016/j.bmcl.2012.10.121
BindingDB Entry DOI: 10.7270/Q21C1Z5X
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50426796
PNG
(CHEMBL2322765)
Show SMILES CC(C)Cn1ncnc1-c1cc2CCOc3cc(ccc3-c2s1)C(N)=O
Show InChI InChI=1S/C19H20N4O2S/c1-11(2)9-23-19(21-10-22-23)16-8-12-5-6-25-15-7-13(18(20)24)3-4-14(15)17(12)26-16/h3-4,7-8,10-11H,5-6,9H2,1-2H3,(H2,20,24)
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n/an/a 279n/an/an/an/an/an/a



Genentech, Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha-mediated AKT Ser 473 phosphorylation in human PC3 cells


Bioorg Med Chem Lett 23: 897-901 (2013)


Article DOI: 10.1016/j.bmcl.2012.10.121
BindingDB Entry DOI: 10.7270/Q21C1Z5X
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50426795
PNG
(CHEMBL2322769)
Show SMILES CC(C)(O)Cn1ncnc1-c1cc2CCOc3cc(ccc3-c2s1)C(N)=O
Show InChI InChI=1S/C19H20N4O3S/c1-19(2,25)9-23-18(21-10-22-23)15-8-11-5-6-26-14-7-12(17(20)24)3-4-13(14)16(11)27-15/h3-4,7-8,10,25H,5-6,9H2,1-2H3,(H2,20,24)
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n/an/a 481n/an/an/an/an/an/a



Genentech, Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha-mediated AKT Ser 473 phosphorylation in human PC3 cells


Bioorg Med Chem Lett 23: 897-901 (2013)


Article DOI: 10.1016/j.bmcl.2012.10.121
BindingDB Entry DOI: 10.7270/Q21C1Z5X
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50426794
PNG
(CHEMBL2322770)
Show SMILES NC(=O)c1ccc2-c3sc(cc3CCOc2c1)-c1ncnn1CC(F)(F)F
Show InChI InChI=1S/C17H13F3N4O2S/c18-17(19,20)7-24-16(22-8-23-24)13-6-9-3-4-26-12-5-10(15(21)25)1-2-11(12)14(9)27-13/h1-2,5-6,8H,3-4,7H2,(H2,21,25)
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n/an/a 487n/an/an/an/an/an/a



Genentech, Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha-mediated AKT Ser 473 phosphorylation in human PC3 cells


Bioorg Med Chem Lett 23: 897-901 (2013)


Article DOI: 10.1016/j.bmcl.2012.10.121
BindingDB Entry DOI: 10.7270/Q21C1Z5X
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50426807
PNG
(CHEMBL2322779)
Show SMILES NC(=O)c1cnc2-c3sc(cc3CCOc2c1)-c1[nH]nnc1-c1ccc(F)cc1F
Show InChI InChI=1S/C20H13F2N5O2S/c21-11-1-2-12(13(22)7-11)16-18(26-27-25-16)15-6-9-3-4-29-14-5-10(20(23)28)8-24-17(14)19(9)30-15/h1-2,5-8H,3-4H2,(H2,23,28)(H,25,26,27)
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n/an/a 500n/an/an/an/an/an/a



Genentech, Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha-mediated AKT Ser 473 phosphorylation in human PC3 cells


Bioorg Med Chem Lett 23: 897-901 (2013)


Article DOI: 10.1016/j.bmcl.2012.10.121
BindingDB Entry DOI: 10.7270/Q21C1Z5X
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50426793
PNG
(CHEMBL2322766)
Show SMILES NC(=O)c1ccc2-c3sc(cc3CCOc2c1)-c1ncnn1C1CCC1
Show InChI InChI=1S/C19H18N4O2S/c20-18(24)12-4-5-14-15(8-12)25-7-6-11-9-16(26-17(11)14)19-21-10-22-23(19)13-2-1-3-13/h4-5,8-10,13H,1-3,6-7H2,(H2,20,24)
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n/an/a 563n/an/an/an/an/an/a



Genentech, Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha-mediated AKT Ser 473 phosphorylation in human PC3 cells


Bioorg Med Chem Lett 23: 897-901 (2013)


Article DOI: 10.1016/j.bmcl.2012.10.121
BindingDB Entry DOI: 10.7270/Q21C1Z5X
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50426791
PNG
(CHEMBL2322498)
Show SMILES CN(C1CCCCC1)C(=O)c1cc2CCOc3ccccc3-c2s1
Show InChI InChI=1S/C20H23NO2S/c1-21(15-7-3-2-4-8-15)20(22)18-13-14-11-12-23-17-10-6-5-9-16(17)19(14)24-18/h5-6,9-10,13,15H,2-4,7-8,11-12H2,1H3
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n/an/a 885n/an/an/an/an/an/a



Genentech, Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3Kalpha (unknown origin)-mediated 3,4,5-inositoltriphosphate formation after 30 mins by TAMRA-PIP3-based competitive fluo...


