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Compile Data Set for Download or QSAR

Found 887 hits with Last Name = 'booker' and Initial = 'sk'   
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))
BDBM50357645
PNG
(CHEMBL1738719)
Show SMILES Fc1ccc(cc1)S(=O)(=O)Nc1cc(cnc1Cl)-c1ccc2nccc(N3CCOCC3)c2c1
Show InChI InChI=1S/C24H20ClFN4O3S/c25-24-22(29-34(31,32)19-4-2-18(26)3-5-19)14-17(15-28-24)16-1-6-21-20(13-16)23(7-8-27-21)30-9-11-33-12-10-30/h1-8,13-15,29H,9-12H2
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0.600n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminus polyHis-tagged human recombinant PI3Kalpha expressed in baculovirus infected insect Sf9 cells using phosphoinositol-4,5-bisp...


J Med Chem 54: 4735-51 (2011)


Article DOI: 10.1021/jm200386s
BindingDB Entry DOI: 10.7270/Q2FB53C5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50357674
PNG
(CHEMBL1914739)
Show SMILES Fc1ccc(cc1)S(=O)(=O)Nc1cc(cnc1Cl)-c1ccc2ncc(nc2c1)N1CCC(F)(F)CC1
Show InChI InChI=1S/C24H19ClF3N5O2S/c25-23-21(32-36(34,35)18-4-2-17(26)3-5-18)12-16(13-30-23)15-1-6-19-20(11-15)31-22(14-29-19)33-9-7-24(27,28)8-10-33/h1-6,11-14,32H,7-10H2
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0.600n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminus polyHis-tagged human recombinant PI3Kalpha expressed in baculovirus infected insect Sf9 cells using phosphoinositol-4,5-bisp...


J Med Chem 54: 4735-51 (2011)


Article DOI: 10.1021/jm200386s
BindingDB Entry DOI: 10.7270/Q2FB53C5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50357652
PNG
(CHEMBL1914726)
Show SMILES Fc1ccc(cc1)S(=O)(=O)Nc1cc(cnc1Cl)-c1ccc2nccc(-c3cccnc3)c2c1
Show InChI InChI=1S/C25H16ClFN4O2S/c26-25-24(31-34(32,33)20-6-4-19(27)5-7-20)13-18(15-30-25)16-3-8-23-22(12-16)21(9-11-29-23)17-2-1-10-28-14-17/h1-15,31H
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0.700n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminus polyHis-tagged human recombinant PI3Kalpha expressed in baculovirus infected insect Sf9 cells using phosphoinositol-4,5-bisp...


J Med Chem 54: 4735-51 (2011)


Article DOI: 10.1021/jm200386s
BindingDB Entry DOI: 10.7270/Q2FB53C5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50357665
PNG
(CHEMBL1914728)
Show SMILES CN(C)c1ccc(cc1)-c1ccnc2ccc(cc12)-c1cnc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1
Show InChI InChI=1S/C28H22ClFN4O2S/c1-34(2)22-8-3-18(4-9-22)24-13-14-31-26-12-5-19(15-25(24)26)20-16-27(28(29)32-17-20)33-37(35,36)23-10-6-21(30)7-11-23/h3-17,33H,1-2H3
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0.700n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminus polyHis-tagged human recombinant PI3Kalpha expressed in baculovirus infected insect Sf9 cells using phosphoinositol-4,5-bisp...


J Med Chem 54: 4735-51 (2011)


Article DOI: 10.1021/jm200386s
BindingDB Entry DOI: 10.7270/Q2FB53C5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50351949
PNG
(CHEMBL1822054)
Show SMILES CC(=O)Nc1cn2nc(ccc2n1)-c1cnc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1
Show InChI InChI=1S/C19H14ClFN6O3S/c1-11(28)23-17-10-27-18(24-17)7-6-15(25-27)12-8-16(19(20)22-9-12)26-31(29,30)14-4-2-13(21)3-5-14/h2-10,26H,1H3,(H,23,28)
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0.800n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His-tagged PI3Kdelta expressed in insect Sf9 cells using PI(4,5)P2 as substrate after 20 mins by alphascreen assay in ...


