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PubMed code 28526367

Compile data set for download or QSAR
Found 30 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))		BDBM50253249
PNG
(CHEMBL4093351)
Show SMILES CN1CCC(CC1)c1nc(-c2nc(-c3cnc4ccccn34)c(C)nc2N)n(C)n1
Show InChI InChI=1S/C21H25N9/c1-13-17(15-12-23-16-6-4-5-9-30(15)16)25-18(19(22)24-13)21-26-20(27-29(21)3)14-7-10-28(2)11-8-14/h4-6,9,12,14H,7-8,10-11H2,1-3H3,(H2,22,24)
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n/an/a 5n/an/an/an/an/an/a



IMED Oncology, AstraZeneca, Darwin Building, Cambridge Science Park, 319 Milton Road, Cambridge CB4 0WG, United Kingdom. Electronic address: bernard.barlaam2@astrazeneca.com.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin)

Bioorg Med Chem Lett 27: 3030-3035 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.028
BindingDB Entry DOI: 10.7270/Q23R0W9X
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))		BDBM50253251
PNG
(CHEMBL4072637)
Show SMILES CNC(=O)c1nc(-c2nc(-c3cnc4ccccn34)c(C)nc2N)n(C)n1
Show InChI InChI=1S/C17H17N9O/c1-9-12(10-8-20-11-6-4-5-7-26(10)11)22-13(14(18)21-9)16-23-15(17(27)19-2)24-25(16)3/h4-8H,1-3H3,(H2,18,21)(H,19,27)
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n/an/a 6n/an/an/an/an/an/a



IMED Oncology, AstraZeneca, Darwin Building, Cambridge Science Park, 319 Milton Road, Cambridge CB4 0WG, United Kingdom. Electronic address: bernard.barlaam2@astrazeneca.com.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin)

Bioorg Med Chem Lett 27: 3030-3035 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.028
BindingDB Entry DOI: 10.7270/Q23R0W9X
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))		BDBM50253250
PNG
(CHEMBL4064039)
Show SMILES CN1CCC(CC1)n1ncc(n1)-c1nc(-c2cnc3ccccn23)c(C)nc1N
Show InChI InChI=1S/C20H23N9/c1-13-18(16-12-22-17-5-3-4-8-28(16)17)25-19(20(21)24-13)15-11-23-29(26-15)14-6-9-27(2)10-7-14/h3-5,8,11-12,14H,6-7,9-10H2,1-2H3,(H2,21,24)
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n/an/a 8n/an/an/an/an/an/a



IMED Oncology, AstraZeneca, Darwin Building, Cambridge Science Park, 319 Milton Road, Cambridge CB4 0WG, United Kingdom. Electronic address: bernard.barlaam2@astrazeneca.com.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin)

Bioorg Med Chem Lett 27: 3030-3035 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.028
BindingDB Entry DOI: 10.7270/Q23R0W9X
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))		BDBM50253243
PNG
(CHEMBL4078681)
Show SMILES CNC(=O)c1nc(-c2nc(-c3cnn4ccccc34)c(C)nc2N)n(C)n1
Show InChI InChI=1S/C17H17N9O/c1-9-12(10-8-20-26-7-5-4-6-11(10)26)22-13(14(18)21-9)16-23-15(17(27)19-2)24-25(16)3/h4-8H,1-3H3,(H2,18,21)(H,19,27)
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n/an/a<10n/an/an/an/an/an/a



IMED Oncology, AstraZeneca, Darwin Building, Cambridge Science Park, 319 Milton Road, Cambridge CB4 0WG, United Kingdom. Electronic address: bernard.barlaam2@astrazeneca.com.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin)

Bioorg Med Chem Lett 27: 3030-3035 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.028
BindingDB Entry DOI: 10.7270/Q23R0W9X
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))		BDBM50094473
PNG
(CHEMBL3590219)
Show SMILES CN(C)CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c(n1)-n1nnc2ccccc12
Show InChI InChI=1S/C22H26N10O/c1-29(2)14-20(33)30-9-7-16(8-10-30)31-13-15(11-25-31)18-12-24-21(23)22(26-18)32-19-6-4-3-5-17(19)27-28-32/h3-6,11-13,16H,7-10,14H2,1-2H3,(H2,23,24)
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n/an/a 16n/an/an/an/an/an/a



