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PubMed code 31176568

Compile data set for download or QSAR
Found 34 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))
BDBM50502319
PNG
(CHEMBL4515169)
Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1ccc2ncnc(NC3CCN(CC3)C(C)=O)c2c1
Show InChI InChI=1S/C22H26N6O4S/c1-14(29)28-8-6-17(7-9-28)26-21-18-10-15(4-5-19(18)24-13-25-21)16-11-20(27-33(3,30)31)22(32-2)23-12-16/h4-5,10-13,17,27H,6-9H2,1-3H3,(H,24,25,26)
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n/an/a 0.400n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of PI3K alpha (unknown origin) using lipid substrate measured after 40 mins in presence of ATP by Kinase-Glo plus reagent based luminescen...


Bioorg Med Chem 27: (2019)


Article DOI: 10.1016/j.bmc.2019.05.043
BindingDB Entry DOI: 10.7270/Q2833W8M
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50502315
PNG
(CHEMBL4449091)
Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1ccc2ncnc(N[C@H]3CCN(C3)C(C)=O)c2c1 |r|
Show InChI InChI=1S/C21H24N6O4S/c1-13(28)27-7-6-16(11-27)25-20-17-8-14(4-5-18(17)23-12-24-20)15-9-19(26-32(3,29)30)21(31-2)22-10-15/h4-5,8-10,12,16,26H,6-7,11H2,1-3H3,(H,23,24,25)/t16-/m0/s1
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n/an/a 0.5n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of PI3K alpha (unknown origin) using lipid substrate measured after 40 mins in presence of ATP by Kinase-Glo plus reagent based luminescen...


Bioorg Med Chem 27: (2019)


Article DOI: 10.1016/j.bmc.2019.05.043
BindingDB Entry DOI: 10.7270/Q2833W8M
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50502318
PNG
(CHEMBL4542688)
Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1ccc2ncnc(N[C@H]3CCN(C3)C(=O)C3CCOCC3)c2c1 |r|
Show InChI InChI=1S/C25H30N6O5S/c1-35-24-22(30-37(2,33)34)12-18(13-26-24)17-3-4-21-20(11-17)23(28-15-27-21)29-19-5-8-31(14-19)25(32)16-6-9-36-10-7-16/h3-4,11-13,15-16,19,30H,5-10,14H2,1-2H3,(H,27,28,29)/t19-/m0/s1
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n/an/a 0.700n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of PI3K alpha (unknown origin) using lipid substrate measured after 40 mins in presence of ATP by Kinase-Glo plus reagent based luminescen...


Bioorg Med Chem 27: (2019)


Article DOI: 10.1016/j.bmc.2019.05.043
BindingDB Entry DOI: 10.7270/Q2833W8M
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50502321
PNG
(CHEMBL4461362)
Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1ccc2ncnc(NC3CCNCC3)c2c1
Show InChI InChI=1S/C20H24N6O3S/c1-29-20-18(26-30(2,27)28)10-14(11-22-20)13-3-4-17-16(9-13)19(24-12-23-17)25-15-5-7-21-8-6-15/h3-4,9-12,15,21,26H,5-8H2,1-2H3,(H,23,24,25)
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n/an/a 0.900n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of PI3K alpha (unknown origin) using lipid substrate measured after 40 mins in presence of ATP by Kinase-Glo plus reagent based luminescen...


Bioorg Med Chem 27: (2019)


Article DOI: 10.1016/j.bmc.2019.05.043
BindingDB Entry DOI: 10.7270/Q2833W8M
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50502317
PNG
(CHEMBL4471468)
Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1ccc2ncnc(N[C@H]3CCN(C3)C(=O)C3CC3)c2c1 |r|
Show InChI InChI=1S/C23H26N6O4S/c1-33-22-20(28-34(2,31)32)10-16(11-24-22)15-5-6-19-18(9-15)21(26-13-25-19)27-17-7-8-29(12-17)23(30)14-3-4-14/h5-6,9-11,13-14,17,28H,3-4,7-8,12H2,1-2H3,(H,25,26,27)/t17-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of PI3K alpha (unknown origin) using lipid substrate measured after 40 mins in presence of ATP by Kinase-Glo plus reagent based luminescen...