J Med Chem 54: 5174-84 (2011)


Article DOI: 10.1021/jm2004442
BindingDB Entry DOI: 10.7270/Q2V12567
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50357653
PNG
(CHEMBL1914727)
Show SMILES Fc1ccc(cc1)S(=O)(=O)Nc1cc(cnc1Cl)-c1ccc2nccc(-c3ccncc3)c2c1
Show InChI InChI=1S/C25H16ClFN4O2S/c26-25-24(31-34(32,33)20-4-2-19(27)3-5-20)14-18(15-30-25)17-1-6-23-22(13-17)21(9-12-29-23)16-7-10-28-11-8-16/h1-15,31H
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0.800n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminus polyHis-tagged human recombinant PI3Kalpha expressed in baculovirus infected insect Sf9 cells using phosphoinositol-4,5-bisp...


J Med Chem 54: 4735-51 (2011)


Article DOI: 10.1021/jm200386s
BindingDB Entry DOI: 10.7270/Q2FB53C5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50357668
PNG
(CHEMBL1914731)
Show SMILES Fc1ccc(cc1)S(=O)(=O)Nc1cc(cnc1Cl)-c1ccc2ncc(NCC3CCCCC3)nc2c1
Show InChI InChI=1S/C26H25ClFN5O2S/c27-26-24(33-36(34,35)21-9-7-20(28)8-10-21)13-19(15-31-26)18-6-11-22-23(12-18)32-25(16-29-22)30-14-17-4-2-1-3-5-17/h6-13,15-17,33H,1-5,14H2,(H,30,32)
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0.800n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminus polyHis-tagged human recombinant PI3Kalpha expressed in baculovirus infected insect Sf9 cells using phosphoinositol-4,5-bisp...


J Med Chem 54: 4735-51 (2011)


Article DOI: 10.1021/jm200386s
BindingDB Entry DOI: 10.7270/Q2FB53C5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50357650
PNG
(CHEMBL1914742)
Show SMILES CC(C)N1CCN(CC1)c1cnc2ccc(cc2n1)-c1cnc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1
Show InChI InChI=1S/C26H26ClFN6O2S/c1-17(2)33-9-11-34(12-10-33)25-16-29-22-8-3-18(13-23(22)31-25)19-14-24(26(27)30-15-19)32-37(35,36)21-6-4-20(28)5-7-21/h3-8,13-17,32H,9-12H2,1-2H3
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0.800n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminus polyHis-tagged human recombinant PI3Kalpha expressed in baculovirus infected insect Sf9 cells using phosphoinositol-4,5-bisp...


J Med Chem 54: 4735-51 (2011)


Article DOI: 10.1021/jm200386s
BindingDB Entry DOI: 10.7270/Q2FB53C5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50357670
PNG
(CHEMBL1914734)
Show SMILES Fc1ccc(cc1)S(=O)(=O)Nc1cc(cnc1Cl)-c1ccc2ncc(NCCc3ccccc3)nc2c1
Show InChI InChI=1S/C27H21ClFN5O2S/c28-27-25(34-37(35,36)22-9-7-21(29)8-10-22)15-20(16-32-27)19-6-11-23-24(14-19)33-26(17-31-23)30-13-12-18-4-2-1-3-5-18/h1-11,14-17,34H,12-13H2,(H,30,33)
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0.800n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminus polyHis-tagged human recombinant PI3Kalpha expressed in baculovirus infected insect Sf9 cells using phosphoinositol-4,5-bisp...


