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Compile Data Set for Download or QSAR

Found 45 hits Enz. Inhib. hit(s) with all data for entry = 50008698   
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 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50521354
PNG
(CHEMBL4453364)
Show SMILES C[C@H](Nc1ncnc(N)c1C#N)C1=Nc2cccc(Cl)c2S(=O)(=O)N1c1ccccc1 |r,t:13|
Show InChI InChI=1S/C20H16ClN7O2S/c1-12(26-19-14(10-22)18(23)24-11-25-19)20-27-16-9-5-8-15(21)17(16)31(29,30)28(20)13-6-3-2-4-7-13/h2-9,11-12H,1H3,(H3,23,24,25,26)/t12-/m0/s1
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n/an/a<0.320n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged recombinant human PI3K p110delta/p85alpha using lipid substrate incubated for 2 hrs by ADP-Glo assay


Eur J Med Chem 170: 112-125 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.005
BindingDB Entry DOI: 10.7270/Q2RF5ZF7
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/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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n/an/a 1.80n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged recombinant human PI3K p110delta/p85alpha using lipid substrate incubated for 2 hrs by ADP-Glo assay


Eur J Med Chem 170: 112-125 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.005
BindingDB Entry DOI: 10.7270/Q2RF5ZF7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50521348
PNG
(CHEMBL4471679)
Show SMILES CC(Nc1ncnc(N)c1C#N)C1=Nc2cccc(Cl)c2S(=O)(=O)N1c1ccccc1 |t:13|
Show InChI InChI=1S/C20H16ClN7O2S/c1-12(26-19-14(10-22)18(23)24-11-25-19)20-27-16-9-5-8-15(21)17(16)31(29,30)28(20)13-6-3-2-4-7-13/h2-9,11-12H,1H3,(H3,23,24,25,26)
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n/an/a 3.20n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged recombinant human PI3K p110delta/p85alpha using lipid substrate incubated for 2 hrs by ADP-Glo assay


Eur J Med Chem 170: 112-125 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.005
BindingDB Entry DOI: 10.7270/Q2RF5ZF7
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50512880
PNG
(CHEMBL4468379)
Show SMILES C[C@H](Nc1ncnc2[nH]cnc12)C1=Nc2cccc(Cl)c2S(=O)(=O)N1c1ccccc1 |r,t:14|
Show InChI InChI=1S/C20H16ClN7O2S/c1-12(26-19-16-18(23-10-22-16)24-11-25-19)20-27-15-9-5-8-14(21)17(15)31(29,30)28(20)13-6-3-2-4-7-13/h2-12H,1H3,(H2,22,23,24,25,26)/t12-/m0/s1
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n/an/a 4.60n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged recombinant human PI3K p110delta/p85alpha using lipid substrate incubated for 2 hrs by ADP-Glo assay


Eur J Med Chem 170: 112-125 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.005
BindingDB Entry DOI: 10.7270/Q2RF5ZF7
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50521353
PNG
(CHEMBL4471020)
Show SMILES C[C@@H](Nc1ncnc(N)c1C#N)C1=Nc2cccc(Cl)c2S(=O)(=O)N1c1ccccc1 |r,t:13|
Show InChI InChI=1S/C20H16ClN7O2S/c1-12(26-19-14(10-22)18(23)24-11-25-19)20-27-16-9-5-8-15(21)17(16)31(29,30)28(20)13-6-3-2-4-7-13/h2-9,11-12H,1H3,(H3,23,24,25,26)/t12-/m1/s1
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n/an/a 7n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged recombinant human PI3K p110delta/p85alpha using lipid substrate incubated for 2 hrs by ADP-Glo assay


Eur J Med Chem 170: 112-125 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.005
BindingDB Entry DOI: 10.7270/Q2RF5ZF7
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50521362
PNG
(CHEMBL4557623)
Show SMILES CC(Nc1ncnc2[nH]cnc12)C1=Nc2cccc(Cl)c2S(=O)(=O)N1c1ccccc1 |t:14|
Show InChI InChI=1S/C20H16ClN7O2S/c1-12(26-19-16-18(23-10-22-16)24-11-25-19)20-27-15-9-5-8-14(21)17(15)31(29,30)28(20)13-6-3-2-4-7-13/h2-12H,1H3,(H2,22,23,24,25,26)
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n/an/a 9.80n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged recombinant human PI3K p110delta/p85alpha using lipid substrate incubated for 2 hrs by ADP-Glo assay


