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PubMed code 19690175

Compile data set for download or QSAR
Found 25 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))
BDBM92585
PNG
(ETP-45658, 13)
Show SMILES Cn1ncc2c(nc(nc12)-c1cccc(O)c1)N1CCOCC1
Show InChI InChI=1S/C16H17N5O2/c1-20-15-13(10-17-20)16(21-5-7-23-8-6-21)19-14(18-15)11-3-2-4-12(22)9-11/h2-4,9-10,22H,5-8H2,1H3
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PubMed
n/an/a 22n/an/an/an/an/an/a



Spanish National Cancer Research Center (CNIO)



Assay Description
Kinase assay using PI3K.


J Biol Chem 284: 28392-400 (2009)


Article DOI: 10.1074/jbc.M109.038984
BindingDB Entry DOI: 10.7270/Q2N01556
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (human))
BDBM92582
PNG
(ETP-45798, 9)
Show SMILES Cn1ncc2c(nc(nc12)N1CCOCC1)-c1cccc(O)c1
Show InChI InChI=1S/C16H17N5O2/c1-20-15-13(10-17-20)14(11-3-2-4-12(22)9-11)18-16(19-15)21-5-7-23-8-6-21/h2-4,9-10,22H,5-8H2,1H3
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n/an/a 114n/an/an/an/an/an/a



Spanish National Cancer Research Center (CNIO)



Assay Description
Kinase assay using PI3K.


J Biol Chem 284: 28392-400 (2009)


Article DOI: 10.1074/jbc.M109.038984
BindingDB Entry DOI: 10.7270/Q2N01556
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (human))
BDBM50328064
PNG
(CHEMBL1258354 | ETP-7382 | N-(3-methoxyphenyl)-1-m...)
Show SMILES COc1cccc(Nc2nc(nc3n(C)ncc23)N2CCOCC2)c1
Show InChI InChI=1S/C17H20N6O2/c1-22-16-14(11-18-22)15(19-12-4-3-5-13(10-12)24-2)20-17(21-16)23-6-8-25-9-7-23/h3-5,10-11H,6-9H2,1-2H3,(H,19,20,21)
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n/an/a 400n/an/an/an/an/an/a



Spanish National Cancer Research Center (CNIO)



Assay Description
Kinase assay using PI3K.


J Biol Chem 284: 28392-400 (2009)


Article DOI: 10.1074/jbc.M109.038984
BindingDB Entry DOI: 10.7270/Q2N01556
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (human))
BDBM92586
PNG
(ETP-45867, 14)
Show SMILES COC(=O)c1cccc(c1)-c1nc(N2CCOCC2)c2cnn(C)c2n1
Show InChI InChI=1S/C18H19N5O3/c1-22-16-14(11-19-22)17(23-6-8-26-9-7-23)21-15(20-16)12-4-3-5-13(10-12)18(24)25-2/h3-5,10-11H,6-9H2,1-2H3
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n/an/a 840n/an/an/an/an/an/a



Spanish National Cancer Research Center (CNIO)



Assay Description
Kinase assay using PI3K.


J Biol Chem 284: 28392-400 (2009)


Article DOI: 10.1074/jbc.M109.038984
BindingDB Entry DOI: 10.7270/Q2N01556
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (human))
BDBM92584
PNG
(ETP-45874, 11)
Show SMILES Cc1cccc(Oc2nc(nc3n(C)ncc23)N2CCOCC2)c1
Show InChI InChI=1S/C17H19N5O2/c1-12-4-3-5-13(10-12)24-16-14-11-18-21(2)15(14)19-17(20-16)22-6-8-23-9-7-22/h3-5,10-11H,6-9H2,1-2H3
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n/an/a 970n/an/an/an/an/an/a



Spanish National Cancer Research Center (CNIO)



Assay Description
Kinase assay using PI3K.