J Med Chem 54: 4735-51 (2011)


Article DOI: 10.1021/jm200386s
BindingDB Entry DOI: 10.7270/Q2FB53C5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50357662
PNG
(CHEMBL1914721)
Show SMILES OC1CCN(CC1)c1ccnc2ccc(cc12)-c1cnc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1
Show InChI InChI=1S/C25H22ClFN4O3S/c26-25-23(30-35(33,34)20-4-2-18(27)3-5-20)14-17(15-29-25)16-1-6-22-21(13-16)24(7-10-28-22)31-11-8-19(32)9-12-31/h1-7,10,13-15,19,30,32H,8-9,11-12H2
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0.900n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha-mediated Akt phosphorylation at Ser 473 in human U87MG cells


J Med Chem 54: 4735-51 (2011)


Article DOI: 10.1021/jm200386s
BindingDB Entry DOI: 10.7270/Q2FB53C5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50357673
PNG
(CHEMBL1914738)
Show SMILES Fc1ccc(cc1)S(=O)(=O)Nc1cc(cnc1Cl)-c1ccc2ncc(nc2c1)N1CCCCC1
Show InChI InChI=1S/C24H21ClFN5O2S/c25-24-22(30-34(32,33)19-7-5-18(26)6-8-19)13-17(14-28-24)16-4-9-20-21(12-16)29-23(15-27-20)31-10-2-1-3-11-31/h4-9,12-15,30H,1-3,10-11H2
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0.900n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminus polyHis-tagged human recombinant PI3Kalpha expressed in baculovirus infected insect Sf9 cells using phosphoinositol-4,5-bisp...


J Med Chem 54: 4735-51 (2011)


Article DOI: 10.1021/jm200386s
BindingDB Entry DOI: 10.7270/Q2FB53C5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50357651
PNG
(CHEMBL1914724)
Show SMILES Fc1ccc(cc1)S(=O)(=O)Nc1cc(cnc1Cl)-c1ccc2nccc(N3CCN(Cc4ccncc4)CC3)c2c1
Show InChI InChI=1S/C30H26ClFN6O2S/c31-30-28(36-41(39,40)25-4-2-24(32)3-5-25)18-23(19-35-30)22-1-6-27-26(17-22)29(9-12-34-27)38-15-13-37(14-16-38)20-21-7-10-33-11-8-21/h1-12,17-19,36H,13-16,20H2
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0.900n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminus polyHis-tagged human recombinant PI3Kalpha expressed in baculovirus infected insect Sf9 cells using phosphoinositol-4,5-bisp...


J Med Chem 54: 4735-51 (2011)


Article DOI: 10.1021/jm200386s
BindingDB Entry DOI: 10.7270/Q2FB53C5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50357666
PNG
(CHEMBL1914729)
Show SMILES COCCNc1cnc2ccc(cc2n1)-c1cnc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1
Show InChI InChI=1S/C22H19ClFN5O3S/c1-32-9-8-25-21-13-26-18-7-2-14(10-19(18)28-21)15-11-20(22(23)27-12-15)29-33(30,31)17-5-3-16(24)4-6-17/h2-7,10-13,29H,8-9H2,1H3,(H,25,28)
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0.900n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminus polyHis-tagged human recombinant PI3Kalpha expressed in baculovirus infected insect Sf9 cells using phosphoinositol-4,5-bisp...


J Med Chem 54: 4735-51 (2011)


Article DOI: 10.1021/jm200386s
BindingDB Entry DOI: 10.7270/Q2FB53C5
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))
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))
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))
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))
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))
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))
BDBM50357675
PNG
(CHEMBL1914740)
Show SMILES Fc1ccc(cc1)S(=O)(=O)Nc1cc(cnc1Cl)-c1ccc2ncc(nc2c1)N1C[C@H]2CC[C@H](CC2)C1 |r,wD:30.39,33.37,(27.04,-36.48,;27.04,-38.02,;28.38,-38.79,;28.39,-40.33,;27.05,-41.09,;25.72,-40.34,;25.71,-38.8,;27.05,-42.63,;25.96,-43.72,;25.56,-42.23,;28.39,-43.4,;28.4,-44.94,;29.73,-45.71,;29.74,-47.26,;28.4,-48.03,;27.06,-47.26,;27.07,-45.71,;25.73,-44.94,;31.07,-48.03,;31.07,-49.57,;32.4,-50.34,;33.74,-49.57,;35.08,-50.34,;36.43,-49.56,;36.42,-47.99,;35.07,-47.23,;33.73,-48.01,;32.4,-47.25,;37.75,-47.21,;37.63,-45.67,;38.78,-44.64,;38.36,-46.12,;39.13,-47.45,;40.5,-47.6,;41.08,-46.19,;40.36,-44.9,;39.08,-48.09,)|
Show InChI InChI=1S/C27H25ClFN5O2S/c28-27-25(33-37(35,36)22-8-6-21(29)7-9-22)12-20(13-31-27)19-5-10-23-24(11-19)32-26(14-30-23)34-15-17-1-2-18(16-34)4-3-17/h5-14,17-18,33H,1-4,15-16H2/t17-,18+
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1n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminus polyHis-tagged human recombinant PI3Kalpha expressed in baculovirus infected insect Sf9 cells using phosphoinositol-4,5-bisp...