IMED Oncology, AstraZeneca, Darwin Building, Cambridge Science Park, 319 Milton Road, Cambridge CB4 0WG, United Kingdom. Electronic address: bernard.barlaam2@astrazeneca.com.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin)

Bioorg Med Chem Lett 27: 3030-3035 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.028
BindingDB Entry DOI: 10.7270/Q23R0W9X
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))		BDBM50253251
PNG
(CHEMBL4072637)
Show SMILES CNC(=O)c1nc(-c2nc(-c3cnc4ccccn34)c(C)nc2N)n(C)n1
Show InChI InChI=1S/C17H17N9O/c1-9-12(10-8-20-11-6-4-5-7-26(10)11)22-13(14(18)21-9)16-23-15(17(27)19-2)24-25(16)3/h4-8H,1-3H3,(H2,18,21)(H,19,27)
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n/an/a 16n/an/an/an/an/an/a



IMED Oncology, AstraZeneca, Darwin Building, Cambridge Science Park, 319 Milton Road, Cambridge CB4 0WG, United Kingdom. Electronic address: bernard.barlaam2@astrazeneca.com.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin)

Bioorg Med Chem Lett 27: 3030-3035 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.028
BindingDB Entry DOI: 10.7270/Q23R0W9X
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))		BDBM50253248
PNG
(CHEMBL4102957)
Show SMILES CNC(=O)c1nc(-c2nc(cnc2N)-c2cnc3ccccn23)n(C)n1
Show InChI InChI=1S/C16H15N9O/c1-18-16(26)14-22-15(24(2)23-14)12-13(17)20-7-9(21-12)10-8-19-11-5-3-4-6-25(10)11/h3-8H,1-2H3,(H2,17,20)(H,18,26)
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n/an/a 20n/an/an/an/an/an/a



IMED Oncology, AstraZeneca, Darwin Building, Cambridge Science Park, 319 Milton Road, Cambridge CB4 0WG, United Kingdom. Electronic address: bernard.barlaam2@astrazeneca.com.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin)

Bioorg Med Chem Lett 27: 3030-3035 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.028
BindingDB Entry DOI: 10.7270/Q23R0W9X
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))		BDBM50094473
PNG
(CHEMBL3590219)
Show SMILES CN(C)CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c(n1)-n1nnc2ccccc12
Show InChI InChI=1S/C22H26N10O/c1-29(2)14-20(33)30-9-7-16(8-10-30)31-13-15(11-25-31)18-12-24-21(23)22(26-18)32-19-6-4-3-5-17(19)27-28-32/h3-6,11-13,16H,7-10,14H2,1-2H3,(H2,23,24)
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n/an/a 20n/an/an/an/an/an/a



IMED Oncology, AstraZeneca, Darwin Building, Cambridge Science Park, 319 Milton Road, Cambridge CB4 0WG, United Kingdom. Electronic address: bernard.barlaam2@astrazeneca.com.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin)

Bioorg Med Chem Lett 27: 3030-3035 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.028
BindingDB Entry DOI: 10.7270/Q23R0W9X
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))		BDBM50253243
PNG
(CHEMBL4078681)
Show SMILES CNC(=O)c1nc(-c2nc(-c3cnn4ccccc34)c(C)nc2N)n(C)n1
Show InChI InChI=1S/C17H17N9O/c1-9-12(10-8-20-26-7-5-4-6-11(10)26)22-13(14(18)21-9)16-23-15(17(27)19-2)24-25(16)3/h4-8H,1-3H3,(H2,18,21)(H,19,27)
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n/an/a 24n/an/an/an/an/an/a



IMED Oncology, AstraZeneca, Darwin Building, Cambridge Science Park, 319 Milton Road, Cambridge CB4 0WG, United Kingdom. Electronic address: bernard.barlaam2@astrazeneca.com.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta (unknown origin)

Bioorg Med Chem Lett 27: 3030-3035 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.028
BindingDB Entry DOI: 10.7270/Q23R0W9X
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))		BDBM50253249
PNG
(CHEMBL4093351)
Show SMILES CN1CCC(CC1)c1nc(-c2nc(-c3cnc4ccccn34)c(C)nc2N)n(C)n1
Show InChI InChI=1S/C21H25N9/c1-13-17(15-12-23-16-6-4-5-9-30(15)16)25-18(19(22)24-13)21-26-20(27-29(21)3)14-7-10-28(2)11-8-14/h4-6,9,12,14H,7-8,10-11H2,1-3H3,(H2,22,24)
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n/an/a 32n/an/an/an/an/an/a



