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Compile Data Set for Download or QSAR

Found 656 hits with Last Name = 'schrag' and Initial = 'm'   
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))
BDBM50343209
PNG
(CHEMBL1773731 | N-(6-(6-Chloro-5-(3-chlorophenylsu...)
Show SMILES CC(=O)Nc1nc2ccc(cc2s1)-c1cnc(Cl)c(NS(=O)(=O)c2cccc(Cl)c2)c1
Show InChI InChI=1S/C20H14Cl2N4O3S2/c1-11(27)24-20-25-16-6-5-12(8-18(16)30-20)13-7-17(19(22)23-10-13)26-31(28,29)15-4-2-3-14(21)9-15/h2-10,26H,1H3,(H,24,25,27)
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<1n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha expressed in Sf9 cells


J Med Chem 54: 1789-811 (2011)


Article DOI: 10.1021/jm1014605
BindingDB Entry DOI: 10.7270/Q2TH8N1K
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50343206
PNG
(CHEMBL1773728 | N-(6-(6-Chloro-5-(3-(trifluorometh...)
Show SMILES CC(=O)Nc1nc2ccc(cc2s1)-c1cnc(Cl)c(NS(=O)(=O)c2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C21H14ClF3N4O3S2/c1-11(30)27-20-28-16-6-5-12(8-18(16)33-20)13-7-17(19(22)26-10-13)29-34(31,32)15-4-2-3-14(9-15)21(23,24)25/h2-10,29H,1H3,(H,27,28,30)
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<1n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha expressed in Sf9 cells


J Med Chem 54: 1789-811 (2011)


Article DOI: 10.1021/jm1014605
BindingDB Entry DOI: 10.7270/Q2TH8N1K
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50343203
PNG
(CHEMBL1773604 | N-(6-(6-Chloro-5-(4-methoxyphenyls...)
Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1cc(cnc1Cl)-c1ccc2nc(NC(C)=O)sc2c1
Show InChI InChI=1S/C21H17ClN4O4S2/c1-12(27)24-21-25-17-8-3-13(10-19(17)31-21)14-9-18(20(22)23-11-14)26-32(28,29)16-6-4-15(30-2)5-7-16/h3-11,26H,1-2H3,(H,24,25,27)
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<1n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha expressed in Sf9 cells


J Med Chem 54: 1789-811 (2011)


Article DOI: 10.1021/jm1014605
BindingDB Entry DOI: 10.7270/Q2TH8N1K
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50343210
PNG
(CHEMBL1773732 | N-(6-(6-Chloro-5-(4-chlorophenylsu...)
Show SMILES CC(=O)Nc1nc2ccc(cc2s1)-c1cnc(Cl)c(NS(=O)(=O)c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C20H14Cl2N4O3S2/c1-11(27)24-20-25-16-7-2-12(9-18(16)30-20)13-8-17(19(22)23-10-13)26-31(28,29)15-5-3-14(21)4-6-15/h2-10,26H,1H3,(H,24,25,27)
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<1n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha expressed in Sf9 cells


J Med Chem 54: 1789-811 (2011)


Article DOI: 10.1021/jm1014605
BindingDB Entry DOI: 10.7270/Q2TH8N1K
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50343211
PNG
(CHEMBL1773733 | N-(6-(5-(3-tert-Butylphenylsulfona...)
Show SMILES CC(=O)Nc1nc2ccc(cc2s1)-c1cnc(Cl)c(NS(=O)(=O)c2cccc(c2)C(C)(C)C)c1
Show InChI InChI=1S/C24H23ClN4O3S2/c1-14(30)27-23-28-19-9-8-15(11-21(19)33-23)16-10-20(22(25)26-13-16)29-34(31,32)18-7-5-6-17(12-18)24(2,3)4/h5-13,29H,1-4H3,(H,27,28,30)
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<1n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha expressed in Sf9 cells


J Med Chem 54: 1789-811 (2011)


Article DOI: 10.1021/jm1014605
BindingDB Entry DOI: 10.7270/Q2TH8N1K
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50343207
PNG
(CHEMBL1773729 | N-(6-(6-Chloro-5-(4-(trifluorometh...)
Show SMILES CC(=O)Nc1nc2ccc(cc2s1)-c1cnc(Cl)c(NS(=O)(=O)c2ccc(cc2)C(F)(F)F)c1
Show InChI InChI=1S/C21H14ClF3N4O3S2/c1-11(30)27-20-28-16-7-2-12(9-18(16)33-20)13-8-17(19(22)26-10-13)29-34(31,32)15-5-3-14(4-6-15)21(23,24)25/h2-10,29H,1H3,(H,27,28,30)
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<1n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha expressed in Sf9 cells