Eur J Med Chem 170: 112-125 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.005
BindingDB Entry DOI: 10.7270/Q2RF5ZF7
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50521349
PNG
(CHEMBL4465593)
Show SMILES CCC(Nc1ncnc(N)c1C#N)C1=Nc2cccc(Cl)c2S(=O)(=O)N1c1ccccc1 |t:14|
Show InChI InChI=1S/C21H18ClN7O2S/c1-2-16(27-20-14(11-23)19(24)25-12-26-20)21-28-17-10-6-9-15(22)18(17)32(30,31)29(21)13-7-4-3-5-8-13/h3-10,12,16H,2H2,1H3,(H3,24,25,26,27)
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n/an/a 12n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged recombinant human PI3K p110delta/p85alpha using lipid substrate incubated for 2 hrs by ADP-Glo assay


Eur J Med Chem 170: 112-125 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.005
BindingDB Entry DOI: 10.7270/Q2RF5ZF7
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM25045
PNG
(3-(4-morpholin-4-ylpyrido[2,3]furo[2,4-b]pyrimidin...)
Show SMILES Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1
Show InChI InChI=1S/C19H16N4O3/c24-13-4-1-3-12(11-13)17-21-15-14-5-2-6-20-19(14)26-16(15)18(22-17)23-7-9-25-10-8-23/h1-6,11,24H,7-10H2
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n/an/a 14n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged recombinant human PI3K p110delta/p85alpha using lipid substrate incubated for 2 hrs by ADP-Glo assay


Eur J Med Chem 170: 112-125 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.005
BindingDB Entry DOI: 10.7270/Q2RF5ZF7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50521355
PNG
(CHEMBL4533033)
Show SMILES CC(Nc1ncnc(N)c1C#N)C1=Nc2ccccc2S(=O)(=O)N1c1ccccc1 |t:13|
Show InChI InChI=1S/C20H17N7O2S/c1-13(25-19-15(11-21)18(22)23-12-24-19)20-26-16-9-5-6-10-17(16)30(28,29)27(20)14-7-3-2-4-8-14/h2-10,12-13H,1H3,(H3,22,23,24,25)
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n/an/a 15n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged recombinant human PI3K p110delta/p85alpha using lipid substrate incubated for 2 hrs by ADP-Glo assay


Eur J Med Chem 170: 112-125 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.005
BindingDB Entry DOI: 10.7270/Q2RF5ZF7
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50521360
PNG
(CHEMBL4438104)
Show SMILES CC(Nc1ncnc(N)c1C#N)C1=Nc2cccc(F)c2S(=O)(=O)N1c1ccccc1 |t:13|
Show InChI InChI=1S/C20H16FN7O2S/c1-12(26-19-14(10-22)18(23)24-11-25-19)20-27-16-9-5-8-15(21)17(16)31(29,30)28(20)13-6-3-2-4-7-13/h2-9,11-12H,1H3,(H3,23,24,25,26)
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n/an/a 35n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged recombinant human PI3K p110delta/p85alpha using lipid substrate incubated for 2 hrs by ADP-Glo assay


Eur J Med Chem 170: 112-125 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.005
BindingDB Entry DOI: 10.7270/Q2RF5ZF7
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50521352
PNG
(CHEMBL4457627)
Show SMILES CC(C1=Nc2cccc(F)c2S(=O)(=O)N1c1ccccc1)n1cnc2c(N)ncnc12 |t:2|
Show InChI InChI=1S/C20H16FN7O2S/c1-12(27-11-25-16-18(22)23-10-24-20(16)27)19-26-15-9-5-8-14(21)17(15)31(29,30)28(19)13-6-3-2-4-7-13/h2-12H,1H3,(H2,22,23,24)
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n/an/a 54n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged recombinant human PI3K p110delta/p85alpha using lipid substrate incubated for 2 hrs by ADP-Glo assay


Eur J Med Chem 170: 112-125 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.005
BindingDB Entry DOI: 10.7270/Q2RF5ZF7
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50521354
PNG
(CHEMBL4453364)
Show SMILES C[C@H](Nc1ncnc(N)c1C#N)C1=Nc2cccc(Cl)c2S(=O)(=O)N1c1ccccc1 |r,t:13|
Show InChI InChI=1S/C20H16ClN7O2S/c1-12(26-19-14(10-22)18(23)24-11-25-19)20-27-16-9-5-8-15(21)17(16)31(29,30)28(20)13-6-3-2-4-7-13/h2-9,11-12H,1H3,(H3,23,24,25,26)/t12-/m0/s1
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n/an/a 55n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged recombinant full length human N-terminal PI3Kbeta expressed in baculovirus infected Sf21 cells using lipid substrate incuba...