IMED Oncology, AstraZeneca, Darwin Building, Cambridge Science Park, 319 Milton Road, Cambridge CB4 0WG, United Kingdom. Electronic address: bernard.barlaam2@astrazeneca.com.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta (unknown origin)

Bioorg Med Chem Lett 27: 3030-3035 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.028
BindingDB Entry DOI: 10.7270/Q23R0W9X
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))		BDBM50253251
PNG
(CHEMBL4072637)
Show SMILES CNC(=O)c1nc(-c2nc(-c3cnc4ccccn34)c(C)nc2N)n(C)n1
Show InChI InChI=1S/C17H17N9O/c1-9-12(10-8-20-11-6-4-5-7-26(10)11)22-13(14(18)21-9)16-23-15(17(27)19-2)24-25(16)3/h4-8H,1-3H3,(H2,18,21)(H,19,27)
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n/an/a 43n/an/an/an/an/an/a



IMED Oncology, AstraZeneca, Darwin Building, Cambridge Science Park, 319 Milton Road, Cambridge CB4 0WG, United Kingdom. Electronic address: bernard.barlaam2@astrazeneca.com.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma (unknown origin)

Bioorg Med Chem Lett 27: 3030-3035 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.028
BindingDB Entry DOI: 10.7270/Q23R0W9X
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))		BDBM50253250
PNG
(CHEMBL4064039)
Show SMILES CN1CCC(CC1)n1ncc(n1)-c1nc(-c2cnc3ccccn23)c(C)nc1N
Show InChI InChI=1S/C20H23N9/c1-13-18(16-12-22-17-5-3-4-8-28(16)17)25-19(20(21)24-13)15-11-23-29(26-15)14-6-9-27(2)10-7-14/h3-5,8,11-12,14H,6-7,9-10H2,1-2H3,(H2,21,24)
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n/an/a 76n/an/an/an/an/an/a



IMED Oncology, AstraZeneca, Darwin Building, Cambridge Science Park, 319 Milton Road, Cambridge CB4 0WG, United Kingdom. Electronic address: bernard.barlaam2@astrazeneca.com.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta (unknown origin)

Bioorg Med Chem Lett 27: 3030-3035 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.028
BindingDB Entry DOI: 10.7270/Q23R0W9X
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))		BDBM50253251
PNG
(CHEMBL4072637)
Show SMILES CNC(=O)c1nc(-c2nc(-c3cnc4ccccn34)c(C)nc2N)n(C)n1
Show InChI InChI=1S/C17H17N9O/c1-9-12(10-8-20-11-6-4-5-7-26(10)11)22-13(14(18)21-9)16-23-15(17(27)19-2)24-25(16)3/h4-8H,1-3H3,(H2,18,21)(H,19,27)
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n/an/a 87n/an/an/an/an/an/a



IMED Oncology, AstraZeneca, Darwin Building, Cambridge Science Park, 319 Milton Road, Cambridge CB4 0WG, United Kingdom. Electronic address: bernard.barlaam2@astrazeneca.com.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta (unknown origin)

Bioorg Med Chem Lett 27: 3030-3035 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.028
BindingDB Entry DOI: 10.7270/Q23R0W9X
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))		BDBM50253249
PNG
(CHEMBL4093351)
Show SMILES CN1CCC(CC1)c1nc(-c2nc(-c3cnc4ccccn34)c(C)nc2N)n(C)n1
Show InChI InChI=1S/C21H25N9/c1-13-17(15-12-23-16-6-4-5-9-30(15)16)25-18(19(22)24-13)21-26-20(27-29(21)3)14-7-10-28(2)11-8-14/h4-6,9,12,14H,7-8,10-11H2,1-3H3,(H2,22,24)
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n/an/a 200n/an/an/an/an/an/a



IMED Oncology, AstraZeneca, Darwin Building, Cambridge Science Park, 319 Milton Road, Cambridge CB4 0WG, United Kingdom. Electronic address: bernard.barlaam2@astrazeneca.com.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta in PTEN-deficient human MDA-MB-468 cells assessed as reduction in AKT phosphorylation at Ser473

