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Compile Data Set for Download or QSAR

Found 32 hits Enz. Inhib. hit(s) with all data for entry = 50047115   
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))
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 2n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PI3K alpha by scintillation proximity radiometric assay


Eur J Med Chem 108: 644-54 (2016)


BindingDB Entry DOI: 10.7270/Q2C53NQ5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma 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 3n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PI3K delta by scintillation proximity radiometric assay


Eur J Med Chem 108: 644-54 (2016)


BindingDB Entry DOI: 10.7270/Q2C53NQ5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta 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 3n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of PI3K beta (unknown origin) after 1 hr by ADP-Glo luminescent assay


Eur J Med Chem 108: 644-54 (2016)


BindingDB Entry DOI: 10.7270/Q2C53NQ5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50148942
PNG
(CHEMBL3769902)
Show SMILES Nc1ncc(cn1)-c1nc(N2CCOCC2)c2ccc(Nc3cccnc3C#N)cc2n1
Show InChI InChI=1S/C22H19N9O/c23-11-19-17(2-1-5-25-19)28-15-3-4-16-18(10-15)29-20(14-12-26-22(24)27-13-14)30-21(16)31-6-8-32-9-7-31/h1-5,10,12-13,28H,6-9H2,(H2,24,26,27)
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n/an/a 4.20n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of PI3K alpha (unknown origin) using PIP2 as substrate after 1 hr by kinase-Glo luminescent assay


Eur J Med Chem 108: 644-54 (2016)


BindingDB Entry DOI: 10.7270/Q2C53NQ5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha 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 5.80n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of PI3K alpha (unknown origin) using PIP2 as substrate after 1 hr by kinase-Glo luminescent assay


Eur J Med Chem 108: 644-54 (2016)


BindingDB Entry DOI: 10.7270/Q2C53NQ5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50149057
PNG
(CHEMBL3771212)
Show SMILES Nc1ncc(cn1)-c1nc(N2CCOCC2)c2ccc(Nc3ccc[n+]([O-])c3)cc2n1
Show InChI InChI=1S/C21H20N8O2/c22-21-23-11-14(12-24-21)19-26-18-10-15(25-16-2-1-5-29(30)13-16)3-4-17(18)20(27-19)28-6-8-31-9-7-28/h1-5,10-13,25H,6-9H2,(H2,22,23,24)
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n/an/a 11n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of PI3K alpha (unknown origin) using PIP2 as substrate after 1 hr by kinase-Glo luminescent assay


Eur J Med Chem 108: 644-54 (2016)


BindingDB Entry DOI: 10.7270/Q2C53NQ5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50148942
PNG
(CHEMBL3769902)
Show SMILES Nc1ncc(cn1)-c1nc(N2CCOCC2)c2ccc(Nc3cccnc3C#N)cc2n1
Show InChI InChI=1S/C22H19N9O/c23-11-19-17(2-1-5-25-19)28-15-3-4-16-18(10-15)29-20(14-12-26-22(24)27-13-14)30-21(16)31-6-8-32-9-7-31/h1-5,10,12-13,28H,6-9H2,(H2,24,26,27)
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n/an/a 13n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of PI3K beta (unknown origin) after 1 hr by ADP-Glo luminescent assay


Eur J Med Chem 108: 644-54 (2016)


BindingDB Entry DOI: 10.7270/Q2C53NQ5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50149154
PNG
(CHEMBL3771146)
Show SMILES Nc1ncc(cn1)-c1nc(N2CCOCC2)c2ccc(Nc3cccnc3)cc2n1
Show InChI InChI=1S/C21H20N8O/c22-21-24-11-14(12-25-21)19-27-18-10-15(26-16-2-1-5-23-13-16)3-4-17(18)20(28-19)29-6-8-30-9-7-29/h1-5,10-13,26H,6-9H2,(H2,22,24,25)
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n/an/a 13n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of PI3K alpha (unknown origin) using PIP2 as substrate after 1 hr by kinase-Glo luminescent assay


Eur J Med Chem 108: 644-54 (2016)


BindingDB Entry DOI: 10.7270/Q2C53NQ5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma 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 15n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of PI3K delta (unknown origin) using PIP2 as substrate after 1 hr by kinase-Glo luminescent assay


Eur J Med Chem 108: 644-54 (2016)


BindingDB Entry DOI: 10.7270/Q2C53NQ5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma 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 15n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PI3K gamma by scintillation proximity radiometric assay


Eur J Med Chem 108: 644-54 (2016)


BindingDB Entry DOI: 10.7270/Q2C53NQ5
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(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 16n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of mTOR (unknown origin)


Eur J Med Chem 108: 644-54 (2016)


BindingDB Entry DOI: 10.7270/Q2C53NQ5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta 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 21n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of PI3K beta (unknown origin) after 1 hr by ADP-Glo luminescent assay