J Med Chem 54: 1789-811 (2011)


Article DOI: 10.1021/jm1014605
BindingDB Entry DOI: 10.7270/Q2TH8N1K
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50343208
PNG
(CHEMBL1773730 | N-(6-(6-Chloro-5-(2-chlorophenylsu...)
Show SMILES CC(=O)Nc1nc2ccc(cc2s1)-c1cnc(Cl)c(NS(=O)(=O)c2ccccc2Cl)c1
Show InChI InChI=1S/C20H14Cl2N4O3S2/c1-11(27)24-20-25-15-7-6-12(9-17(15)30-20)13-8-16(19(22)23-10-13)26-31(28,29)18-5-3-2-4-14(18)21/h2-10,26H,1H3,(H,24,25,27)
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<1n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha expressed in Sf9 cells


J Med Chem 54: 1789-811 (2011)


Article DOI: 10.1021/jm1014605
BindingDB Entry DOI: 10.7270/Q2TH8N1K
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50343213
PNG
(CHEMBL1773735 | N-(6-(6-Chloro-5-(2-fluorophenylsu...)
Show SMILES CC(=O)Nc1nc2ccc(cc2s1)-c1cnc(Cl)c(NS(=O)(=O)c2ccccc2F)c1
Show InChI InChI=1S/C20H14ClFN4O3S2/c1-11(27)24-20-25-15-7-6-12(9-17(15)30-20)13-8-16(19(21)23-10-13)26-31(28,29)18-5-3-2-4-14(18)22/h2-10,26H,1H3,(H,24,25,27)
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<1n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha expressed in Sf9 cells


J Med Chem 54: 1789-811 (2011)


Article DOI: 10.1021/jm1014605
BindingDB Entry DOI: 10.7270/Q2TH8N1K
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50343212
PNG
(CHEMBL1773734 | N-(6-(6-Chloro-5-(4-tert-butylphen...)
Show SMILES CC(=O)Nc1nc2ccc(cc2s1)-c1cnc(Cl)c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)c1
Show InChI InChI=1S/C24H23ClN4O3S2/c1-14(30)27-23-28-19-10-5-15(12-21(19)33-23)16-11-20(22(25)26-13-16)29-34(31,32)18-8-6-17(7-9-18)24(2,3)4/h5-13,29H,1-4H3,(H,27,28,30)
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<1n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha expressed in Sf9 cells


J Med Chem 54: 1789-811 (2011)


Article DOI: 10.1021/jm1014605
BindingDB Entry DOI: 10.7270/Q2TH8N1K
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50343205
PNG
(CHEMBL1773606 | N-(6-(6-Chloro-5-(2-(trifluorometh...)
Show SMILES CC(=O)Nc1nc2ccc(cc2s1)-c1cnc(Cl)c(NS(=O)(=O)c2ccccc2C(F)(F)F)c1
Show InChI InChI=1S/C21H14ClF3N4O3S2/c1-11(30)27-20-28-15-7-6-12(9-17(15)33-20)13-8-16(19(22)26-10-13)29-34(31,32)18-5-3-2-4-14(18)21(23,24)25/h2-10,29H,1H3,(H,27,28,30)
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<1n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha expressed in Sf9 cells


J Med Chem 54: 1789-811 (2011)


Article DOI: 10.1021/jm1014605
BindingDB Entry DOI: 10.7270/Q2TH8N1K
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50343214
PNG
(CHEMBL1773736 | N-(6-(6-Chloro-5-(3-fluorophenylsu...)
Show SMILES CC(=O)Nc1nc2ccc(cc2s1)-c1cnc(Cl)c(NS(=O)(=O)c2cccc(F)c2)c1
Show InChI InChI=1S/C20H14ClFN4O3S2/c1-11(27)24-20-25-16-6-5-12(8-18(16)30-20)13-7-17(19(21)23-10-13)26-31(28,29)15-4-2-3-14(22)9-15/h2-10,26H,1H3,(H,24,25,27)
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1.10n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha expressed in Sf9 cells


J Med Chem 54: 1789-811 (2011)


Article DOI: 10.1021/jm1014605
BindingDB Entry DOI: 10.7270/Q2TH8N1K
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50343200
PNG
(CHEMBL1615189 | N-(6-(6-Chloro-5-(4-fluorophenylsu...)
Show SMILES CC(=O)Nc1nc2ccc(cc2s1)-c1cnc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1
Show InChI InChI=1S/C20H14ClFN4O3S2/c1-11(27)24-20-25-16-7-2-12(9-18(16)30-20)13-8-17(19(21)23-10-13)26-31(28,29)15-5-3-14(22)4-6-15/h2-10,26H,1H3,(H,24,25,27)
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1.20n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha expressed in Sf9 cells