Bioorg Med Chem Lett 27: 3030-3035 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.028
BindingDB Entry DOI: 10.7270/Q23R0W9X
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))		BDBM50094473
PNG
(CHEMBL3590219)
Show SMILES CN(C)CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c(n1)-n1nnc2ccccc12
Show InChI InChI=1S/C22H26N10O/c1-29(2)14-20(33)30-9-7-16(8-10-30)31-13-15(11-25-31)18-12-24-21(23)22(26-18)32-19-6-4-3-5-17(19)27-28-32/h3-6,11-13,16H,7-10,14H2,1-2H3,(H2,23,24)
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n/an/a 280n/an/an/an/an/an/a



IMED Oncology, AstraZeneca, Darwin Building, Cambridge Science Park, 319 Milton Road, Cambridge CB4 0WG, United Kingdom. Electronic address: bernard.barlaam2@astrazeneca.com.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma (unknown origin)

Bioorg Med Chem Lett 27: 3030-3035 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.028
BindingDB Entry DOI: 10.7270/Q23R0W9X
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))		BDBM50253250
PNG
(CHEMBL4064039)
Show SMILES CN1CCC(CC1)n1ncc(n1)-c1nc(-c2cnc3ccccn23)c(C)nc1N
Show InChI InChI=1S/C20H23N9/c1-13-18(16-12-22-17-5-3-4-8-28(16)17)25-19(20(21)24-13)15-11-23-29(26-15)14-6-9-27(2)10-7-14/h3-5,8,11-12,14H,6-7,9-10H2,1-2H3,(H2,21,24)
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n/an/a 550n/an/an/an/an/an/a



IMED Oncology, AstraZeneca, Darwin Building, Cambridge Science Park, 319 Milton Road, Cambridge CB4 0WG, United Kingdom. Electronic address: bernard.barlaam2@astrazeneca.com.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta in PTEN-deficient human MDA-MB-468 cells assessed as reduction in AKT phosphorylation at Ser473

Bioorg Med Chem Lett 27: 3030-3035 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.028
BindingDB Entry DOI: 10.7270/Q23R0W9X
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))		BDBM50094473
PNG
(CHEMBL3590219)
Show SMILES CN(C)CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c(n1)-n1nnc2ccccc12
Show InChI InChI=1S/C22H26N10O/c1-29(2)14-20(33)30-9-7-16(8-10-30)31-13-15(11-25-31)18-12-24-21(23)22(26-18)32-19-6-4-3-5-17(19)27-28-32/h3-6,11-13,16H,7-10,14H2,1-2H3,(H2,23,24)
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PubMed
n/an/a 900n/an/an/an/an/an/a



IMED Oncology, AstraZeneca, Darwin Building, Cambridge Science Park, 319 Milton Road, Cambridge CB4 0WG, United Kingdom. Electronic address: bernard.barlaam2@astrazeneca.com.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta (unknown origin)

Bioorg Med Chem Lett 27: 3030-3035 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.028
BindingDB Entry DOI: 10.7270/Q23R0W9X
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))		BDBM50253248
PNG
(CHEMBL4102957)
Show SMILES CNC(=O)c1nc(-c2nc(cnc2N)-c2cnc3ccccn23)n(C)n1
Show InChI InChI=1S/C16H15N9O/c1-18-16(26)14-22-15(24(2)23-14)12-13(17)20-7-9(21-12)10-8-19-11-5-3-4-6-25(10)11/h3-8H,1-2H3,(H2,17,20)(H,18,26)
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n/an/a 1.30E+3n/an/an/an/an/an/a



IMED Oncology, AstraZeneca, Darwin Building, Cambridge Science Park, 319 Milton Road, Cambridge CB4 0WG, United Kingdom. Electronic address: bernard.barlaam2@astrazeneca.com.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta (unknown origin)

Bioorg Med Chem Lett 27: 3030-3035 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.028
BindingDB Entry DOI: 10.7270/Q23R0W9X
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))		BDBM50253253
PNG
(CHEMBL4065083)
Show SMILES CN(C)CCNC(=O)c1nc(-c2nc(-c3cnn4ccccc34)c(C)nc2N)n(C)n1
Show InChI InChI=1S/C20H24N10O/c1-12-15(13-11-23-30-9-6-5-7-14(13)30)25-16(17(21)24-12)19-26-18(27-29(19)4)20(31)22-8-10-28(2)3/h5-7,9,11H,8,10H2,1-4H3,(H2,21,24)(H,22,31)
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n/an/a 1.50E+3n/an/an/an/an/an/a