Bioorg Med Chem 27: (2019)


Article DOI: 10.1016/j.bmc.2019.05.043
BindingDB Entry DOI: 10.7270/Q2833W8M
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50502320
PNG
(CHEMBL4552869)
Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1ccc2ncnc(NC3CCN(CC3)C(=O)C3CCOCC3)c2c1
Show InChI InChI=1S/C26H32N6O5S/c1-36-25-23(31-38(2,34)35)14-19(15-27-25)18-3-4-22-21(13-18)24(29-16-28-22)30-20-5-9-32(10-6-20)26(33)17-7-11-37-12-8-17/h3-4,13-17,20,31H,5-12H2,1-2H3,(H,28,29,30)
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n/an/a 2.10n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of PI3K alpha (unknown origin) using lipid substrate measured after 40 mins in presence of ATP by Kinase-Glo plus reagent based luminescen...


Bioorg Med Chem 27: (2019)


Article DOI: 10.1016/j.bmc.2019.05.043
BindingDB Entry DOI: 10.7270/Q2833W8M
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50502311
PNG
(CHEMBL4439145)
Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1ccc2ncnc(NCCN3CCOCC3)c2c1
Show InChI InChI=1S/C21H26N6O4S/c1-30-21-19(26-32(2,28)29)12-16(13-23-21)15-3-4-18-17(11-15)20(25-14-24-18)22-5-6-27-7-9-31-10-8-27/h3-4,11-14,26H,5-10H2,1-2H3,(H,22,24,25)
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Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of PI3K delta (unknown origin) using lipid substrate measured after 40 mins in presence of ATP by Kinase-Glo plus reagent based luminescen...


Bioorg Med Chem 27: (2019)


Article DOI: 10.1016/j.bmc.2019.05.043
BindingDB Entry DOI: 10.7270/Q2833W8M
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50502324
PNG
(CHEMBL4436369)
Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1ccc2ncnc(N[C@H]3CCN(C3)C(=O)C3CCCC3)c2c1 |r|
Show InChI InChI=1S/C25H30N6O4S/c1-35-24-22(30-36(2,33)34)12-18(13-26-24)17-7-8-21-20(11-17)23(28-15-27-21)29-19-9-10-31(14-19)25(32)16-5-3-4-6-16/h7-8,11-13,15-16,19,30H,3-6,9-10,14H2,1-2H3,(H,27,28,29)/t19-/m0/s1
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Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of PI3K alpha (unknown origin) using lipid substrate measured after 40 mins in presence of ATP by Kinase-Glo plus reagent based luminescen...


Bioorg Med Chem 27: (2019)


Article DOI: 10.1016/j.bmc.2019.05.043
BindingDB Entry DOI: 10.7270/Q2833W8M
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50502316
PNG
(CHEMBL4513335)
Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1ccc2ncnc(N[C@H]3CCN(C3)C(=O)C(C)(C)C)c2c1 |r|
Show InChI InChI=1S/C24H30N6O4S/c1-24(2,3)23(31)30-9-8-17(13-30)28-21-18-10-15(6-7-19(18)26-14-27-21)16-11-20(29-35(5,32)33)22(34-4)25-12-16/h6-7,10-12,14,17,29H,8-9,13H2,1-5H3,(H,26,27,28)/t17-/m0/s1
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n/an/a 2.60n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of PI3K alpha (unknown origin) using lipid substrate measured after 40 mins in presence of ATP by Kinase-Glo plus reagent based luminescen...


Bioorg Med Chem 27: (2019)


Article DOI: 10.1016/j.bmc.2019.05.043
BindingDB Entry DOI: 10.7270/Q2833W8M
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50502325
PNG
(CHEMBL4463308)
Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1ccc2ncnc(NC3CCN(CC3)C(=O)C3CCCC3)c2c1
Show InChI InChI=1S/C26H32N6O4S/c1-36-25-23(31-37(2,34)35)14-19(15-27-25)18-7-8-22-21(13-18)24(29-16-28-22)30-20-9-11-32(12-10-20)26(33)17-5-3-4-6-17/h7-8,13-17,20,31H,3-6,9-12H2,1-2H3,(H,28,29,30)
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Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of PI3K alpha (unknown origin) using lipid substrate measured after 40 mins in presence of ATP by Kinase-Glo plus reagent based luminescen...