Eur J Med Chem 170: 112-125 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.005
BindingDB Entry DOI: 10.7270/Q2RF5ZF7
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50521340
PNG
(CHEMBL4520088)
Show SMILES C[C@@H](Nc1ncnc2[nH]cnc12)C1=Nc2cccc(Cl)c2S(=O)(=O)N1c1ccccc1 |r,t:14|
Show InChI InChI=1S/C20H16ClN7O2S/c1-12(26-19-16-18(23-10-22-16)24-11-25-19)20-27-15-9-5-8-14(21)17(15)31(29,30)28(20)13-6-3-2-4-7-13/h2-12H,1H3,(H2,22,23,24,25,26)/t12-/m1/s1
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n/an/a 62n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged recombinant human PI3K p110delta/p85alpha using lipid substrate incubated for 2 hrs by ADP-Glo assay


Eur J Med Chem 170: 112-125 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.005
BindingDB Entry DOI: 10.7270/Q2RF5ZF7
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 63n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged recombinant human full length PI3K p110gamma expressed in baculovirus expression system using lipid substrate incubated for ...


Eur J Med Chem 170: 112-125 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.005
BindingDB Entry DOI: 10.7270/Q2RF5ZF7
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50521350
PNG
(CHEMBL4513312)
Show SMILES CC(C1=Nc2ccccc2S(=O)(=O)N1c1ccccc1)n1cnc2c(N)ncnc12 |t:2|
Show InChI InChI=1S/C20H17N7O2S/c1-13(26-12-24-17-18(21)22-11-23-20(17)26)19-25-15-9-5-6-10-16(15)30(28,29)27(19)14-7-3-2-4-8-14/h2-13H,1H3,(H2,21,22,23)
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n/an/a 68n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged recombinant human PI3K p110delta/p85alpha using lipid substrate incubated for 2 hrs by ADP-Glo assay


Eur J Med Chem 170: 112-125 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.005
BindingDB Entry DOI: 10.7270/Q2RF5ZF7
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50521345
PNG
(CHEMBL4467198)
Show SMILES CCC(Nc1ncnc2[nH]cnc12)C1=Nc2cccc(Cl)c2S(=O)(=O)N1c1ccccc1 |t:15|
Show InChI InChI=1S/C21H18ClN7O2S/c1-2-15(27-20-17-19(24-11-23-17)25-12-26-20)21-28-16-10-6-9-14(22)18(16)32(30,31)29(21)13-7-4-3-5-8-13/h3-12,15H,2H2,1H3,(H2,23,24,25,26,27)
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n/an/a 81n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged recombinant human PI3K p110delta/p85alpha using lipid substrate incubated for 2 hrs by ADP-Glo assay


Eur J Med Chem 170: 112-125 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.005
BindingDB Entry DOI: 10.7270/Q2RF5ZF7
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50521346
PNG
(CHEMBL4475921)
Show SMILES CC(Nc1nc(F)nc2[nH]cnc12)C1=Nc2ccccc2S(=O)(=O)N1c1ccccc1 |t:15|
Show InChI InChI=1S/C20H16FN7O2S/c1-12(24-18-16-17(23-11-22-16)26-20(21)27-18)19-25-14-9-5-6-10-15(14)31(29,30)28(19)13-7-3-2-4-8-13/h2-12H,1H3,(H2,22,23,24,26,27)
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n/an/a 92n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged recombinant human PI3K p110delta/p85alpha using lipid substrate incubated for 2 hrs by ADP-Glo assay


Eur J Med Chem 170: 112-125 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.005
BindingDB Entry DOI: 10.7270/Q2RF5ZF7
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50521354
PNG
(CHEMBL4453364)
Show SMILES C[C@H](Nc1ncnc(N)c1C#N)C1=Nc2cccc(Cl)c2S(=O)(=O)N1c1ccccc1 |r,t:13|
Show InChI InChI=1S/C20H16ClN7O2S/c1-12(26-19-14(10-22)18(23)24-11-25-19)20-27-16-9-5-8-15(21)17(16)31(29,30)28(20)13-6-3-2-4-7-13/h2-9,11-12H,1H3,(H3,23,24,25,26)/t12-/m0/s1
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n/an/a 100n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged recombinant human full length PI3K p110gamma expressed in baculovirus expression system using lipid substrate incubated for ...