IMED Oncology, AstraZeneca, Darwin Building, Cambridge Science Park, 319 Milton Road, Cambridge CB4 0WG, United Kingdom. Electronic address: bernard.barlaam2@astrazeneca.com.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta in PTEN-deficient human MDA-MB-468 cells assessed as reduction in AKT phosphorylation at Ser473

Bioorg Med Chem Lett 27: 3030-3035 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.028
BindingDB Entry DOI: 10.7270/Q23R0W9X
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))		BDBM50253243
PNG
(CHEMBL4078681)
Show SMILES CNC(=O)c1nc(-c2nc(-c3cnn4ccccc34)c(C)nc2N)n(C)n1
Show InChI InChI=1S/C17H17N9O/c1-9-12(10-8-20-26-7-5-4-6-11(10)26)22-13(14(18)21-9)16-23-15(17(27)19-2)24-25(16)3/h4-8H,1-3H3,(H2,18,21)(H,19,27)
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n/an/a 1.50E+3n/an/an/an/an/an/a



IMED Oncology, AstraZeneca, Darwin Building, Cambridge Science Park, 319 Milton Road, Cambridge CB4 0WG, United Kingdom. Electronic address: bernard.barlaam2@astrazeneca.com.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta in PTEN-deficient human MDA-MB-468 cells assessed as reduction in AKT phosphorylation at Ser473

Bioorg Med Chem Lett 27: 3030-3035 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.028
BindingDB Entry DOI: 10.7270/Q23R0W9X
More data for this
Ligand-Target Pair
Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha


(Homo sapiens)		BDBM50253251
PNG
(CHEMBL4072637)
Show SMILES CNC(=O)c1nc(-c2nc(-c3cnc4ccccn34)c(C)nc2N)n(C)n1
Show InChI InChI=1S/C17H17N9O/c1-9-12(10-8-20-11-6-4-5-7-26(10)11)22-13(14(18)21-9)16-23-15(17(27)19-2)24-25(16)3/h4-8H,1-3H3,(H2,18,21)(H,19,27)
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n/an/a 2.60E+3n/an/an/an/an/an/a



IMED Oncology, AstraZeneca, Darwin Building, Cambridge Science Park, 319 Milton Road, Cambridge CB4 0WG, United Kingdom. Electronic address: bernard.barlaam2@astrazeneca.com.

Curated by ChEMBL


Assay Description
Inhibition of human PI4K2alpha (1 to 479 residues) by ADP Glo HTS assay

Bioorg Med Chem Lett 27: 3030-3035 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.028
BindingDB Entry DOI: 10.7270/Q23R0W9X
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase beta


(Homo sapiens (Human))		BDBM50253251
PNG
(CHEMBL4072637)
Show SMILES CNC(=O)c1nc(-c2nc(-c3cnc4ccccn34)c(C)nc2N)n(C)n1
Show InChI InChI=1S/C17H17N9O/c1-9-12(10-8-20-11-6-4-5-7-26(10)11)22-13(14(18)21-9)16-23-15(17(27)19-2)24-25(16)3/h4-8H,1-3H3,(H2,18,21)(H,19,27)
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n/an/a 2.80E+3n/an/an/an/an/an/a



IMED Oncology, AstraZeneca, Darwin Building, Cambridge Science Park, 319 Milton Road, Cambridge CB4 0WG, United Kingdom. Electronic address: bernard.barlaam2@astrazeneca.com.

Curated by ChEMBL


Assay Description
Inhibition of human PI4KB (1 to 801 residues) by ADP Glo HTS assay

Bioorg Med Chem Lett 27: 3030-3035 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.028
BindingDB Entry DOI: 10.7270/Q23R0W9X
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))		BDBM50253251
PNG
(CHEMBL4072637)
Show SMILES CNC(=O)c1nc(-c2nc(-c3cnc4ccccn34)c(C)nc2N)n(C)n1
Show InChI InChI=1S/C17H17N9O/c1-9-12(10-8-20-11-6-4-5-7-26(10)11)22-13(14(18)21-9)16-23-15(17(27)19-2)24-25(16)3/h4-8H,1-3H3,(H2,18,21)(H,19,27)
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PubMed
n/an/a 8.40E+3n/an/an/an/an/an/a