J Med Chem 54: 4735-51 (2011)


Article DOI: 10.1021/jm200386s
BindingDB Entry DOI: 10.7270/Q2FB53C5
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))
BDBM50357664
PNG
(CHEMBL1914723)
Show SMILES Fc1ccc(cc1)S(=O)(=O)Nc1cc(cnc1Cl)-c1ccc2nccc(N3CCN(Cc4ccccc4)CC3)c2c1
Show InChI InChI=1S/C31H27ClFN5O2S/c32-31-29(36-41(39,40)26-9-7-25(33)8-10-26)19-24(20-35-31)23-6-11-28-27(18-23)30(12-13-34-28)38-16-14-37(15-17-38)21-22-4-2-1-3-5-22/h1-13,18-20,36H,14-17,21H2
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1n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha-mediated Akt phosphorylation at Ser 473 in human U87MG cells


J Med Chem 54: 4735-51 (2011)


Article DOI: 10.1021/jm200386s
BindingDB Entry DOI: 10.7270/Q2FB53C5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50394838
PNG
(CHEMBL2165007 | US8772480, 141)
Show SMILES COc1ccc(Nc2ncc(Cc3ccc(cc3)S(C)(=O)=O)cc2-c2nc(C)nc(N)n2)cn1
Show InChI InChI=1S/C23H23N7O3S/c1-14-27-22(30-23(24)28-14)19-11-16(10-15-4-7-18(8-5-15)34(3,31)32)12-26-21(19)29-17-6-9-20(33-2)25-13-17/h4-9,11-13H,10H2,1-3H3,(H,26,29)(H2,24,27,28,30)
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1n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal poly-His tagged-PI3Kdelta expressed in Sf9 baculovirus system co-expressing p85alpha after 20 mins by AlphaScreen assa...


J Med Chem 55: 5188-219 (2012)


Article DOI: 10.1021/jm300184s
BindingDB Entry DOI: 10.7270/Q23F4QSJ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50357644
PNG
(CHEMBL1914947)
Show SMILES Fc1ccc(cc1)S(=O)(=O)Nc1cc(cnc1Cl)-c1ccc2ncc(nc2c1)-c1ccncc1
Show InChI InChI=1S/C24H15ClFN5O2S/c25-24-22(31-34(32,33)19-4-2-18(26)3-5-19)12-17(13-29-24)16-1-6-20-21(11-16)30-23(14-28-20)15-7-9-27-10-8-15/h1-14,31H
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1n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminus polyHis-tagged human recombinant PI3Kalpha expressed in baculovirus infected insect Sf9 cells using phosphoinositol-4,5-bisp...


J Med Chem 54: 4735-51 (2011)


Article DOI: 10.1021/jm200386s
BindingDB Entry DOI: 10.7270/Q2FB53C5
More data for this
Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (Human))
BDBM50396809
PNG
(CHEMBL2170099 | US8772480, 147)
Show SMILES COc1ncc(Nc2ncc(cc2-c2nc(C)nc(N)n2)[C@H](C)N2CCN(CC2)S(C)(=O)=O)cc1F |r|
Show InChI InChI=1S/C22H28FN9O3S/c1-13(31-5-7-32(8-6-31)36(4,33)34)15-9-17(20-27-14(2)28-22(24)30-20)19(25-11-15)29-16-10-18(23)21(35-3)26-12-16/h9-13H,5-8H2,1-4H3,(H,25,29)(H2,24,27,28,30)/t13-/m0/s1
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1n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal polyHis-tagged PI3K p110delta/p85alpha expressed in baculovirus infected Sf9 cells using phosphatidylinositol-4,5-bisp...