Bioorg Med Chem 27: (2019)


Article DOI: 10.1016/j.bmc.2019.05.043
BindingDB Entry DOI: 10.7270/Q2833W8M
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50403068
PNG
(CHEMBL2216870 | IDELALISIB | US9745321, CAL-101)
Show SMILES CC[C@H](Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1S/C22H18FN7O/c1-2-15(28-20-18-19(25-11-24-18)26-12-27-20)21-29-16-10-6-9-14(23)17(16)22(31)30(21)13-7-4-3-5-8-13/h3-12,15H,2H2,1H3,(H2,24,25,26,27,28)/t15-/m0/s1
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Article
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n/an/a 3.10n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of PI3K delta (unknown origin) using lipid substrate measured after 40 mins in presence of ATP by Kinase-Glo plus reagent based luminescen...


Bioorg Med Chem 27: (2019)


Article DOI: 10.1016/j.bmc.2019.05.043
BindingDB Entry DOI: 10.7270/Q2833W8M
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50502315
PNG
(CHEMBL4449091)
Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1ccc2ncnc(N[C@H]3CCN(C3)C(C)=O)c2c1 |r|
Show InChI InChI=1S/C21H24N6O4S/c1-13(28)27-7-6-16(11-27)25-20-17-8-14(4-5-18(17)23-12-24-20)15-9-19(26-32(3,29)30)21(31-2)22-10-15/h4-5,8-10,12,16,26H,6-7,11H2,1-3H3,(H,23,24,25)/t16-/m0/s1
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n/an/a 4.30n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of PI3K gamma (unknown origin) using lipid substrate measured after 40 mins in presence of ATP by Kinase-Glo plus reagent based luminescen...


Bioorg Med Chem 27: (2019)


Article DOI: 10.1016/j.bmc.2019.05.043
BindingDB Entry DOI: 10.7270/Q2833W8M
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50502311
PNG
(CHEMBL4439145)
Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1ccc2ncnc(NCCN3CCOCC3)c2c1
Show InChI InChI=1S/C21H26N6O4S/c1-30-21-19(26-32(2,28)29)12-16(13-23-21)15-3-4-18-17(11-15)20(25-14-24-18)22-5-6-27-7-9-31-10-8-27/h3-4,11-14,26H,5-10H2,1-2H3,(H,22,24,25)
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Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of PI3K alpha (unknown origin) using lipid substrate measured after 40 mins in presence of ATP by Kinase-Glo plus reagent based luminescen...


Bioorg Med Chem 27: (2019)


Article DOI: 10.1016/j.bmc.2019.05.043
BindingDB Entry DOI: 10.7270/Q2833W8M
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50502315
PNG
(CHEMBL4449091)
Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1ccc2ncnc(N[C@H]3CCN(C3)C(C)=O)c2c1 |r|
Show InChI InChI=1S/C21H24N6O4S/c1-13(28)27-7-6-16(11-27)25-20-17-8-14(4-5-18(17)23-12-24-20)15-9-19(26-32(3,29)30)21(31-2)22-10-15/h4-5,8-10,12,16,26H,6-7,11H2,1-3H3,(H,23,24,25)/t16-/m0/s1
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Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of PI3K beta (unknown origin) using lipid substrate measured after 40 mins in presence of ATP by Kinase-Glo plus reagent based luminescenc...


Bioorg Med Chem 27: (2019)


Article DOI: 10.1016/j.bmc.2019.05.043
BindingDB Entry DOI: 10.7270/Q2833W8M
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50502323
PNG
(CHEMBL4554487)
Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1ccc2ncnc(N[C@H]3CCN(C3)C(=O)OC(C)(C)C)c2c1 |r|
Show InChI InChI=1S/C24H30N6O5S/c1-24(2,3)35-23(31)30-9-8-17(13-30)28-21-18-10-15(6-7-19(18)26-14-27-21)16-11-20(29-36(5,32)33)22(34-4)25-12-16/h6-7,10-12,14,17,29H,8-9,13H2,1-5H3,(H,26,27,28)/t17-/m0/s1
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Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of PI3K alpha (unknown origin) using lipid substrate measured after 40 mins in presence of ATP by Kinase-Glo plus reagent based luminescen...