Eur J Med Chem 170: 112-125 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.005
BindingDB Entry DOI: 10.7270/Q2RF5ZF7
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50521353
PNG
(CHEMBL4471020)
Show SMILES C[C@@H](Nc1ncnc(N)c1C#N)C1=Nc2cccc(Cl)c2S(=O)(=O)N1c1ccccc1 |r,t:13|
Show InChI InChI=1S/C20H16ClN7O2S/c1-12(26-19-14(10-22)18(23)24-11-25-19)20-27-16-9-5-8-15(21)17(16)31(29,30)28(20)13-6-3-2-4-7-13/h2-9,11-12H,1H3,(H3,23,24,25,26)/t12-/m1/s1
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n/an/a 112n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged recombinant human full length PI3K p110gamma expressed in baculovirus expression system using lipid substrate incubated for ...


Eur J Med Chem 170: 112-125 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.005
BindingDB Entry DOI: 10.7270/Q2RF5ZF7
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50521339
PNG
(CHEMBL4550989)
Show SMILES CCC(Nc1ncnc(N)c1C#N)C1=Nc2cccc(F)c2S(=O)(=O)N1c1ccccc1 |t:14|
Show InChI InChI=1S/C21H18FN7O2S/c1-2-16(27-20-14(11-23)19(24)25-12-26-20)21-28-17-10-6-9-15(22)18(17)32(30,31)29(21)13-7-4-3-5-8-13/h3-10,12,16H,2H2,1H3,(H3,24,25,26,27)
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n/an/a 141n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged recombinant human PI3K p110delta/p85alpha using lipid substrate incubated for 2 hrs by ADP-Glo assay


Eur J Med Chem 170: 112-125 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.005
BindingDB Entry DOI: 10.7270/Q2RF5ZF7
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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n/an/a 154n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged recombinant full length human N-terminal PI3Kbeta expressed in baculovirus infected Sf21 cells using lipid substrate incuba...


Eur J Med Chem 170: 112-125 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.005
BindingDB Entry DOI: 10.7270/Q2RF5ZF7
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50512880
PNG
(CHEMBL4468379)
Show SMILES C[C@H](Nc1ncnc2[nH]cnc12)C1=Nc2cccc(Cl)c2S(=O)(=O)N1c1ccccc1 |r,t:14|
Show InChI InChI=1S/C20H16ClN7O2S/c1-12(26-19-16-18(23-10-22-16)24-11-25-19)20-27-15-9-5-8-14(21)17(15)31(29,30)28(20)13-6-3-2-4-7-13/h2-12H,1H3,(H2,22,23,24,25,26)/t12-/m0/s1
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n/an/a 156n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged recombinant human full length PI3K p110gamma expressed in baculovirus expression system using lipid substrate incubated for ...


Eur J Med Chem 170: 112-125 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.005
BindingDB Entry DOI: 10.7270/Q2RF5ZF7
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50521353
PNG
(CHEMBL4471020)
Show SMILES C[C@@H](Nc1ncnc(N)c1C#N)C1=Nc2cccc(Cl)c2S(=O)(=O)N1c1ccccc1 |r,t:13|
Show InChI InChI=1S/C20H16ClN7O2S/c1-12(26-19-14(10-22)18(23)24-11-25-19)20-27-16-9-5-8-15(21)17(16)31(29,30)28(20)13-6-3-2-4-7-13/h2-9,11-12H,1H3,(H3,23,24,25,26)/t12-/m1/s1
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n/an/a 169n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged recombinant full length human N-terminal PI3Kbeta expressed in baculovirus infected Sf21 cells using lipid substrate incuba...