J Med Chem 55: 7796-816 (2012)


Article DOI: 10.1021/jm300846z
BindingDB Entry DOI: 10.7270/Q2028SPT
More data for this
Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (Human))
BDBM50396807
PNG
(CHEMBL2170082 | US8772480, 316)
Show SMILES COc1ncc(Nc2ncc(CN3CCN(C[C@H]3C)S(C)(=O)=O)cc2-c2nc(C)nc(N)n2)cc1F |r|
Show InChI InChI=1S/C22H28FN9O3S/c1-13-11-32(36(4,33)34)6-5-31(13)12-15-7-17(20-27-14(2)28-22(24)30-20)19(25-9-15)29-16-8-18(23)21(35-3)26-10-16/h7-10,13H,5-6,11-12H2,1-4H3,(H,25,29)(H2,24,27,28,30)/t13-/m1/s1
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1n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal polyHis-tagged PI3K p110delta/p85alpha expressed in baculovirus infected Sf9 cells using phosphatidylinositol-4,5-bisp...


J Med Chem 55: 7796-816 (2012)


Article DOI: 10.1021/jm300846z
BindingDB Entry DOI: 10.7270/Q2028SPT
More data for this
Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (Human))
BDBM50396806
PNG
(CHEMBL2170083 | US8772480, 270)
Show SMILES COc1ncc(Nc2ncc(CN3CCN(C[C@@H]3C)S(C)(=O)=O)cc2-c2nc(C)nc(N)n2)cc1F |r|
Show InChI InChI=1S/C22H28FN9O3S/c1-13-11-32(36(4,33)34)6-5-31(13)12-15-7-17(20-27-14(2)28-22(24)30-20)19(25-9-15)29-16-8-18(23)21(35-3)26-10-16/h7-10,13H,5-6,11-12H2,1-4H3,(H,25,29)(H2,24,27,28,30)/t13-/m0/s1
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1n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal polyHis-tagged PI3K p110delta/p85alpha expressed in baculovirus infected Sf9 cells using phosphatidylinositol-4,5-bisp...


J Med Chem 55: 7796-816 (2012)


Article DOI: 10.1021/jm300846z
BindingDB Entry DOI: 10.7270/Q2028SPT
More data for this
Ligand-Target Pair
p110α/p85α


(Homo sapiens (Human))
BDBM50396820
PNG
(CHEMBL2170088 | US8772480, 272)
Show SMILES COc1ncc(Nc2ncc(cc2-c2nc(C)nc(N)n2)[C@@H](C)N2CCN(C[C@@H]2C)S(C)(=O)=O)cc1F |r|
Show InChI InChI=1S/C23H30FN9O3S/c1-13-12-32(37(5,34)35)6-7-33(13)14(2)16-8-18(21-28-15(3)29-23(25)31-21)20(26-10-16)30-17-9-19(24)22(36-4)27-11-17/h8-11,13-14H,6-7,12H2,1-5H3,(H,26,30)(H2,25,28,29,31)/t13-,14+/m0/s1
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1n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal polyHis-tagged PI3K p110alpha/p85alpha expressed in baculovirus infected Sf9 cells using phosphatidylinositol-4,5-bisp...


J Med Chem 55: 7796-816 (2012)


Article DOI: 10.1021/jm300846z
BindingDB Entry DOI: 10.7270/Q2028SPT
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50396808
PNG
(CHEMBL2170081 | US8772480, 148)
Show SMILES COc1ncc(Nc2ncc(cc2-c2nc(C)nc(N)n2)[C@@H](C)N2CCN(CC2)S(C)(=O)=O)cc1F |r|
Show InChI InChI=1S/C22H28FN9O3S/c1-13(31-5-7-32(8-6-31)36(4,33)34)15-9-17(20-27-14(2)28-22(24)30-20)19(25-11-15)29-16-10-18(23)21(35-3)26-12-16/h9-13H,5-8H2,1-4H3,(H,25,29)(H2,24,27,28,30)/t13-/m1/s1
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1n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal polyHis-tagged PI3K p110gamma expressed in baculovirus infected Hi5 cells using ATP as substrate after 20 mins by spec...