Bioorg Med Chem 27: (2019)


Article DOI: 10.1016/j.bmc.2019.05.043
BindingDB Entry DOI: 10.7270/Q2833W8M
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50502318
PNG
(CHEMBL4542688)
Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1ccc2ncnc(N[C@H]3CCN(C3)C(=O)C3CCOCC3)c2c1 |r|
Show InChI InChI=1S/C25H30N6O5S/c1-35-24-22(30-37(2,33)34)12-18(13-26-24)17-3-4-21-20(11-17)23(28-15-27-21)29-19-5-8-31(14-19)25(32)16-6-9-36-10-7-16/h3-4,11-13,15-16,19,30H,5-10,14H2,1-2H3,(H,27,28,29)/t19-/m0/s1
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Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of PI3K beta (unknown origin) using lipid substrate measured after 40 mins in presence of ATP by Kinase-Glo plus reagent based luminescenc...


Bioorg Med Chem 27: (2019)


Article DOI: 10.1016/j.bmc.2019.05.043
BindingDB Entry DOI: 10.7270/Q2833W8M
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50502311
PNG
(CHEMBL4439145)
Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1ccc2ncnc(NCCN3CCOCC3)c2c1
Show InChI InChI=1S/C21H26N6O4S/c1-30-21-19(26-32(2,28)29)12-16(13-23-21)15-3-4-18-17(11-15)20(25-14-24-18)22-5-6-27-7-9-31-10-8-27/h3-4,11-14,26H,5-10H2,1-2H3,(H,22,24,25)
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Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of PI3K gamma (unknown origin) using lipid substrate measured after 40 mins in presence of ATP by Kinase-Glo plus reagent based luminescen...


Bioorg Med Chem 27: (2019)


Article DOI: 10.1016/j.bmc.2019.05.043
BindingDB Entry DOI: 10.7270/Q2833W8M
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50502318
PNG
(CHEMBL4542688)
Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1ccc2ncnc(N[C@H]3CCN(C3)C(=O)C3CCOCC3)c2c1 |r|
Show InChI InChI=1S/C25H30N6O5S/c1-35-24-22(30-37(2,33)34)12-18(13-26-24)17-3-4-21-20(11-17)23(28-15-27-21)29-19-5-8-31(14-19)25(32)16-6-9-36-10-7-16/h3-4,11-13,15-16,19,30H,5-10,14H2,1-2H3,(H,27,28,29)/t19-/m0/s1
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Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of PI3K gamma (unknown origin) using lipid substrate measured after 40 mins in presence of ATP by Kinase-Glo plus reagent based luminescen...


Bioorg Med Chem 27: (2019)


Article DOI: 10.1016/j.bmc.2019.05.043
BindingDB Entry DOI: 10.7270/Q2833W8M
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50502315
PNG
(CHEMBL4449091)
Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1ccc2ncnc(N[C@H]3CCN(C3)C(C)=O)c2c1 |r|
Show InChI InChI=1S/C21H24N6O4S/c1-13(28)27-7-6-16(11-27)25-20-17-8-14(4-5-18(17)23-12-24-20)15-9-19(26-32(3,29)30)21(31-2)22-10-15/h4-5,8-10,12,16,26H,6-7,11H2,1-3H3,(H,23,24,25)/t16-/m0/s1
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Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of PI3K delta (unknown origin) using lipid substrate measured after 40 mins in presence of ATP by Kinase-Glo plus reagent based luminescen...