J Biol Chem 284: 28392-400 (2009)


Article DOI: 10.1074/jbc.M109.038984
BindingDB Entry DOI: 10.7270/Q2N01556
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (human))
BDBM92583
PNG
(ETP-45799, 10)
Show SMILES Cn1ncc2c(nc(nc12)N1CCOCC1)-c1cccc(NS(C)(=O)=O)c1
Show InChI InChI=1S/C17H20N6O3S/c1-22-16-14(11-18-22)15(19-17(20-16)23-6-8-26-9-7-23)12-4-3-5-13(10-12)21-27(2,24)25/h3-5,10-11,21H,6-9H2,1-2H3
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n/an/a 1.66E+3n/an/an/an/an/an/a



Spanish National Cancer Research Center (CNIO)



Assay Description
Kinase assay using PI3K.


J Biol Chem 284: 28392-400 (2009)


Article DOI: 10.1074/jbc.M109.038984
BindingDB Entry DOI: 10.7270/Q2N01556
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (human))
BDBM92588
PNG
(ETP-45875, 16)
Show SMILES CSc1cccc(c1)-c1nc(N2CCOCC2)c2cnn(C)c2n1
Show InChI InChI=1S/C17H19N5OS/c1-21-16-14(11-18-21)17(22-6-8-23-9-7-22)20-15(19-16)12-4-3-5-13(10-12)24-2/h3-5,10-11H,6-9H2,1-2H3
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n/an/a 3.53E+3n/an/an/an/an/an/a



Spanish National Cancer Research Center (CNIO)



Assay Description
Kinase assay using PI3K.


J Biol Chem 284: 28392-400 (2009)


Article DOI: 10.1074/jbc.M109.038984
BindingDB Entry DOI: 10.7270/Q2N01556
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (human))
BDBM92574
PNG
(ETP-5935)
Show SMILES CN1CCN(CC1)c1nc(Nc2cccc(Cl)c2)c2cnn(C)c2n1
Show InChI InChI=1S/C17H20ClN7/c1-23-6-8-25(9-7-23)17-21-15(14-11-19-24(2)16(14)22-17)20-13-5-3-4-12(18)10-13/h3-5,10-11H,6-9H2,1-2H3,(H,20,21,22)
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n/an/a 4.90E+3n/an/an/an/an/an/a



Spanish National Cancer Research Center (CNIO)



Assay Description
Kinase assay using PI3K.


J Biol Chem 284: 28392-400 (2009)


Article DOI: 10.1074/jbc.M109.038984
BindingDB Entry DOI: 10.7270/Q2N01556
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (human))
BDBM92579
PNG
(ETP-45419, 3d)
Show SMILES Cn1ncc2c(Oc3ccc(Cl)cc3)nc(nc12)N1CCOCC1
Show InChI InChI=1S/C16H16ClN5O2/c1-21-14-13(10-18-21)15(24-12-4-2-11(17)3-5-12)20-16(19-14)22-6-8-23-9-7-22/h2-5,10H,6-9H2,1H3
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n/an/a 5.51E+3n/an/an/an/an/an/a



Spanish National Cancer Research Center (CNIO)



Assay Description
Kinase assay using PI3K.


J Biol Chem 284: 28392-400 (2009)


Article DOI: 10.1074/jbc.M109.038984
BindingDB Entry DOI: 10.7270/Q2N01556
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (human))
BDBM92587
PNG
(ETP-45871, 15)
Show SMILES COc1cccc(c1)-c1nc(N2CCOCC2)c2cnn(C)c2n1
Show InChI InChI=1S/C17H19N5O2/c1-21-16-14(11-18-21)17(22-6-8-24-9-7-22)20-15(19-16)12-4-3-5-13(10-12)23-2/h3-5,10-11H,6-9H2,1-2H3
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n/an/a 5.80E+3n/an/an/an/an/an/a



Spanish National Cancer Research Center (CNIO)



Assay Description
Kinase assay using PI3K.