J Med Chem 55: 7796-816 (2012)


Article DOI: 10.1021/jm300846z
BindingDB Entry DOI: 10.7270/Q2028SPT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50357667
PNG
(CHEMBL1914730)
Show SMILES COCCN(C)c1cnc2ccc(cc2n1)-c1cnc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1
Show InChI InChI=1S/C23H21ClFN5O3S/c1-30(9-10-33-2)22-14-26-19-8-3-15(11-20(19)28-22)16-12-21(23(24)27-13-16)29-34(31,32)18-6-4-17(25)5-7-18/h3-8,11-14,29H,9-10H2,1-2H3
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1n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha-mediated Akt phosphorylation at Ser 473 in human U87MG cells


J Med Chem 54: 4735-51 (2011)


Article DOI: 10.1021/jm200386s
BindingDB Entry DOI: 10.7270/Q2FB53C5
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))
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 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))
BDBM50351952
PNG
(CHEMBL1822057)
Show SMILES CC(=O)Nc1cn2cc(ccc2n1)-c1cnc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1
Show InChI InChI=1S/C20H15ClFN5O3S/c1-12(28)24-18-11-27-10-13(2-7-19(27)25-18)14-8-17(20(21)23-9-14)26-31(29,30)16-5-3-15(22)4-6-16/h2-11,26H,1H3,(H,24,28)
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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 using PI(4,5)P2 as substrate after 20 mins by alphascreen assay in presence of 20 uM ATP


J Med Chem 54: 5174-84 (2011)


Article DOI: 10.1021/jm2004442
BindingDB Entry DOI: 10.7270/Q2V12567
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 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))
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 using PI(4,5)P2 as substrate after 20 mins by alphascreen assay in presence of 20 uM ATP


J Med Chem 54: 5174-84 (2011)


Article DOI: 10.1021/jm2004442
BindingDB Entry DOI: 10.7270/Q2V12567
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 PI3Kalpha-mediated Akt phosphorylation at Ser 473 in human U87MG cells


J Med Chem 54: 4735-51 (2011)


Article DOI: 10.1021/jm200386s
BindingDB Entry DOI: 10.7270/Q2FB53C5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50357643
PNG
(CHEMBL1914725)
Show SMILES Fc1ccc(cc1)S(=O)(=O)Nc1cc(cnc1Cl)-c1ccc2nccc(-c3ccccc3)c2c1
Show InChI InChI=1S/C26H17ClFN3O2S/c27-26-25(31-34(32,33)21-9-7-20(28)8-10-21)15-19(16-30-26)18-6-11-24-23(14-18)22(12-13-29-24)17-4-2-1-3-5-17/h1-16,31H
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1.30n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminus polyHis-tagged human recombinant PI3Kalpha expressed in baculovirus infected insect Sf9 cells using phosphoinositol-4,5-bisp...


J Med Chem 54: 4735-51 (2011)


Article DOI: 10.1021/jm200386s
BindingDB Entry DOI: 10.7270/Q2FB53C5
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))
BDBM50351949
PNG
(CHEMBL1822054)
Show SMILES CC(=O)Nc1cn2nc(ccc2n1)-c1cnc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1
Show InChI InChI=1S/C19H14ClFN6O3S/c1-11(28)23-17-10-27-18(24-17)7-6-15(25-27)12-8-16(19(20)22-9-12)26-31(29,30)14-4-2-13(21)3-5-14/h2-10,26H,1H3,(H,23,28)
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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 using PI(4,5)P2 as substrate after 20 mins by alphascreen assay in presence of 20 uM ATP


J Med Chem 54: 5174-84 (2011)