J Med Chem 54: 1789-811 (2011)


Article DOI: 10.1021/jm1014605
BindingDB Entry DOI: 10.7270/Q2TH8N1K
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50343202
PNG
(CHEMBL1773603 | N-(6-(5-(4-Methoxyphenylsulfonamid...)
Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1cc(cnc1C)-c1ccc2nc(NC(C)=O)sc2c1
Show InChI InChI=1S/C22H20N4O4S2/c1-13-20(26-32(28,29)18-7-5-17(30-3)6-8-18)10-16(12-23-13)15-4-9-19-21(11-15)31-22(25-19)24-14(2)27/h4-12,26H,1-3H3,(H,24,25,27)
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1.20n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha expressed in Sf9 cells


J Med Chem 54: 1789-811 (2011)


Article DOI: 10.1021/jm1014605
BindingDB Entry DOI: 10.7270/Q2TH8N1K
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50343200
PNG
(CHEMBL1615189 | N-(6-(6-Chloro-5-(4-fluorophenylsu...)
Show SMILES CC(=O)Nc1nc2ccc(cc2s1)-c1cnc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1
Show InChI InChI=1S/C20H14ClFN4O3S2/c1-11(27)24-20-25-16-7-2-12(9-18(16)30-20)13-8-17(19(21)23-10-13)26-31(28,29)15-5-3-14(22)4-6-15/h2-10,26H,1H3,(H,24,25,27)
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1.20n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kdelta expressed in Sf9 cells


J Med Chem 54: 1789-811 (2011)


Article DOI: 10.1021/jm1014605
BindingDB Entry DOI: 10.7270/Q2TH8N1K
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50343204
PNG
(CHEMBL1773605 | N-(6-(6-Chloro-5-(phenylsulfonamid...)
Show SMILES CC(=O)Nc1nc2ccc(cc2s1)-c1cnc(Cl)c(NS(=O)(=O)c2ccccc2)c1
Show InChI InChI=1S/C20H15ClN4O3S2/c1-12(26)23-20-24-16-8-7-13(10-18(16)29-20)14-9-17(19(21)22-11-14)25-30(27,28)15-5-3-2-4-6-15/h2-11,25H,1H3,(H,23,24,26)
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1.40n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha expressed in Sf9 cells


J Med Chem 54: 1789-811 (2011)


Article DOI: 10.1021/jm1014605
BindingDB Entry DOI: 10.7270/Q2TH8N1K
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50343201
PNG
(CHEMBL1773602 | N-(6-(6-Cyano-5-(4-methoxyphenylsu...)
Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1cc(cnc1C#N)-c1ccc2nc(NC(C)=O)sc2c1
Show InChI InChI=1S/C22H17N5O4S2/c1-13(28)25-22-26-18-8-3-14(10-21(18)32-22)15-9-19(20(11-23)24-12-15)27-33(29,30)17-6-4-16(31-2)5-7-17/h3-10,12,27H,1-2H3,(H,25,26,28)
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1.40n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha expressed in Sf9 cells


J Med Chem 54: 1789-811 (2011)


Article DOI: 10.1021/jm1014605
BindingDB Entry DOI: 10.7270/Q2TH8N1K
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50343197
PNG
(CHEMBL1773599 | N-(6-(5-(4-Methoxyphenylsulfonamid...)
Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1cncc(c1)-c1ccc2nc(NC(C)=O)sc2c1
Show InChI InChI=1S/C21H18N4O4S2/c1-13(26)23-21-24-19-8-3-14(10-20(19)30-21)15-9-16(12-22-11-15)25-31(27,28)18-6-4-17(29-2)5-7-18/h3-12,25H,1-2H3,(H,23,24,26)
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1.60n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha expressed in Sf9 cells


J Med Chem 54: 1789-811 (2011)


Article DOI: 10.1021/jm1014605
BindingDB Entry DOI: 10.7270/Q2TH8N1K
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50343200
PNG
(CHEMBL1615189 | N-(6-(6-Chloro-5-(4-fluorophenylsu...)
Show SMILES CC(=O)Nc1nc2ccc(cc2s1)-c1cnc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1
Show InChI InChI=1S/C20H14ClFN4O3S2/c1-11(27)24-20-25-16-7-2-12(9-18(16)30-20)13-8-17(19(21)23-10-13)26-31(28,29)15-5-3-14(22)4-6-15/h2-10,26H,1H3,(H,24,25,27)
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2n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kbeta expressed in Sf9 cells


J Med Chem 54: 1789-811 (2011)