Eur J Med Chem 108: 644-54 (2016)


BindingDB Entry DOI: 10.7270/Q2C53NQ5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50149153
PNG
(CHEMBL3769845)
Show SMILES Nc1ncc(cn1)-c1nc(N2CCOCC2)c2ccc(Nc3ccccn3)cc2n1
Show InChI InChI=1S/C21H20N8O/c22-21-24-12-14(13-25-21)19-27-17-11-15(26-18-3-1-2-6-23-18)4-5-16(17)20(28-19)29-7-9-30-10-8-29/h1-6,11-13H,7-10H2,(H,23,26)(H2,22,24,25)
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n/an/a 31n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of PI3K alpha (unknown origin) using PIP2 as substrate after 1 hr by kinase-Glo luminescent assay


Eur J Med Chem 108: 644-54 (2016)


BindingDB Entry DOI: 10.7270/Q2C53NQ5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50149055
PNG
(CHEMBL3771347)
Show SMILES Nc1ncc(cn1)-c1nc(N2CCOCC2)c2ccc(NC(=O)c3cccnc3)cc2n1
Show InChI InChI=1S/C22H20N8O2/c23-22-25-12-15(13-26-22)19-28-18-10-16(27-21(31)14-2-1-5-24-11-14)3-4-17(18)20(29-19)30-6-8-32-9-7-30/h1-5,10-13H,6-9H2,(H,27,31)(H2,23,25,26)
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n/an/a 33n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of PI3K alpha (unknown origin) using PIP2 as substrate after 1 hr by kinase-Glo luminescent assay


Eur J Med Chem 108: 644-54 (2016)


BindingDB Entry DOI: 10.7270/Q2C53NQ5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50149210
PNG
(CHEMBL3769994)
Show SMILES Nc1ccc2c(nc(nc2c1)-c1cnc(N)nc1)N1CCOCC1
Show InChI InChI=1S/C16H17N7O/c17-11-1-2-12-13(7-11)21-14(10-8-19-16(18)20-9-10)22-15(12)23-3-5-24-6-4-23/h1-2,7-9H,3-6,17H2,(H2,18,19,20)
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n/an/a 49n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of PI3K alpha (unknown origin) using PIP2 as substrate after 1 hr by kinase-Glo luminescent assay


Eur J Med Chem 108: 644-54 (2016)


BindingDB Entry DOI: 10.7270/Q2C53NQ5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50148942
PNG
(CHEMBL3769902)
Show SMILES Nc1ncc(cn1)-c1nc(N2CCOCC2)c2ccc(Nc3cccnc3C#N)cc2n1
Show InChI InChI=1S/C22H19N9O/c23-11-19-17(2-1-5-25-19)28-15-3-4-16-18(10-15)29-20(14-12-26-22(24)27-13-14)30-21(16)31-6-8-32-9-7-31/h1-5,10,12-13,28H,6-9H2,(H2,24,26,27)
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n/an/a 50n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of PI3K delta (unknown origin) using PIP2 as substrate after 1 hr by kinase-Glo luminescent assay


Eur J Med Chem 108: 644-54 (2016)


BindingDB Entry DOI: 10.7270/Q2C53NQ5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma 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 51n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of PI3K gamma (unknown origin) after 1 hr by ADP-Glo luminescent assay


Eur J Med Chem 108: 644-54 (2016)


BindingDB Entry DOI: 10.7270/Q2C53NQ5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50148942
PNG
(CHEMBL3769902)
Show SMILES Nc1ncc(cn1)-c1nc(N2CCOCC2)c2ccc(Nc3cccnc3C#N)cc2n1
Show InChI InChI=1S/C22H19N9O/c23-11-19-17(2-1-5-25-19)28-15-3-4-16-18(10-15)29-20(14-12-26-22(24)27-13-14)30-21(16)31-6-8-32-9-7-31/h1-5,10,12-13,28H,6-9H2,(H2,24,26,27)
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n/an/a 64n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of PI3K gamma (unknown origin) after 1 hr by ADP-Glo luminescent assay


Eur J Med Chem 108: 644-54 (2016)


BindingDB Entry DOI: 10.7270/Q2C53NQ5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50149049
PNG
(CHEMBL3771060)
Show SMILES Nc1ncc(cn1)-c1nc(N2CCOCC2)c2cccc(N)c2n1
Show InChI InChI=1S/C16H17N7O/c17-12-3-1-2-11-13(12)21-14(10-8-19-16(18)20-9-10)22-15(11)23-4-6-24-7-5-23/h1-3,8-9H,4-7,17H2,(H2,18,19,20)
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n/an/a 74n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of PI3K alpha (unknown origin) using PIP2 as substrate after 1 hr by kinase-Glo luminescent assay


Eur J Med Chem 108: 644-54 (2016)