J Biol Chem 284: 28392-400 (2009)


Article DOI: 10.1074/jbc.M109.038984
BindingDB Entry DOI: 10.7270/Q2N01556
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (human))
BDBM92589
PNG
(ETP-45876, 17)
Show SMILES CC(=O)Nc1cccc(c1)-c1nc(N2CCOCC2)c2cnn(C)c2n1
Show InChI InChI=1S/C18H20N6O2/c1-12(25)20-14-5-3-4-13(10-14)16-21-17-15(11-19-23(17)2)18(22-16)24-6-8-26-9-7-24/h3-5,10-11H,6-9H2,1-2H3,(H,20,25)
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n/an/a 7.00E+3n/an/an/an/an/an/a



Spanish National Cancer Research Center (CNIO)



Assay Description
Kinase assay using PI3K.


J Biol Chem 284: 28392-400 (2009)


Article DOI: 10.1074/jbc.M109.038984
BindingDB Entry DOI: 10.7270/Q2N01556
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (human))
BDBM50298309
PNG
(CHEMBL574533 | ETP-7146 | N-(3-methoxyphenyl)-1-me...)
Show SMILES COc1cccc(Nc2nc(nc3n(C)ncc23)N2CCN(C)CC2)c1
Show InChI InChI=1S/C18H23N7O/c1-23-7-9-25(10-8-23)18-21-16(15-12-19-24(2)17(15)22-18)20-13-5-4-6-14(11-13)26-3/h4-6,11-12H,7-10H2,1-3H3,(H,20,21,22)
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n/an/a 9.20E+3n/an/an/an/an/an/a



Spanish National Cancer Research Center (CNIO)



Assay Description
Kinase assay using PI3K.


J Biol Chem 284: 28392-400 (2009)


Article DOI: 10.1074/jbc.M109.038984
BindingDB Entry DOI: 10.7270/Q2N01556
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (human))
BDBM92573
PNG
(ETP-8162)
Show SMILES COc1cccc(Nc2nc(nc3n(C)ncc23)N2CCN(CCO)CC2)c1
Show InChI InChI=1S/C19H25N7O2/c1-24-18-16(13-20-24)17(21-14-4-3-5-15(12-14)28-2)22-19(23-18)26-8-6-25(7-9-26)10-11-27/h3-5,12-13,27H,6-11H2,1-2H3,(H,21,22,23)
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n/an/a 1.26E+4n/an/an/an/an/an/a



Spanish National Cancer Research Center (CNIO)



Assay Description
Kinase assay using PI3K.


J Biol Chem 284: 28392-400 (2009)


Article DOI: 10.1074/jbc.M109.038984
BindingDB Entry DOI: 10.7270/Q2N01556
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (human))
BDBM92575
PNG
(ETP-6531)
Show SMILES CC1CN(CC(C)O1)c1nc(Nc2ccccc2)c2cnn(C)c2n1
Show InChI InChI=1S/C18H22N6O/c1-12-10-24(11-13(2)25-12)18-21-16(20-14-7-5-4-6-8-14)15-9-19-23(3)17(15)22-18/h4-9,12-13H,10-11H2,1-3H3,(H,20,21,22)
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n/an/a 1.26E+4n/an/an/an/an/an/a



Spanish National Cancer Research Center (CNIO)



Assay Description
Kinase assay using PI3K.


J Biol Chem 284: 28392-400 (2009)


Article DOI: 10.1074/jbc.M109.038984
BindingDB Entry DOI: 10.7270/Q2N01556
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (human))
BDBM92585
PNG
(ETP-45658, 13)
Show SMILES Cn1ncc2c(nc(nc12)-c1cccc(O)c1)N1CCOCC1
Show InChI InChI=1S/C16H17N5O2/c1-20-15-13(10-17-20)16(21-5-7-23-8-6-21)19-14(18-15)11-3-2-4-12(22)9-11/h2-4,9-10,22H,5-8H2,1H3
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n/an/a 1.31E+4n/an/an/an/an/an/a



Spanish National Cancer Research Center (CNIO)



Assay Description
Kinase assay using PI3K.