Article DOI: 10.1021/jm1014605
BindingDB Entry DOI: 10.7270/Q2TH8N1K
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50343200
PNG
(CHEMBL1615189 | N-(6-(6-Chloro-5-(4-fluorophenylsu...)
Show SMILES CC(=O)Nc1nc2ccc(cc2s1)-c1cnc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1
Show InChI InChI=1S/C20H14ClFN4O3S2/c1-11(27)24-20-25-16-7-2-12(9-18(16)30-20)13-8-17(19(21)23-10-13)26-31(28,29)15-5-3-14(22)4-6-15/h2-10,26H,1H3,(H,24,25,27)
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4.70n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kgamma expressed in Sf9 cells


J Med Chem 54: 1789-811 (2011)


Article DOI: 10.1021/jm1014605
BindingDB Entry DOI: 10.7270/Q2TH8N1K
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50343198
PNG
(CHEMBL1773600 | N-(6-(6-(4-Methoxyphenylsulfonamid...)
Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1cncc(n1)-c1ccc2nc(NC(C)=O)sc2c1
Show InChI InChI=1S/C20H17N5O4S2/c1-12(26)22-20-24-16-8-3-13(9-18(16)30-20)17-10-21-11-19(23-17)25-31(27,28)15-6-4-14(29-2)5-7-15/h3-11H,1-2H3,(H,23,25)(H,22,24,26)
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9n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha expressed in Sf9 cells


J Med Chem 54: 1789-811 (2011)


Article DOI: 10.1021/jm1014605
BindingDB Entry DOI: 10.7270/Q2TH8N1K
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50343196
PNG
(CHEMBL1773558 | N-(6-(2-(4-Methoxyphenylsulfonamid...)
Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1cc(ccn1)-c1ccc2nc(NC(C)=O)sc2c1
Show InChI InChI=1S/C21H18N4O4S2/c1-13(26)23-21-24-18-8-3-14(11-19(18)30-21)15-9-10-22-20(12-15)25-31(27,28)17-6-4-16(29-2)5-7-17/h3-12H,1-2H3,(H,22,25)(H,23,24,26)
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13n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha expressed in Sf9 cells


J Med Chem 54: 1789-811 (2011)


Article DOI: 10.1021/jm1014605
BindingDB Entry DOI: 10.7270/Q2TH8N1K
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50343232
PNG
(CHEMBL1773559 | N-(6-(2-(4-Methoxyphenylthio)pyrim...)
Show SMILES COc1ccc(Sc2nccc(n2)-c2ccc3nc(NC(C)=O)sc3c2)cc1
Show InChI InChI=1S/C20H16N4O2S2/c1-12(25)22-20-24-17-8-3-13(11-18(17)28-20)16-9-10-21-19(23-16)27-15-6-4-14(26-2)5-7-15/h3-11H,1-2H3,(H,22,24,25)
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18n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha expressed in Sf9 cells


J Med Chem 54: 1789-811 (2011)


Article DOI: 10.1021/jm1014605
BindingDB Entry DOI: 10.7270/Q2TH8N1K
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50343235
PNG
(CHEMBL1773077 | N-(6-(2-(3-Methoxybenzyloxy)pyrimi...)
Show SMILES COc1cccc(COc2nccc(n2)-c2ccc3nc(NC(C)=O)sc3c2)c1
Show InChI InChI=1S/C21H18N4O3S/c1-13(26)23-21-25-18-7-6-15(11-19(18)29-21)17-8-9-22-20(24-17)28-12-14-4-3-5-16(10-14)27-2/h3-11H,12H2,1-2H3,(H,23,25,26)
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18n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha expressed in Sf9 cells


J Med Chem 54: 1789-811 (2011)


Article DOI: 10.1021/jm1014605
BindingDB Entry DOI: 10.7270/Q2TH8N1K
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50343246
PNG
(CHEMBL1773572 | N-(6-(2-(2-Phenylpropan-2-ylamino)...)
Show SMILES CC(=O)Nc1nc2ccc(cc2s1)-c1ccnc(NC(C)(C)c2ccccc2)n1
Show InChI InChI=1S/C22H21N5OS/c1-14(28)24-21-26-18-10-9-15(13-19(18)29-21)17-11-12-23-20(25-17)27-22(2,3)16-7-5-4-6-8-16/h4-13H,1-3H3,(H,23,25,27)(H,24,26,28)
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24n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha expressed in Sf9 cells


J Med Chem 54: 1789-811 (2011)


Article DOI: 10.1021/jm1014605
BindingDB Entry DOI: 10.7270/Q2TH8N1K
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50343225
PNG
(CHEMBL1773592 | N-(6-(2-(3-Fluorophenylthio)pyrimi...)
Show SMILES CC(=O)Nc1nc2ccc(cc2s1)-c1ccnc(Sc2cccc(F)c2)n1
Show InChI InChI=1S/C19H13FN4OS2/c1-11(25)22-19-24-16-6-5-12(9-17(16)27-19)15-7-8-21-18(23-15)26-14-4-2-3-13(20)10-14/h2-10H,1H3,(H,22,24,25)
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31n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha expressed in Sf9 cells