BindingDB Entry DOI: 10.7270/Q2C53NQ5
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50148942
PNG
(CHEMBL3769902)
Show SMILES Nc1ncc(cn1)-c1nc(N2CCOCC2)c2ccc(Nc3cccnc3C#N)cc2n1
Show InChI InChI=1S/C22H19N9O/c23-11-19-17(2-1-5-25-19)28-15-3-4-16-18(10-15)29-20(14-12-26-22(24)27-13-14)30-21(16)31-6-8-32-9-7-31/h1-5,10,12-13,28H,6-9H2,(H2,24,26,27)
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n/an/a 78n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of mTOR (unknown origin)


Eur J Med Chem 108: 644-54 (2016)


BindingDB Entry DOI: 10.7270/Q2C53NQ5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50149056
PNG
(CHEMBL3771348)
Show SMILES Nc1ncc(cn1)-c1nc(N2CCOCC2)c2cccc(Nc3cccnc3)c2n1
Show InChI InChI=1S/C21H20N8O/c22-21-24-11-14(12-25-21)19-27-18-16(20(28-19)29-7-9-30-10-8-29)4-1-5-17(18)26-15-3-2-6-23-13-15/h1-6,11-13,26H,7-10H2,(H2,22,24,25)
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n/an/a 142n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PI3K alpha by scintillation proximity radiometric assay


Eur J Med Chem 108: 644-54 (2016)


BindingDB Entry DOI: 10.7270/Q2C53NQ5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50149047
PNG
(CHEMBL3770469)
Show SMILES Nc1cc(c(cn1)-c1nc(N2CCOCC2)c2ccc(Nc3cccnc3)cc2n1)C(F)(F)F
Show InChI InChI=1S/C23H20F3N7O/c24-23(25,26)18-11-20(27)29-13-17(18)21-31-19-10-14(30-15-2-1-5-28-12-15)3-4-16(19)22(32-21)33-6-8-34-9-7-33/h1-5,10-13,30H,6-9H2,(H2,27,29)
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n/an/a 232n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PI3K alpha by scintillation proximity radiometric assay


Eur J Med Chem 108: 644-54 (2016)


BindingDB Entry DOI: 10.7270/Q2C53NQ5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50149046
PNG
(CHEMBL3770892)
Show SMILES Nc1cc(c(cn1)-c1nc(N2CCOCC2)c2ccc(Nc3ccccn3)cc2n1)C(F)(F)F
Show InChI InChI=1S/C23H20F3N7O/c24-23(25,26)17-12-19(27)29-13-16(17)21-31-18-11-14(30-20-3-1-2-6-28-20)4-5-15(18)22(32-21)33-7-9-34-10-8-33/h1-6,11-13H,7-10H2,(H2,27,29)(H,28,30)
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n/an/a 393n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PI3K alpha by scintillation proximity radiometric assay


Eur J Med Chem 108: 644-54 (2016)


BindingDB Entry DOI: 10.7270/Q2C53NQ5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50149052
PNG
(CHEMBL3770661)
Show SMILES Nc1ccc2c(nc(nc2c1)-c1cnc(N)cc1C(F)(F)F)N1CCOCC1
Show InChI InChI=1S/C18H17F3N6O/c19-18(20,21)13-8-15(23)24-9-12(13)16-25-14-7-10(22)1-2-11(14)17(26-16)27-3-5-28-6-4-27/h1-2,7-9H,3-6,22H2,(H2,23,24)
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n/an/a 406n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PI3K alpha by scintillation proximity radiometric assay


Eur J Med Chem 108: 644-54 (2016)


BindingDB Entry DOI: 10.7270/Q2C53NQ5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50149156
PNG
(CHEMBL3771094)
Show SMILES Nc1cc(c(cn1)-c1nc(N2CCOCC2)c2ccc(NC(=O)c3ccncc3)cc2n1)C(F)(F)F
Show InChI InChI=1S/C24H20F3N7O2/c25-24(26,27)18-12-20(28)30-13-17(18)21-32-19-11-15(31-23(35)14-3-5-29-6-4-14)1-2-16(19)22(33-21)34-7-9-36-10-8-34/h1-6,11-13H,7-10H2,(H2,28,30)(H,31,35)
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n/an/a 419n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of PI3K alpha (unknown origin) using PIP2 as substrate after 1 hr by kinase-Glo luminescent assay


Eur J Med Chem 108: 644-54 (2016)


BindingDB Entry DOI: 10.7270/Q2C53NQ5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50149042
PNG
(CHEMBL3769535)
Show SMILES Nc1cc(c(cn1)-c1nc(N2CCOCC2)c2ccc(Nc3ccncc3)cc2n1)C(F)(F)F
Show InChI InChI=1S/C23H20F3N7O/c24-23(25,26)18-12-20(27)29-13-17(18)21-31-19-11-15(30-14-3-5-28-6-4-14)1-2-16(19)22(32-21)33-7-9-34-10-8-33/h1-6,11-13H,7-10H2,(H2,27,29)(H,28,30)
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n/an/a 609n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PI3K alpha by scintillation proximity radiometric assay