Bioorg Med Chem 27: (2019)


Article DOI: 10.1016/j.bmc.2019.05.043
BindingDB Entry DOI: 10.7270/Q2833W8M
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50502310
PNG
(CHEMBL4470588)
Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1ccc2ncnc(NC3CCN(CC3)C(=O)OC(C)(C)C)c2c1
Show InChI InChI=1S/C25H32N6O5S/c1-25(2,3)36-24(32)31-10-8-18(9-11-31)29-22-19-12-16(6-7-20(19)27-15-28-22)17-13-21(30-37(5,33)34)23(35-4)26-14-17/h6-7,12-15,18,30H,8-11H2,1-5H3,(H,27,28,29)
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Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of PI3K alpha (unknown origin) using lipid substrate measured after 40 mins in presence of ATP by Kinase-Glo plus reagent based luminescen...


Bioorg Med Chem 27: (2019)


Article DOI: 10.1016/j.bmc.2019.05.043
BindingDB Entry DOI: 10.7270/Q2833W8M
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50502322
PNG
(CHEMBL4227195)
Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1ccc2ncnc(NCCN(C)C)c2c1
Show InChI InChI=1S/C19H24N6O3S/c1-25(2)8-7-20-18-15-9-13(5-6-16(15)22-12-23-18)14-10-17(24-29(4,26)27)19(28-3)21-11-14/h5-6,9-12,24H,7-8H2,1-4H3,(H,20,22,23)
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Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of PI3K alpha (unknown origin) using lipid substrate measured after 40 mins in presence of ATP by Kinase-Glo plus reagent based luminescen...


Bioorg Med Chem 27: (2019)


Article DOI: 10.1016/j.bmc.2019.05.043
BindingDB Entry DOI: 10.7270/Q2833W8M
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50502309
PNG
(CHEMBL4441829)
Show SMILES COc1ncc(cc1NS(=O)(=O)C1CC1)-c1ccc2ncnc(NCCN3CCOCC3)c2c1
Show InChI InChI=1S/C23H28N6O4S/c1-32-23-21(28-34(30,31)18-3-4-18)13-17(14-25-23)16-2-5-20-19(12-16)22(27-15-26-20)24-6-7-29-8-10-33-11-9-29/h2,5,12-15,18,28H,3-4,6-11H2,1H3,(H,24,26,27)
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Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of PI3K alpha (unknown origin) using lipid substrate measured after 40 mins in presence of ATP by Kinase-Glo plus reagent based luminescen...


Bioorg Med Chem 27: (2019)


Article DOI: 10.1016/j.bmc.2019.05.043
BindingDB Entry DOI: 10.7270/Q2833W8M
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50502318
PNG
(CHEMBL4542688)
Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1ccc2ncnc(N[C@H]3CCN(C3)C(=O)C3CCOCC3)c2c1 |r|
Show InChI InChI=1S/C25H30N6O5S/c1-35-24-22(30-37(2,33)34)12-18(13-26-24)17-3-4-21-20(11-17)23(28-15-27-21)29-19-5-8-31(14-19)25(32)16-6-9-36-10-7-16/h3-4,11-13,15-16,19,30H,5-10,14H2,1-2H3,(H,27,28,29)/t19-/m0/s1
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Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of PI3K delta (unknown origin) using lipid substrate measured after 40 mins in presence of ATP by Kinase-Glo plus reagent based luminescen...


Bioorg Med Chem 27: (2019)


Article DOI: 10.1016/j.bmc.2019.05.043
BindingDB Entry DOI: 10.7270/Q2833W8M
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50502312
PNG
(CHEMBL4456355)
Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1ccc2ncnc(N(C)CCN(C)C)c2c1
Show InChI InChI=1S/C20H26N6O3S/c1-25(2)8-9-26(3)19-16-10-14(6-7-17(16)22-13-23-19)15-11-18(24-30(5,27)28)20(29-4)21-12-15/h6-7,10-13,24H,8-9H2,1-5H3
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Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of PI3K alpha (unknown origin) using lipid substrate measured after 40 mins in presence of ATP by Kinase-Glo plus reagent based luminescen...