J Med Chem 54: 1789-811 (2011)


Article DOI: 10.1021/jm1014605
BindingDB Entry DOI: 10.7270/Q2TH8N1K
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50343227
PNG
(CHEMBL1773594 | N-(6-(2-(2-Methylphenylthio)pyrimi...)
Show SMILES CC(=O)Nc1nc2ccc(cc2s1)-c1ccnc(Sc2ccccc2C)n1
Show InChI InChI=1S/C20H16N4OS2/c1-12-5-3-4-6-17(12)26-19-21-10-9-15(23-19)14-7-8-16-18(11-14)27-20(24-16)22-13(2)25/h3-11H,1-2H3,(H,22,24,25)
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31n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha expressed in Sf9 cells


J Med Chem 54: 1789-811 (2011)


Article DOI: 10.1021/jm1014605
BindingDB Entry DOI: 10.7270/Q2TH8N1K
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (Human))
BDBM50343200
PNG
(CHEMBL1615189 | N-(6-(6-Chloro-5-(4-fluorophenylsu...)
Show SMILES CC(=O)Nc1nc2ccc(cc2s1)-c1cnc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1
Show InChI InChI=1S/C20H14ClFN4O3S2/c1-11(27)24-20-25-16-7-2-12(9-18(16)30-20)13-8-17(19(21)23-10-13)26-31(28,29)15-5-3-14(22)4-6-15/h2-10,26H,1H3,(H,24,25,27)
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31n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human VPS34 after 30 mins by fluorescence-based immunoassay


J Med Chem 54: 1789-811 (2011)


Article DOI: 10.1021/jm1014605
BindingDB Entry DOI: 10.7270/Q2TH8N1K
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50343242
PNG
(CHEMBL1773568 | N-(6-(2-(3-Phenylpropoxy)pyrimidin...)
Show SMILES CC(=O)Nc1nc2ccc(cc2s1)-c1ccnc(OCCCc2ccccc2)n1
Show InChI InChI=1S/C22H20N4O2S/c1-15(27)24-22-26-19-10-9-17(14-20(19)29-22)18-11-12-23-21(25-18)28-13-5-8-16-6-3-2-4-7-16/h2-4,6-7,9-12,14H,5,8,13H2,1H3,(H,24,26,27)
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32n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha expressed in Sf9 cells


J Med Chem 54: 1789-811 (2011)


Article DOI: 10.1021/jm1014605
BindingDB Entry DOI: 10.7270/Q2TH8N1K
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50343195
PNG
(CHEMBL1773582 | N-(6-(2-(4-Methyl-N-methylphenylsu...)
Show SMILES CN(c1nccc(n1)-c1ccc2nc(NC(C)=O)sc2c1)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C21H19N5O3S2/c1-13-4-7-16(8-5-13)31(28,29)26(3)20-22-11-10-17(24-20)15-6-9-18-19(12-15)30-21(25-18)23-14(2)27/h4-12H,1-3H3,(H,23,25,27)
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38n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha expressed in Sf9 cells


J Med Chem 54: 1789-811 (2011)


Article DOI: 10.1021/jm1014605
BindingDB Entry DOI: 10.7270/Q2TH8N1K
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50343216
PNG
(CHEMBL1773583 | N-(6-(2-(Phenylthio)pyrimidin-4-yl...)
Show SMILES CC(=O)Nc1nc2ccc(cc2s1)-c1ccnc(Sc2ccccc2)n1
Show InChI InChI=1S/C19H14N4OS2/c1-12(24)21-19-23-16-8-7-13(11-17(16)26-19)15-9-10-20-18(22-15)25-14-5-3-2-4-6-14/h2-11H,1H3,(H,21,23,24)
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40n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha expressed in Sf9 cells


J Med Chem 54: 1789-811 (2011)


Article DOI: 10.1021/jm1014605
BindingDB Entry DOI: 10.7270/Q2TH8N1K
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50343190
PNG
(CHEMBL1773577 | N-(6-(2-(2-Fluorophenylsulfonamido...)
Show SMILES CC(=O)Nc1nc2ccc(cc2s1)-c1ccnc(NS(=O)(=O)c2ccccc2F)n1
Show InChI InChI=1S/C19H14FN5O3S2/c1-11(26)22-19-24-15-7-6-12(10-16(15)29-19)14-8-9-21-18(23-14)25-30(27,28)17-5-3-2-4-13(17)20/h2-10H,1H3,(H,21,23,25)(H,22,24,26)
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41n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha expressed in Sf9 cells