J Biol Chem 284: 28392-400 (2009)


Article DOI: 10.1074/jbc.M109.038984
BindingDB Entry DOI: 10.7270/Q2N01556
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (human))
BDBM92581
PNG
(ETP-45797, 7)
Show SMILES CC(C)Oc1nc(nc2n(C)ncc12)N1CCOCC1
Show InChI InChI=1S/C13H19N5O2/c1-9(2)20-12-10-8-14-17(3)11(10)15-13(16-12)18-4-6-19-7-5-18/h8-9H,4-7H2,1-3H3
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n/an/a 1.61E+4n/an/an/an/an/an/a



Spanish National Cancer Research Center (CNIO)



Assay Description
Kinase assay using PI3K.


J Biol Chem 284: 28392-400 (2009)


Article DOI: 10.1074/jbc.M109.038984
BindingDB Entry DOI: 10.7270/Q2N01556
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (human))
BDBM92585
PNG
(ETP-45658, 13)
Show SMILES Cn1ncc2c(nc(nc12)-c1cccc(O)c1)N1CCOCC1
Show InChI InChI=1S/C16H17N5O2/c1-20-15-13(10-17-20)16(21-5-7-23-8-6-21)19-14(18-15)11-3-2-4-12(22)9-11/h2-4,9-10,22H,5-8H2,1H3
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n/an/a 1.68E+4n/an/an/an/an/an/a



Spanish National Cancer Research Center (CNIO)



Assay Description
Kinase assay using PI3K.


J Biol Chem 284: 28392-400 (2009)


Article DOI: 10.1074/jbc.M109.038984
BindingDB Entry DOI: 10.7270/Q2N01556
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (human))
BDBM92576
PNG
(ETP-45415, 3a)
Show SMILES Cn1ncc2c(OCc3ccccc3)nc(nc12)N1CCOCC1
Show InChI InChI=1S/C17H19N5O2/c1-21-15-14(11-18-21)16(24-12-13-5-3-2-4-6-13)20-17(19-15)22-7-9-23-10-8-22/h2-6,11H,7-10,12H2,1H3
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n/an/a 3.51E+4n/an/an/an/an/an/a



Spanish National Cancer Research Center (CNIO)



Assay Description
Kinase assay using PI3K.


J Biol Chem 284: 28392-400 (2009)


Article DOI: 10.1074/jbc.M109.038984
BindingDB Entry DOI: 10.7270/Q2N01556
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (human))
BDBM92577
PNG
(ETP-45416, 3b)
Show SMILES Cn1ncc2c(NCc3ccccc3)nc(nc12)N1CCOCC1
Show InChI InChI=1S/C17H20N6O/c1-22-16-14(12-19-22)15(18-11-13-5-3-2-4-6-13)20-17(21-16)23-7-9-24-10-8-23/h2-6,12H,7-11H2,1H3,(H,18,20,21)
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n/an/a 3.68E+4n/an/an/an/an/an/a



Spanish National Cancer Research Center (CNIO)



Assay Description
Kinase assay using PI3K.


J Biol Chem 284: 28392-400 (2009)


Article DOI: 10.1074/jbc.M109.038984
BindingDB Entry DOI: 10.7270/Q2N01556
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (human))
BDBM92585
PNG
(ETP-45658, 13)
Show SMILES Cn1ncc2c(nc(nc12)-c1cccc(O)c1)N1CCOCC1
Show InChI InChI=1S/C16H17N5O2/c1-20-15-13(10-17-20)16(21-5-7-23-8-6-21)19-14(18-15)11-3-2-4-12(22)9-11/h2-4,9-10,22H,5-8H2,1H3
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n/an/a 3.98E+4n/an/an/an/an/an/a



Spanish National Cancer Research Center (CNIO)



Assay Description
Kinase assay using PI3K.