Article DOI: 10.1021/jm2004442
BindingDB Entry DOI: 10.7270/Q2V12567
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50357669
PNG
(CHEMBL1914732)
Show SMILES CN(Cc1ccccc1)c1cnc2ccc(cc2n1)-c1cnc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1
Show InChI InChI=1S/C27H21ClFN5O2S/c1-34(17-18-5-3-2-4-6-18)26-16-30-23-12-7-19(13-24(23)32-26)20-14-25(27(28)31-15-20)33-37(35,36)22-10-8-21(29)9-11-22/h2-16,33H,17H2,1H3
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1.40n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminus polyHis-tagged human recombinant PI3Kalpha expressed in baculovirus infected insect Sf9 cells using phosphoinositol-4,5-bisp...


J Med Chem 54: 4735-51 (2011)


Article DOI: 10.1021/jm200386s
BindingDB Entry DOI: 10.7270/Q2FB53C5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50357640
PNG
(CHEMBL1914741)
Show SMILES COC1CCN(CC1)c1cnc2ccc(cc2n1)-c1cnc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1
Show InChI InChI=1S/C25H23ClFN5O3S/c1-35-19-8-10-32(11-9-19)24-15-28-21-7-2-16(12-22(21)30-24)17-13-23(25(26)29-14-17)31-36(33,34)20-5-3-18(27)4-6-20/h2-7,12-15,19,31H,8-11H2,1H3
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1.40n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha-mediated Akt phosphorylation at Ser 473 in human U87MG cells


J Med Chem 54: 4735-51 (2011)


Article DOI: 10.1021/jm200386s
BindingDB Entry DOI: 10.7270/Q2FB53C5
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 alpha isoform


(Homo sapiens (Human))
BDBM50357647
PNG
(CHEMBL1914737)
Show SMILES CN(C)c1cnc2ccc(cc2n1)-c1cnc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1
Show InChI InChI=1S/C21H17ClFN5O2S/c1-28(2)20-12-24-17-8-3-13(9-18(17)26-20)14-10-19(21(22)25-11-14)27-31(29,30)16-6-4-15(23)5-7-16/h3-12,27H,1-2H3
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1.70n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminus polyHis-tagged human recombinant PI3Kalpha expressed in baculovirus infected insect Sf9 cells using phosphoinositol-4,5-bisp...


J Med Chem 54: 4735-51 (2011)


Article DOI: 10.1021/jm200386s
BindingDB Entry DOI: 10.7270/Q2FB53C5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50357663
PNG
(CHEMBL1914722)
Show SMILES CC(C)N1CCN(CC1)c1ccnc2ccc(cc12)-c1cnc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1
Show InChI InChI=1S/C27H27ClFN5O2S/c1-18(2)33-11-13-34(14-12-33)26-9-10-30-24-8-3-19(15-23(24)26)20-16-25(27(28)31-17-20)32-37(35,36)22-6-4-21(29)5-7-22/h3-10,15-18,32H,11-14H2,1-2H3
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1.80n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha-mediated Akt phosphorylation at Ser 473 in human U87MG cells


J Med Chem 54: 4735-51 (2011)


Article DOI: 10.1021/jm200386s
BindingDB Entry DOI: 10.7270/Q2FB53C5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50357661
PNG
(CHEMBL1914720)
Show SMILES Fc1ccc(cc1)S(=O)(=O)Nc1cc(cnc1Cl)-c1ccc2nccc(N3CCCCC3)c2c1
Show InChI InChI=1S/C25H22ClFN4O2S/c26-25-23(30-34(32,33)20-7-5-19(27)6-8-20)15-18(16-29-25)17-4-9-22-21(14-17)24(10-11-28-22)31-12-2-1-3-13-31/h4-11,14-16,30H,1-3,12-13H2
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1.90n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminus polyHis-tagged human recombinant PI3Kalpha expressed in baculovirus infected insect Sf9 cells using phosphoinositol-4,5-bisp...


J Med Chem 54: 4735-51 (2011)


Article DOI: 10.1021/jm200386s
BindingDB Entry DOI: 10.7270/Q2FB53C5
More data for this
Ligand-Target Pair
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