J Med Chem 54: 1789-811 (2011)


Article DOI: 10.1021/jm1014605
BindingDB Entry DOI: 10.7270/Q2TH8N1K
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50343226
PNG
(CHEMBL1773593 | N-(6-(2-(4-Fluorophenylthio)pyrimi...)
Show SMILES CC(=O)Nc1nc2ccc(cc2s1)-c1ccnc(Sc2ccc(F)cc2)n1
Show InChI InChI=1S/C19H13FN4OS2/c1-11(25)22-19-24-16-7-2-12(10-17(16)27-19)15-8-9-21-18(23-15)26-14-5-3-13(20)4-6-14/h2-10H,1H3,(H,22,24,25)
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44n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha expressed in Sf9 cells


J Med Chem 54: 1789-811 (2011)


Article DOI: 10.1021/jm1014605
BindingDB Entry DOI: 10.7270/Q2TH8N1K
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50343224
PNG
(CHEMBL1773591 | N-(6-(2-(2-Fluorophenylthio)pyrimi...)
Show SMILES CC(=O)Nc1nc2ccc(cc2s1)-c1ccnc(Sc2ccccc2F)n1
Show InChI InChI=1S/C19H13FN4OS2/c1-11(25)22-19-24-15-7-6-12(10-17(15)27-19)14-8-9-21-18(23-14)26-16-5-3-2-4-13(16)20/h2-10H,1H3,(H,22,24,25)
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46n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha expressed in Sf9 cells


J Med Chem 54: 1789-811 (2011)


Article DOI: 10.1021/jm1014605
BindingDB Entry DOI: 10.7270/Q2TH8N1K
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50343234
PNG
(CHEMBL1773561 | N-(6-(2-(3-Methylbenzyloxy)pyrimid...)
Show SMILES CC(=O)Nc1nc2ccc(cc2s1)-c1ccnc(OCc2cccc(C)c2)n1
Show InChI InChI=1S/C21H18N4O2S/c1-13-4-3-5-15(10-13)12-27-20-22-9-8-17(24-20)16-6-7-18-19(11-16)28-21(25-18)23-14(2)26/h3-11H,12H2,1-2H3,(H,23,25,26)
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47n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha expressed in Sf9 cells


J Med Chem 54: 1789-811 (2011)


Article DOI: 10.1021/jm1014605
BindingDB Entry DOI: 10.7270/Q2TH8N1K
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50343217
PNG
(CHEMBL1773584 | N-(6-(2-(Benzylthio)pyrimidin-4-yl...)
Show SMILES CC(=O)Nc1nc2ccc(cc2s1)-c1ccnc(SCc2ccccc2)n1
Show InChI InChI=1S/C20H16N4OS2/c1-13(25)22-20-24-17-8-7-15(11-18(17)27-20)16-9-10-21-19(23-16)26-12-14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,22,24,25)
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47n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha expressed in Sf9 cells


J Med Chem 54: 1789-811 (2011)


Article DOI: 10.1021/jm1014605
BindingDB Entry DOI: 10.7270/Q2TH8N1K
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50343231
PNG
(CHEMBL1773598 | N-(6-(2-(3-Methoxyphenylthio)pyrim...)
Show SMILES COc1cccc(Sc2nccc(n2)-c2ccc3nc(NC(C)=O)sc3c2)c1
Show InChI InChI=1S/C20H16N4O2S2/c1-12(25)22-20-24-17-7-6-13(10-18(17)28-20)16-8-9-21-19(23-16)27-15-5-3-4-14(11-15)26-2/h3-11H,1-2H3,(H,22,24,25)
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48n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha expressed in Sf9 cells


J Med Chem 54: 1789-811 (2011)


Article DOI: 10.1021/jm1014605
BindingDB Entry DOI: 10.7270/Q2TH8N1K
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50343199
PNG
(CHEMBL1773601 | N-(6-(3-(4-Methoxyphenylsulfonamid...)
Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)-c1ccc2nc(NC(C)=O)sc2c1
Show InChI InChI=1S/C22H19N3O4S2/c1-14(26)23-22-24-20-11-6-16(13-21(20)30-22)15-4-3-5-17(12-15)25-31(27,28)19-9-7-18(29-2)8-10-19/h3-13,25H,1-2H3,(H,23,24,26)
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48n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha expressed in Sf9 cells


J Med Chem 54: 1789-811 (2011)


Article DOI: 10.1021/jm1014605
BindingDB Entry DOI: 10.7270/Q2TH8N1K
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50343215
PNG
(CHEMBL1615188 | N-(6-(2-(methylthio)pyrimidin-4-yl...)
Show SMILES CSc1nccc(n1)-c1ccc2nc(NC(C)=O)sc2c1
Show InChI InChI=1S/C14H12N4OS2/c1-8(19)16-14-18-11-4-3-9(7-12(11)21-14)10-5-6-15-13(17-10)20-2/h3-7H,1-2H3,(H,16,18,19)
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53n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha expressed in Sf9 cells