J Biol Chem 284: 28392-400 (2009)


Article DOI: 10.1074/jbc.M109.038984
BindingDB Entry DOI: 10.7270/Q2N01556
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (human))
BDBM92580
PNG
(ETP-45700, 6)
Show SMILES Cn1ncc2c1nc([nH]c2=O)N1CCOCC1
Show InChI InChI=1S/C10H13N5O2/c1-14-8-7(6-11-14)9(16)13-10(12-8)15-2-4-17-5-3-15/h6H,2-5H2,1H3,(H,12,13,16)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Spanish National Cancer Research Center (CNIO)



Assay Description
Kinase assay using PI3K.


J Biol Chem 284: 28392-400 (2009)


Article DOI: 10.1074/jbc.M109.038984
BindingDB Entry DOI: 10.7270/Q2N01556
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (human))
BDBM92578
PNG
(ETP-45654, 3c)
Show SMILES Cn1ncc2c(SCc3ccccc3)nc(nc12)N1CCOCC1
Show InChI InChI=1S/C17H19N5OS/c1-21-15-14(11-18-21)16(24-12-13-5-3-2-4-6-13)20-17(19-15)22-7-9-23-10-8-22/h2-6,11H,7-10,12H2,1H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



Spanish National Cancer Research Center (CNIO)



Assay Description
Kinase assay using PI3K.


J Biol Chem 284: 28392-400 (2009)


Article DOI: 10.1074/jbc.M109.038984
BindingDB Entry DOI: 10.7270/Q2N01556
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (human))
BDBM92585
PNG
(ETP-45658, 13)
Show SMILES Cn1ncc2c(nc(nc12)-c1cccc(O)c1)N1CCOCC1
Show InChI InChI=1S/C16H17N5O2/c1-20-15-13(10-17-20)16(21-5-7-23-8-6-21)19-14(18-15)11-3-2-4-12(22)9-11/h2-4,9-10,22H,5-8H2,1H3
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n/an/a 1.29E+5n/an/an/an/an/an/a



Spanish National Cancer Research Center (CNIO)



Assay Description
Kinase assay using PI3K.


J Biol Chem 284: 28392-400 (2009)


Article DOI: 10.1074/jbc.M109.038984
BindingDB Entry DOI: 10.7270/Q2N01556
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM92585
PNG
(ETP-45658, 13)
Show SMILES Cn1ncc2c(nc(nc12)-c1cccc(O)c1)N1CCOCC1
Show InChI InChI=1S/C16H17N5O2/c1-20-15-13(10-17-20)16(21-5-7-23-8-6-21)19-14(18-15)11-3-2-4-12(22)9-11/h2-4,9-10,22H,5-8H2,1H3
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n/an/a 1.52E+5n/an/an/an/an/an/a



Spanish National Cancer Research Center (CNIO)



Assay Description
Kinase assay using PI3K.


J Biol Chem 284: 28392-400 (2009)


Article DOI: 10.1074/jbc.M109.038984
BindingDB Entry DOI: 10.7270/Q2N01556
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (human))
BDBM92585
PNG
(ETP-45658, 13)
Show SMILES Cn1ncc2c(nc(nc12)-c1cccc(O)c1)N1CCOCC1
Show InChI InChI=1S/C16H17N5O2/c1-20-15-13(10-17-20)16(21-5-7-23-8-6-21)19-14(18-15)11-3-2-4-12(22)9-11/h2-4,9-10,22H,5-8H2,1H3
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n/an/a 7.17E+5n/an/an/an/an/an/a



Spanish National Cancer Research Center (CNIO)



Assay Description
Kinase assay using PI3K.


J Biol Chem 284: 28392-400 (2009)


Article DOI: 10.1074/jbc.M109.038984
BindingDB Entry DOI: 10.7270/Q2N01556
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%