Eur J Med Chem 170: 112-125 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.005
BindingDB Entry DOI: 10.7270/Q2RF5ZF7
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50521341
PNG
(CHEMBL4441846)
Show SMILES CC(Nc1ncnc2[nH]cnc12)C1=Nc2ccccc2S(=O)(=O)N1c1ccccc1 |t:14|
Show InChI InChI=1S/C20H17N7O2S/c1-13(25-19-17-18(22-11-21-17)23-12-24-19)20-26-15-9-5-6-10-16(15)30(28,29)27(20)14-7-3-2-4-8-14/h2-13H,1H3,(H2,21,22,23,24,25)
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n/an/a 344n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged recombinant human PI3K p110delta/p85alpha using lipid substrate incubated for 2 hrs by ADP-Glo assay


Eur J Med Chem 170: 112-125 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.005
BindingDB Entry DOI: 10.7270/Q2RF5ZF7
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50521347
PNG
(CHEMBL4439236)
Show SMILES CCC(Nc1nc(F)nc2[nH]cnc12)C1=Nc2cccc(F)c2S(=O)(=O)N1c1ccccc1 |t:16|
Show InChI InChI=1S/C21H17F2N7O2S/c1-2-14(26-19-16-18(25-11-24-16)28-21(23)29-19)20-27-15-10-6-9-13(22)17(15)33(31,32)30(20)12-7-4-3-5-8-12/h3-11,14H,2H2,1H3,(H2,24,25,26,28,29)
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n/an/a 383n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged recombinant human PI3K p110delta/p85alpha using lipid substrate incubated for 2 hrs by ADP-Glo assay


Eur J Med Chem 170: 112-125 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.005
BindingDB Entry DOI: 10.7270/Q2RF5ZF7
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50521351
PNG
(CHEMBL4476052)
Show SMILES CC(C1=Nc2ccccc2S(=O)(=O)N1c1cccnc1)n1cnc2c(N)ncnc12 |t:2|
Show InChI InChI=1S/C19H16N8O2S/c1-12(26-11-24-16-17(20)22-10-23-19(16)26)18-25-14-6-2-3-7-15(14)30(28,29)27(18)13-5-4-8-21-9-13/h2-12H,1H3,(H2,20,22,23)
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n/an/a 623n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged recombinant human PI3K p110delta/p85alpha using lipid substrate incubated for 2 hrs by ADP-Glo assay


Eur J Med Chem 170: 112-125 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.005
BindingDB Entry DOI: 10.7270/Q2RF5ZF7
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50521363
PNG
(CHEMBL4543408)
Show SMILES CC(C1=Nc2ccccc2S(=O)(=O)N1c1ccc(F)cc1)n1cnc2c(N)ncnc12 |t:2|
Show InChI InChI=1S/C20H16FN7O2S/c1-12(27-11-25-17-18(22)23-10-24-20(17)27)19-26-15-4-2-3-5-16(15)31(29,30)28(19)14-8-6-13(21)7-9-14/h2-12H,1H3,(H2,22,23,24)
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n/an/a 628n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged recombinant human PI3K p110delta/p85alpha using lipid substrate incubated for 2 hrs by ADP-Glo assay


Eur J Med Chem 170: 112-125 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.005
BindingDB Entry DOI: 10.7270/Q2RF5ZF7
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50512880
PNG
(CHEMBL4468379)
Show SMILES C[C@H](Nc1ncnc2[nH]cnc12)C1=Nc2cccc(Cl)c2S(=O)(=O)N1c1ccccc1 |r,t:14|
Show InChI InChI=1S/C20H16ClN7O2S/c1-12(26-19-16-18(23-10-22-16)24-11-25-19)20-27-15-9-5-8-14(21)17(15)31(29,30)28(20)13-6-3-2-4-7-13/h2-12H,1H3,(H2,22,23,24,25,26)/t12-/m0/s1
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n/an/a 766n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged recombinant full length human N-terminal PI3Kbeta expressed in baculovirus infected Sf21 cells using lipid substrate incuba...


Eur J Med Chem 170: 112-125 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.005
BindingDB Entry DOI: 10.7270/Q2RF5ZF7
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50521364
PNG
(CHEMBL4560275)
Show SMILES CC(Nc1ncnc2[nH]cnc12)C1=Nc2ccccc2S(=O)(=O)N1c1cccnc1 |t:14|
Show InChI InChI=1S/C19H16N8O2S/c1-12(25-18-16-17(22-10-21-16)23-11-24-18)19-26-14-6-2-3-7-15(14)30(28,29)27(19)13-5-4-8-20-9-13/h2-12H,1H3,(H2,21,22,23,24,25)
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n/an/a 921n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged recombinant human PI3K p110delta/p85alpha using lipid substrate incubated for 2 hrs by ADP-Glo assay