Bioorg Med Chem 27: (2019)


Article DOI: 10.1016/j.bmc.2019.05.043
BindingDB Entry DOI: 10.7270/Q2833W8M
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50502326
PNG
(CHEMBL4460217)
Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1ccc2ncnc(NCCN3CCCCC3)c2c1
Show InChI InChI=1S/C22H28N6O3S/c1-31-22-20(27-32(2,29)30)13-17(14-24-22)16-6-7-19-18(12-16)21(26-15-25-19)23-8-11-28-9-4-3-5-10-28/h6-7,12-15,27H,3-5,8-11H2,1-2H3,(H,23,25,26)
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n/an/a 12n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of PI3K alpha (unknown origin) using lipid substrate measured after 40 mins in presence of ATP by Kinase-Glo plus reagent based luminescen...


Bioorg Med Chem 27: (2019)


Article DOI: 10.1016/j.bmc.2019.05.043
BindingDB Entry DOI: 10.7270/Q2833W8M
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50502311
PNG
(CHEMBL4439145)
Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1ccc2ncnc(NCCN3CCOCC3)c2c1
Show InChI InChI=1S/C21H26N6O4S/c1-30-21-19(26-32(2,28)29)12-16(13-23-21)15-3-4-18-17(11-15)20(25-14-24-18)22-5-6-27-7-9-31-10-8-27/h3-4,11-14,26H,5-10H2,1-2H3,(H,22,24,25)
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Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of PI3K beta (unknown origin) using lipid substrate measured after 40 mins in presence of ATP by Kinase-Glo plus reagent based luminescenc...


Bioorg Med Chem 27: (2019)


Article DOI: 10.1016/j.bmc.2019.05.043
BindingDB Entry DOI: 10.7270/Q2833W8M
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50502313
PNG
(CHEMBL4526257)
Show SMILES COc1ncc(cc1NS(=O)(=O)C1CC1)-c1ccc2ncnc(NCCN3CCCCC3)c2c1
Show InChI InChI=1S/C24H30N6O3S/c1-33-24-22(29-34(31,32)19-6-7-19)14-18(15-26-24)17-5-8-21-20(13-17)23(28-16-27-21)25-9-12-30-10-3-2-4-11-30/h5,8,13-16,19,29H,2-4,6-7,9-12H2,1H3,(H,25,27,28)
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Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of PI3K alpha (unknown origin) using lipid substrate measured after 40 mins in presence of ATP by Kinase-Glo plus reagent based luminescen...


Bioorg Med Chem 27: (2019)


Article DOI: 10.1016/j.bmc.2019.05.043
BindingDB Entry DOI: 10.7270/Q2833W8M
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50502314
PNG
(CHEMBL4460866)
Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1ccc2nccc(NCCN3CCOCC3)c2c1
Show InChI InChI=1S/C22H27N5O4S/c1-30-22-21(26-32(2,28)29)14-17(15-25-22)16-3-4-19-18(13-16)20(5-6-23-19)24-7-8-27-9-11-31-12-10-27/h3-6,13-15,26H,7-12H2,1-2H3,(H,23,24)
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n/an/a 106n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of PI3K alpha (unknown origin) using lipid substrate measured after 40 mins in presence of ATP by Kinase-Glo plus reagent based luminescen...


Bioorg Med Chem 27: (2019)


Article DOI: 10.1016/j.bmc.2019.05.043
BindingDB Entry DOI: 10.7270/Q2833W8M
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50403068
PNG
(CHEMBL2216870 | IDELALISIB | US9745321, CAL-101)
Show SMILES CC[C@H](Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1S/C22H18FN7O/c1-2-15(28-20-18-19(25-11-24-18)26-12-27-20)21-29-16-10-6-9-14(23)17(16)22(31)30(21)13-7-4-3-5-8-13/h3-12,15H,2H2,1H3,(H2,24,25,26,27,28)/t15-/m0/s1
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Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of PI3K beta (unknown origin) using lipid substrate measured after 40 mins in presence of ATP by Kinase-Glo plus reagent based luminescenc...