J Med Chem 54: 1789-811 (2011)


Article DOI: 10.1021/jm1014605
BindingDB Entry DOI: 10.7270/Q2TH8N1K
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50343215
PNG
(CHEMBL1615188 | N-(6-(2-(methylthio)pyrimidin-4-yl...)
Show SMILES CSc1nccc(n1)-c1ccc2nc(NC(C)=O)sc2c1
Show InChI InChI=1S/C14H12N4OS2/c1-8(19)16-14-18-11-4-3-9(7-12(11)21-14)10-5-6-15-13(17-10)20-2/h3-7H,1-2H3,(H,16,18,19)
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53n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha expressed in Sf9 cells


J Med Chem 54: 1789-811 (2011)


Article DOI: 10.1021/jm1014605
BindingDB Entry DOI: 10.7270/Q2TH8N1K
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50343228
PNG
(CHEMBL1773595 | N-(6-(2-(3-Methylphenylthio)pyrimi...)
Show SMILES CC(=O)Nc1nc2ccc(cc2s1)-c1ccnc(Sc2cccc(C)c2)n1
Show InChI InChI=1S/C20H16N4OS2/c1-12-4-3-5-15(10-12)26-19-21-9-8-16(23-19)14-6-7-17-18(11-14)27-20(24-17)22-13(2)25/h3-11H,1-2H3,(H,22,24,25)
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53n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha expressed in Sf9 cells


J Med Chem 54: 1789-811 (2011)


Article DOI: 10.1021/jm1014605
BindingDB Entry DOI: 10.7270/Q2TH8N1K
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50343237
PNG
(CHEMBL1773563 | N-(6-(2-(4-Methylbenzyloxy)pyrimid...)
Show SMILES CC(=O)Nc1nc2ccc(cc2s1)-c1ccnc(OCc2ccc(C)cc2)n1
Show InChI InChI=1S/C21H18N4O2S/c1-13-3-5-15(6-4-13)12-27-20-22-10-9-17(24-20)16-7-8-18-19(11-16)28-21(25-18)23-14(2)26/h3-11H,12H2,1-2H3,(H,23,25,26)
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58n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha expressed in Sf9 cells


J Med Chem 54: 1789-811 (2011)


Article DOI: 10.1021/jm1014605
BindingDB Entry DOI: 10.7270/Q2TH8N1K
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50343238
PNG
(CHEMBL1773564 | N-(6-(2-(4-Methoxybenzyloxy)pyrimi...)
Show SMILES COc1ccc(COc2nccc(n2)-c2ccc3nc(NC(C)=O)sc3c2)cc1
Show InChI InChI=1S/C21H18N4O3S/c1-13(26)23-21-25-18-8-5-15(11-19(18)29-21)17-9-10-22-20(24-17)28-12-14-3-6-16(27-2)7-4-14/h3-11H,12H2,1-2H3,(H,23,25,26)
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58n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha expressed in Sf9 cells


J Med Chem 54: 1789-811 (2011)


Article DOI: 10.1021/jm1014605
BindingDB Entry DOI: 10.7270/Q2TH8N1K
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50343229
PNG
(CHEMBL1773596 | N-(6-(2-(4-Methylphenylthio)pyrimi...)
Show SMILES CC(=O)Nc1nc2ccc(cc2s1)-c1ccnc(Sc2ccc(C)cc2)n1
Show InChI InChI=1S/C20H16N4OS2/c1-12-3-6-15(7-4-12)26-19-21-10-9-16(23-19)14-5-8-17-18(11-14)27-20(24-17)22-13(2)25/h3-11H,1-2H3,(H,22,24,25)
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59n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha expressed in Sf9 cells


J Med Chem 54: 1789-811 (2011)


Article DOI: 10.1021/jm1014605
BindingDB Entry DOI: 10.7270/Q2TH8N1K
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50343233
PNG
(CHEMBL1773560 | N-(6-(2-(3-Fluorobenzyloxy)pyrimid...)
Show SMILES CC(=O)Nc1nc2ccc(cc2s1)-c1ccnc(OCc2cccc(F)c2)n1
Show InChI InChI=1S/C20H15FN4O2S/c1-12(26)23-20-25-17-6-5-14(10-18(17)28-20)16-7-8-22-19(24-16)27-11-13-3-2-4-15(21)9-13/h2-10H,11H2,1H3,(H,23,25,26)
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61n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha expressed in Sf9 cells