Eur J Med Chem 170: 112-125 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.005
BindingDB Entry DOI: 10.7270/Q2RF5ZF7
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50521354
PNG
(CHEMBL4453364)
Show SMILES C[C@H](Nc1ncnc(N)c1C#N)C1=Nc2cccc(Cl)c2S(=O)(=O)N1c1ccccc1 |r,t:13|
Show InChI InChI=1S/C20H16ClN7O2S/c1-12(26-19-14(10-22)18(23)24-11-25-19)20-27-16-9-5-8-15(21)17(16)31(29,30)28(20)13-6-3-2-4-7-13/h2-9,11-12H,1H3,(H3,23,24,25,26)/t12-/m0/s1
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n/an/a 996n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged recombinant human full length PI3K p110alpha/p85alpha expressed in baculovirus expression system using lipid substrate incub...


Eur J Med Chem 170: 112-125 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.005
BindingDB Entry DOI: 10.7270/Q2RF5ZF7
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50521359
PNG
(CHEMBL4537510)
Show SMILES CC(Nc1nc(Cl)nc2[nH]cnc12)C1=Nc2ccccc2S(=O)(=O)N1c1ccccc1 |t:15|
Show InChI InChI=1S/C20H16ClN7O2S/c1-12(24-18-16-17(23-11-22-16)26-20(21)27-18)19-25-14-9-5-6-10-15(14)31(29,30)28(19)13-7-3-2-4-8-13/h2-12H,1H3,(H2,22,23,24,26,27)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged recombinant human PI3K p110delta/p85alpha using lipid substrate incubated for 2 hrs by ADP-Glo assay


Eur J Med Chem 170: 112-125 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.005
BindingDB Entry DOI: 10.7270/Q2RF5ZF7
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50521340
PNG
(CHEMBL4520088)
Show SMILES C[C@@H](Nc1ncnc2[nH]cnc12)C1=Nc2cccc(Cl)c2S(=O)(=O)N1c1ccccc1 |r,t:14|
Show InChI InChI=1S/C20H16ClN7O2S/c1-12(26-19-16-18(23-10-22-16)24-11-25-19)20-27-15-9-5-8-14(21)17(15)31(29,30)28(20)13-6-3-2-4-7-13/h2-12H,1H3,(H2,22,23,24,25,26)/t12-/m1/s1
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n/an/a 1.91E+3n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged recombinant human full length PI3K p110gamma expressed in baculovirus expression system using lipid substrate incubated for ...


Eur J Med Chem 170: 112-125 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.005
BindingDB Entry DOI: 10.7270/Q2RF5ZF7
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50521357
PNG
(CHEMBL4451945)
Show SMILES CC(Nc1ncnc2[nH]cnc12)C1=Nc2ccccc2S(=O)(=O)N1c1ccc(F)cc1 |t:14|
Show InChI InChI=1S/C20H16FN7O2S/c1-12(26-19-17-18(23-10-22-17)24-11-25-19)20-27-15-4-2-3-5-16(15)31(29,30)28(20)14-8-6-13(21)7-9-14/h2-12H,1H3,(H2,22,23,24,25,26)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged recombinant human PI3K p110delta/p85alpha using lipid substrate incubated for 2 hrs by ADP-Glo assay


Eur J Med Chem 170: 112-125 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.005
BindingDB Entry DOI: 10.7270/Q2RF5ZF7
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/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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n/an/a 2.16E+3n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged recombinant human full length PI3K p110alpha/p85alpha expressed in baculovirus expression system using lipid substrate incub...


Eur J Med Chem 170: 112-125 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.005
BindingDB Entry DOI: 10.7270/Q2RF5ZF7
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50521342
PNG
(CHEMBL4539820)
Show SMILES CC(Nc1ncnc2[nH]cnc12)C1=Nc2ccccc2S(=O)(=O)N1c1cccc(c1)C(F)(F)F |t:14|
Show InChI InChI=1S/C21H16F3N7O2S/c1-12(29-19-17-18(26-10-25-17)27-11-28-19)20-30-15-7-2-3-8-16(15)34(32,33)31(20)14-6-4-5-13(9-14)21(22,23)24/h2-12H,1H3,(H2,25,26,27,28,29)
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n/an/a>3.00E+3n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged recombinant human PI3K p110delta/p85alpha using lipid substrate incubated for 2 hrs by ADP-Glo assay