Eur J Med Chem 108: 644-54 (2016)


BindingDB Entry DOI: 10.7270/Q2C53NQ5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50149102
PNG
(CHEMBL3770944)
Show SMILES Nc1ncc(cn1)-c1nc(N2CCOCC2)c2cccc(Nc3ccncc3)c2n1
Show InChI InChI=1S/C21H20N8O/c22-21-24-12-14(13-25-21)19-27-18-16(20(28-19)29-8-10-30-11-9-29)2-1-3-17(18)26-15-4-6-23-7-5-15/h1-7,12-13H,8-11H2,(H,23,26)(H2,22,24,25)
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n/an/a 778n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PI3K alpha by scintillation proximity radiometric assay


Eur J Med Chem 108: 644-54 (2016)


BindingDB Entry DOI: 10.7270/Q2C53NQ5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50149155
PNG
(CHEMBL3770226)
Show SMILES Nc1ncc(cn1)-c1nc(N2CCOCC2)c2cccc(Nc3ccccn3)c2n1
Show InChI InChI=1S/C21H20N8O/c22-21-24-12-14(13-25-21)19-27-18-15(20(28-19)29-8-10-30-11-9-29)4-3-5-16(18)26-17-6-1-2-7-23-17/h1-7,12-13H,8-11H2,(H,23,26)(H2,22,24,25)
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n/an/a 1.66E+3n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PI3K alpha by scintillation proximity radiometric assay


Eur J Med Chem 108: 644-54 (2016)


BindingDB Entry DOI: 10.7270/Q2C53NQ5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50149048
PNG
(CHEMBL3770633)
Show SMILES Oc1cccc(c1)-c1nc(N2CCOCC2)c2ccc(Nc3cccnc3C#N)cc2n1
Show InChI InChI=1S/C24H20N6O2/c25-15-22-20(5-2-8-26-22)27-17-6-7-19-21(14-17)28-23(16-3-1-4-18(31)13-16)29-24(19)30-9-11-32-12-10-30/h1-8,13-14,27,31H,9-12H2
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n/an/a 2.17E+3n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of PI3K alpha (unknown origin) using PIP2 as substrate after 1 hr by kinase-Glo luminescent assay


Eur J Med Chem 108: 644-54 (2016)


BindingDB Entry DOI: 10.7270/Q2C53NQ5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50149152
PNG
(CHEMBL3770928)
Show SMILES Nc1ncc(cn1)-c1nc(N2CCOCC2)c2cccc(Nc3cccc(Cl)c3)c2n1
Show InChI InChI=1S/C22H20ClN7O/c23-15-3-1-4-16(11-15)27-18-6-2-5-17-19(18)28-20(14-12-25-22(24)26-13-14)29-21(17)30-7-9-31-10-8-30/h1-6,11-13,27H,7-10H2,(H2,24,25,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PI3K alpha by scintillation proximity radiometric assay


Eur J Med Chem 108: 644-54 (2016)


BindingDB Entry DOI: 10.7270/Q2C53NQ5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50149209
PNG
(CHEMBL3771166)
Show SMILES Nc1ncc(cn1)-c1nc(N2CCOCC2)c2cccc(Nc3ccc(cc3)[N+]([O-])=O)c2n1
Show InChI InChI=1S/C22H20N8O3/c23-22-24-12-14(13-25-22)20-27-19-17(21(28-20)29-8-10-33-11-9-29)2-1-3-18(19)26-15-4-6-16(7-5-15)30(31)32/h1-7,12-13,26H,8-11H2,(H2,23,24,25)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PI3K alpha by scintillation proximity radiometric assay


Eur J Med Chem 108: 644-54 (2016)


BindingDB Entry DOI: 10.7270/Q2C53NQ5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50149045
PNG
(CHEMBL3770985)
Show SMILES Nc1ncc(cn1)-c1nc(N2CCOCC2)c2cccc(Nc3ccccc3)c2n1
Show InChI InChI=1S/C22H21N7O/c23-22-24-13-15(14-25-22)20-27-19-17(21(28-20)29-9-11-30-12-10-29)7-4-8-18(19)26-16-5-2-1-3-6-16/h1-8,13-14,26H,9-12H2,(H2,23,24,25)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of PI3K alpha (unknown origin) using PIP2 as substrate after 1 hr by kinase-Glo luminescent assay


Eur J Med Chem 108: 644-54 (2016)


BindingDB Entry DOI: 10.7270/Q2C53NQ5
More data for this
Ligand-Target Pair