J Med Chem 54: 1789-811 (2011)


Article DOI: 10.1021/jm1014605
BindingDB Entry DOI: 10.7270/Q2TH8N1K
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50343189
PNG
(CHEMBL1773576 | N-(6-(2-(N-Ethyl-4-methoxyphenylsu...)
Show SMILES CCN(c1nccc(n1)-c1ccc2nc(NC(C)=O)sc2c1)S(=O)(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C22H21N5O4S2/c1-4-27(33(29,30)17-8-6-16(31-3)7-9-17)21-23-12-11-18(25-21)15-5-10-19-20(13-15)32-22(26-19)24-14(2)28/h5-13H,4H2,1-3H3,(H,24,26,28)
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62n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha expressed in Sf9 cells


J Med Chem 54: 1789-811 (2011)


Article DOI: 10.1021/jm1014605
BindingDB Entry DOI: 10.7270/Q2TH8N1K
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50343191
PNG
(CHEMBL1773578 | N-(6-(2-(2-Fluoro-N-methylphenylsu...)
Show SMILES CN(c1nccc(n1)-c1ccc2nc(NC(C)=O)sc2c1)S(=O)(=O)c1ccccc1F
Show InChI InChI=1S/C20H16FN5O3S2/c1-12(27)23-20-25-16-8-7-13(11-17(16)30-20)15-9-10-22-19(24-15)26(2)31(28,29)18-6-4-3-5-14(18)21/h3-11H,1-2H3,(H,23,25,27)
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65n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha expressed in Sf9 cells


J Med Chem 54: 1789-811 (2011)


Article DOI: 10.1021/jm1014605
BindingDB Entry DOI: 10.7270/Q2TH8N1K
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50343249
PNG
(CHEMBL1773575 | N-(6-(2-(4-Methoxy-N-methylphenyls...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(C)c1nccc(n1)-c1ccc2nc(NC(C)=O)sc2c1
Show InChI InChI=1S/C21H19N5O4S2/c1-13(27)23-21-25-18-9-4-14(12-19(18)31-21)17-10-11-22-20(24-17)26(2)32(28,29)16-7-5-15(30-3)6-8-16/h4-12H,1-3H3,(H,23,25,27)
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76n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha expressed in Sf9 cells


J Med Chem 54: 1789-811 (2011)


Article DOI: 10.1021/jm1014605
BindingDB Entry DOI: 10.7270/Q2TH8N1K
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50343194
PNG
(CHEMBL1773581 | N-(6-(2-(4-Methylphenylsulfonamido...)
Show SMILES CC(=O)Nc1nc2ccc(cc2s1)-c1ccnc(NS(=O)(=O)c2ccc(C)cc2)n1
Show InChI InChI=1S/C20H17N5O3S2/c1-12-3-6-15(7-4-12)30(27,28)25-19-21-10-9-16(23-19)14-5-8-17-18(11-14)29-20(24-17)22-13(2)26/h3-11H,1-2H3,(H,21,23,25)(H,22,24,26)
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82n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha expressed in Sf9 cells


J Med Chem 54: 1789-811 (2011)


Article DOI: 10.1021/jm1014605
BindingDB Entry DOI: 10.7270/Q2TH8N1K
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50343192
PNG
(CHEMBL1773579 | N-(6-(2-(3-Fluorophenylsulfonamido...)
Show SMILES CC(=O)Nc1nc2ccc(cc2s1)-c1ccnc(NS(=O)(=O)c2cccc(F)c2)n1
Show InChI InChI=1S/C19H14FN5O3S2/c1-11(26)22-19-24-16-6-5-12(9-17(16)29-19)15-7-8-21-18(23-15)25-30(27,28)14-4-2-3-13(20)10-14/h2-10H,1H3,(H,21,23,25)(H,22,24,26)
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84n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha expressed in Sf9 cells


J Med Chem 54: 1789-811 (2011)


Article DOI: 10.1021/jm1014605
BindingDB Entry DOI: 10.7270/Q2TH8N1K
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50343221
PNG
(CHEMBL1773588 | N-(6-(2-(Benzylamino)pyrimidin-4-y...)
Show SMILES CC(=O)Nc1nc2ccc(cc2s1)-c1ccnc(NCc2ccccc2)n1
Show InChI InChI=1S/C20H17N5OS/c1-13(26)23-20-25-17-8-7-15(11-18(17)27-20)16-9-10-21-19(24-16)22-12-14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,21,22,24)(H,23,25,26)
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85n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha expressed in Sf9 cells


J Med Chem 54: 1789-811 (2011)


Article DOI: 10.1021/jm1014605
BindingDB Entry DOI: 10.7270/Q2TH8N1K
More data for this
Ligand-Target Pair
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