Eur J Med Chem 170: 112-125 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.005
BindingDB Entry DOI: 10.7270/Q2RF5ZF7
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50521338
PNG
(CHEMBL4441934)
Show SMILES CCC(Nc1ncnc2[nH]cnc12)C1=Nc2ccccc2S(=O)(=O)N1c1ccc(OC)c(OC)c1 |t:15|
Show InChI InChI=1S/C23H23N7O4S/c1-4-15(28-22-20-21(25-12-24-20)26-13-27-22)23-29-16-7-5-6-8-19(16)35(31,32)30(23)14-9-10-17(33-2)18(11-14)34-3/h5-13,15H,4H2,1-3H3,(H2,24,25,26,27,28)
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n/an/a>3.00E+3n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged recombinant human PI3K p110delta/p85alpha using lipid substrate incubated for 2 hrs by ADP-Glo assay


Eur J Med Chem 170: 112-125 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.005
BindingDB Entry DOI: 10.7270/Q2RF5ZF7
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50521343
PNG
(CHEMBL4444852)
Show SMILES CCC(Nc1ncnc2[nH]cnc12)C1=Nc2ccccc2S(=O)(=O)N1c1cccc(c1)C(F)(F)F |t:15|
Show InChI InChI=1S/C22H18F3N7O2S/c1-2-15(30-20-18-19(27-11-26-18)28-12-29-20)21-31-16-8-3-4-9-17(16)35(33,34)32(21)14-7-5-6-13(10-14)22(23,24)25/h3-12,15H,2H2,1H3,(H2,26,27,28,29,30)
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n/an/a>3.00E+3n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged recombinant human PI3K p110delta/p85alpha using lipid substrate incubated for 2 hrs by ADP-Glo assay


Eur J Med Chem 170: 112-125 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.005
BindingDB Entry DOI: 10.7270/Q2RF5ZF7
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50521356
PNG
(CHEMBL4572206)
Show SMILES CCC(C1=Nc2ccccc2S(=O)(=O)N1c1ccc(F)cc1)n1cnc2c(N)ncnc12 |t:3|
Show InChI InChI=1S/C21H18FN7O2S/c1-2-16(28-12-26-18-19(23)24-11-25-21(18)28)20-27-15-5-3-4-6-17(15)32(30,31)29(20)14-9-7-13(22)8-10-14/h3-12,16H,2H2,1H3,(H2,23,24,25)
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n/an/a>3.00E+3n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged recombinant human PI3K p110delta/p85alpha using lipid substrate incubated for 2 hrs by ADP-Glo assay


Eur J Med Chem 170: 112-125 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.005
BindingDB Entry DOI: 10.7270/Q2RF5ZF7
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50521361
PNG
(CHEMBL4465857)
Show SMILES CCC(C1=Nc2ccccc2S(=O)(=O)N1c1ccc(OC(F)(F)F)cc1)n1cnc2c(N)ncnc12 |t:3|
Show InChI InChI=1S/C22H18F3N7O3S/c1-2-16(31-12-29-18-19(26)27-11-28-21(18)31)20-30-15-5-3-4-6-17(15)36(33,34)32(20)13-7-9-14(10-8-13)35-22(23,24)25/h3-12,16H,2H2,1H3,(H2,26,27,28)
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n/an/a>3.00E+3n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged recombinant human PI3K p110delta/p85alpha using lipid substrate incubated for 2 hrs by ADP-Glo assay


Eur J Med Chem 170: 112-125 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.005
BindingDB Entry DOI: 10.7270/Q2RF5ZF7
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50521358
PNG
(CHEMBL4569683)
Show SMILES CCC(Nc1ncnc2[nH]cnc12)C1=Nc2ccccc2S(=O)(=O)N1c1ccc(OC(F)(F)F)cc1 |t:15|
Show InChI InChI=1S/C22H18F3N7O3S/c1-2-15(30-20-18-19(27-11-26-18)28-12-29-20)21-31-16-5-3-4-6-17(16)36(33,34)32(21)13-7-9-14(10-8-13)35-22(23,24)25/h3-12,15H,2H2,1H3,(H2,26,27,28,29,30)
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n/an/a>3.00E+3n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged recombinant human PI3K p110delta/p85alpha using lipid substrate incubated for 2 hrs by ADP-Glo assay