Bioorg Med Chem 27: (2019)


Article DOI: 10.1016/j.bmc.2019.05.043
BindingDB Entry DOI: 10.7270/Q2833W8M
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM92862
PNG
(US9284315, BEZ-235 | mTOR Inhibitor, BEZ235)
Show SMILES Cn1c2cnc3ccc(cc3c2n(-c2ccc(cc2)C(C)(C)C#N)c1=O)-c1cnc2ccccc2c1
Show InChI InChI=1S/C30H23N5O/c1-30(2,18-31)22-9-11-23(12-10-22)35-28-24-15-19(21-14-20-6-4-5-7-25(20)32-16-21)8-13-26(24)33-17-27(28)34(3)29(35)36/h4-17H,1-3H3
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n/an/a 169n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of PI3K gamma (unknown origin) using lipid substrate measured after 40 mins in presence of ATP by Kinase-Glo plus reagent based luminescen...


Bioorg Med Chem 27: (2019)


Article DOI: 10.1016/j.bmc.2019.05.043
BindingDB Entry DOI: 10.7270/Q2833W8M
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM92862
PNG
(US9284315, BEZ-235 | mTOR Inhibitor, BEZ235)
Show SMILES Cn1c2cnc3ccc(cc3c2n(-c2ccc(cc2)C(C)(C)C#N)c1=O)-c1cnc2ccccc2c1
Show InChI InChI=1S/C30H23N5O/c1-30(2,18-31)22-9-11-23(12-10-22)35-28-24-15-19(21-14-20-6-4-5-7-25(20)32-16-21)8-13-26(24)33-17-27(28)34(3)29(35)36/h4-17H,1-3H3
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n/an/a 204n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of PI3K delta (unknown origin) using lipid substrate measured after 40 mins in presence of ATP by Kinase-Glo plus reagent based luminescen...


Bioorg Med Chem 27: (2019)


Article DOI: 10.1016/j.bmc.2019.05.043
BindingDB Entry DOI: 10.7270/Q2833W8M
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50403068
PNG
(CHEMBL2216870 | IDELALISIB | US9745321, CAL-101)
Show SMILES CC[C@H](Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1S/C22H18FN7O/c1-2-15(28-20-18-19(25-11-24-18)26-12-27-20)21-29-16-10-6-9-14(23)17(16)22(31)30(21)13-7-4-3-5-8-13/h3-12,15H,2H2,1H3,(H2,24,25,26,27,28)/t15-/m0/s1
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n/an/a 381n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of PI3K gamma (unknown origin) using lipid substrate measured after 40 mins in presence of ATP by Kinase-Glo plus reagent based luminescen...


Bioorg Med Chem 27: (2019)


Article DOI: 10.1016/j.bmc.2019.05.043
BindingDB Entry DOI: 10.7270/Q2833W8M
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM92862
PNG
(US9284315, BEZ-235 | mTOR Inhibitor, BEZ235)
Show SMILES Cn1c2cnc3ccc(cc3c2n(-c2ccc(cc2)C(C)(C)C#N)c1=O)-c1cnc2ccccc2c1
Show InChI InChI=1S/C30H23N5O/c1-30(2,18-31)22-9-11-23(12-10-22)35-28-24-15-19(21-14-20-6-4-5-7-25(20)32-16-21)8-13-26(24)33-17-27(28)34(3)29(35)36/h4-17H,1-3H3
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n/an/a 421n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of PI3K beta (unknown origin) using lipid substrate measured after 40 mins in presence of ATP by Kinase-Glo plus reagent based luminescenc...


Bioorg Med Chem 27: (2019)


Article DOI: 10.1016/j.bmc.2019.05.043
BindingDB Entry DOI: 10.7270/Q2833W8M
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50403068
PNG
(CHEMBL2216870 | IDELALISIB | US9745321, CAL-101)
Show SMILES CC[C@H](Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1S/C22H18FN7O/c1-2-15(28-20-18-19(25-11-24-18)26-12-27-20)21-29-16-10-6-9-14(23)17(16)22(31)30(21)13-7-4-3-5-8-13/h3-12,15H,2H2,1H3,(H2,24,25,26,27,28)/t15-/m0/s1
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Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of PI3K alpha (unknown origin) using lipid substrate measured after 40 mins in presence of ATP by Kinase-Glo plus reagent based luminescen...


Bioorg Med Chem 27: (2019)


Article DOI: 10.1016/j.bmc.2019.05.043
BindingDB Entry DOI: 10.7270/Q2833W8M
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%