Bioorg Med Chem Lett 23: 897-901 (2013)


Article DOI: 10.1016/j.bmcl.2012.10.121
BindingDB Entry DOI: 10.7270/Q21C1Z5X
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50426800
PNG
(CHEMBL2322767)
Show SMILES NC(=O)c1ccc2-c3sc(cc3CCOc2c1)-c1ncnn1CCO
Show InChI InChI=1S/C17H16N4O3S/c18-16(23)11-1-2-12-13(7-11)24-6-3-10-8-14(25-15(10)12)17-19-9-20-21(17)4-5-22/h1-2,7-9,22H,3-6H2,(H2,18,23)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Genentech, Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha-mediated AKT Ser 473 phosphorylation in human PC3 cells


Bioorg Med Chem Lett 23: 897-901 (2013)


Article DOI: 10.1016/j.bmcl.2012.10.121
BindingDB Entry DOI: 10.7270/Q21C1Z5X
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50426799
PNG
(CHEMBL2322771)
Show SMILES CN(C(=O)c1cc2CCOc3ccccc3-c2s1)c1ccc(F)cc1F
Show InChI InChI=1S/C20H15F2NO2S/c1-23(16-7-6-13(21)11-15(16)22)20(24)18-10-12-8-9-25-17-5-3-2-4-14(17)19(12)26-18/h2-7,10-11H,8-9H2,1H3
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n/an/a>1.00E+3n/an/an/an/an/an/a



Genentech, Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha-mediated AKT Ser 473 phosphorylation in human PC3 cells


Bioorg Med Chem Lett 23: 897-901 (2013)


Article DOI: 10.1016/j.bmcl.2012.10.121
BindingDB Entry DOI: 10.7270/Q21C1Z5X
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50426803
PNG
(CHEMBL2322772)
Show SMILES CN(C(=O)c1cc2CCOc3cccnc3-c2s1)c1ccccc1Cl
Show InChI InChI=1S/C19H15ClN2O2S/c1-22(14-6-3-2-5-13(14)20)19(23)16-11-12-8-10-24-15-7-4-9-21-17(15)18(12)25-16/h2-7,9,11H,8,10H2,1H3
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n/an/a>1.00E+3n/an/an/an/an/an/a



Genentech, Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha-mediated AKT Ser 473 phosphorylation in human PC3 cells


Bioorg Med Chem Lett 23: 897-901 (2013)


Article DOI: 10.1016/j.bmcl.2012.10.121
BindingDB Entry DOI: 10.7270/Q21C1Z5X
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50347085
PNG
(CHEMBL1796271)
Show SMILES CN(C(=O)c1cc2CCOc3ccccc3-c2s1)c1ccccc1Cl
Show InChI InChI=1S/C20H16ClNO2S/c1-22(16-8-4-3-7-15(16)21)20(23)18-12-13-10-11-24-17-9-5-2-6-14(17)19(13)25-18/h2-9,12H,10-11H2,1H3
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n/an/a>1.00E+3n/an/an/an/an/an/a



Genentech, Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha-mediated AKT Ser 473 phosphorylation in human PC3 cells


Bioorg Med Chem Lett 23: 897-901 (2013)


Article DOI: 10.1016/j.bmcl.2012.10.121
BindingDB Entry DOI: 10.7270/Q21C1Z5X
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50426792
PNG
(CHEMBL2322499)
Show SMILES CC(C)N(C)C(=O)c1cc2CCOc3ccccc3-c2s1
Show InChI InChI=1S/C17H19NO2S/c1-11(2)18(3)17(19)15-10-12-8-9-20-14-7-5-4-6-13(14)16(12)21-15/h4-7,10-11H,8-9H2,1-3H3
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n/an/a>2.00E+3n/an/an/an/an/an/a



Genentech, Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3Kalpha (unknown origin)-mediated 3,4,5-inositoltriphosphate formation after 30 mins by TAMRA-PIP3-based competitive fluo...


Bioorg Med Chem Lett 23: 897-901 (2013)


Article DOI: 10.1016/j.bmcl.2012.10.121
BindingDB Entry DOI: 10.7270/Q21C1Z5X
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%