Eur J Med Chem 170: 112-125 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.005
BindingDB Entry DOI: 10.7270/Q2RF5ZF7
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50521344
PNG
(CHEMBL4455854)
Show SMILES CCC(Nc1ncnc2[nH]cnc12)C1=Nc2cccc(F)c2S(=O)(=O)N1c1ccccc1 |t:15|
Show InChI InChI=1S/C21H18FN7O2S/c1-2-15(27-20-17-19(24-11-23-17)25-12-26-20)21-28-16-10-6-9-14(22)18(16)32(30,31)29(21)13-7-4-3-5-8-13/h3-12,15H,2H2,1H3,(H2,23,24,25,26,27)
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n/an/a>3.00E+3n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged recombinant human PI3K p110delta/p85alpha using lipid substrate incubated for 2 hrs by ADP-Glo assay


Eur J Med Chem 170: 112-125 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.005
BindingDB Entry DOI: 10.7270/Q2RF5ZF7
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50512880
PNG
(CHEMBL4468379)
Show SMILES C[C@H](Nc1ncnc2[nH]cnc12)C1=Nc2cccc(Cl)c2S(=O)(=O)N1c1ccccc1 |r,t:14|
Show InChI InChI=1S/C20H16ClN7O2S/c1-12(26-19-16-18(23-10-22-16)24-11-25-19)20-27-15-9-5-8-14(21)17(15)31(29,30)28(20)13-6-3-2-4-7-13/h2-12H,1H3,(H2,22,23,24,25,26)/t12-/m0/s1
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n/an/a 3.64E+3n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged recombinant human full length PI3K p110alpha/p85alpha expressed in baculovirus expression system using lipid substrate incub...


Eur J Med Chem 170: 112-125 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.005
BindingDB Entry DOI: 10.7270/Q2RF5ZF7
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50521340
PNG
(CHEMBL4520088)
Show SMILES C[C@@H](Nc1ncnc2[nH]cnc12)C1=Nc2cccc(Cl)c2S(=O)(=O)N1c1ccccc1 |r,t:14|
Show InChI InChI=1S/C20H16ClN7O2S/c1-12(26-19-16-18(23-10-22-16)24-11-25-19)20-27-15-9-5-8-14(21)17(15)31(29,30)28(20)13-6-3-2-4-7-13/h2-12H,1H3,(H2,22,23,24,25,26)/t12-/m1/s1
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n/an/a 3.99E+3n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged recombinant full length human N-terminal PI3Kbeta expressed in baculovirus infected Sf21 cells using lipid substrate incuba...


Eur J Med Chem 170: 112-125 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.005
BindingDB Entry DOI: 10.7270/Q2RF5ZF7
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50521340
PNG
(CHEMBL4520088)
Show SMILES C[C@@H](Nc1ncnc2[nH]cnc12)C1=Nc2cccc(Cl)c2S(=O)(=O)N1c1ccccc1 |r,t:14|
Show InChI InChI=1S/C20H16ClN7O2S/c1-12(26-19-16-18(23-10-22-16)24-11-25-19)20-27-15-9-5-8-14(21)17(15)31(29,30)28(20)13-6-3-2-4-7-13/h2-12H,1H3,(H2,22,23,24,25,26)/t12-/m1/s1
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n/an/a>5.00E+3n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged recombinant human full length PI3K p110alpha/p85alpha expressed in baculovirus expression system using lipid substrate incub...


Eur J Med Chem 170: 112-125 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.005
BindingDB Entry DOI: 10.7270/Q2RF5ZF7
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50521353
PNG
(CHEMBL4471020)
Show SMILES C[C@@H](Nc1ncnc(N)c1C#N)C1=Nc2cccc(Cl)c2S(=O)(=O)N1c1ccccc1 |r,t:13|
Show InChI InChI=1S/C20H16ClN7O2S/c1-12(26-19-14(10-22)18(23)24-11-25-19)20-27-16-9-5-8-15(21)17(16)31(29,30)28(20)13-6-3-2-4-7-13/h2-9,11-12H,1H3,(H3,23,24,25,26)/t12-/m1/s1
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n/an/a>5.00E+3n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged recombinant human full length PI3K p110alpha/p85alpha expressed in baculovirus expression system using lipid substrate incub...


Eur J Med Chem 170: 112-125 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.005
BindingDB Entry DOI: 10.7270/Q2RF5ZF7
More data for this
Ligand-Target Pair