IMED Oncology, AstraZeneca, Darwin Building, Cambridge Science Park, 319 Milton Road, Cambridge CB4 0WG, United Kingdom. Electronic address: bernard.barlaam2@astrazeneca.com.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta in PTEN-deficient human MDA-MB-468 cells assessed as reduction in AKT phosphorylation at Ser473

Bioorg Med Chem Lett 27: 3030-3035 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.028
BindingDB Entry DOI: 10.7270/Q23R0W9X
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))		BDBM50094473
PNG
(CHEMBL3590219)
Show SMILES CN(C)CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c(n1)-n1nnc2ccccc12
Show InChI InChI=1S/C22H26N10O/c1-29(2)14-20(33)30-9-7-16(8-10-30)31-13-15(11-25-31)18-12-24-21(23)22(26-18)32-19-6-4-3-5-17(19)27-28-32/h3-6,11-13,16H,7-10,14H2,1-2H3,(H2,23,24)
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n/an/a 1.30E+4n/an/an/an/an/an/a



IMED Oncology, AstraZeneca, Darwin Building, Cambridge Science Park, 319 Milton Road, Cambridge CB4 0WG, United Kingdom. Electronic address: bernard.barlaam2@astrazeneca.com.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta in PTEN-deficient human MDA-MB-468 cells assessed as reduction in AKT phosphorylation at Ser473

Bioorg Med Chem Lett 27: 3030-3035 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.028
BindingDB Entry DOI: 10.7270/Q23R0W9X
More data for this
Ligand-Target Pair
Vacuolar protein sorting-associated protein 35


(Homo sapiens)		BDBM50253251
PNG
(CHEMBL4072637)
Show SMILES CNC(=O)c1nc(-c2nc(-c3cnc4ccccn34)c(C)nc2N)n(C)n1
Show InChI InChI=1S/C17H17N9O/c1-9-12(10-8-20-11-6-4-5-7-26(10)11)22-13(14(18)21-9)16-23-15(17(27)19-2)24-25(16)3/h4-8H,1-3H3,(H2,18,21)(H,19,27)
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n/an/a 1.60E+4n/an/an/an/an/an/a



IMED Oncology, AstraZeneca, Darwin Building, Cambridge Science Park, 319 Milton Road, Cambridge CB4 0WG, United Kingdom. Electronic address: bernard.barlaam2@astrazeneca.com.

Curated by ChEMBL


Assay Description
Inhibition of VPS35 (unknown origin)

Bioorg Med Chem Lett 27: 3030-3035 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.028
BindingDB Entry DOI: 10.7270/Q23R0W9X
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))		BDBM50253252
PNG
(CHEMBL4086526)
Show SMILES CO[C@H]1CC[C@@H](CC1)NC(=O)c1nc(-c2nc(-c3cnc4ccccn34)c(C)nc2N)n(C)n1 |r,wU:2.1,wD:5.8,(20.8,-29.62,;21.54,-28.27,;23.08,-28.24,;23.82,-26.89,;25.35,-26.85,;26.15,-28.17,;25.42,-29.52,;23.88,-29.56,;27.69,-28.13,;28.42,-26.77,;27.62,-25.46,;29.96,-26.73,;30.99,-27.88,;32.4,-27.25,;33.72,-28.02,;35.05,-27.25,;36.39,-28.01,;37.83,-27.49,;39.11,-28.35,;40.32,-27.41,;39.8,-25.97,;40.52,-24.62,;39.72,-23.31,;38.17,-23.36,;37.45,-24.71,;38.26,-26.01,;36.39,-29.56,;37.73,-30.33,;35.06,-30.33,;33.72,-29.56,;32.39,-30.33,;32.24,-25.72,;33.38,-24.69,;30.73,-25.4,)|
Show InChI InChI=1S/C23H27N9O2/c1-13-18(16-12-25-17-6-4-5-11-32(16)17)28-19(20(24)26-13)22-29-21(30-31(22)2)23(33)27-14-7-9-15(34-3)10-8-14/h4-6,11-12,14-15H,7-10H2,1-3H3,(H2,24,26)(H,27,33)/t14-,15-
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n/an/a 1.60E+4n/an/an/an/an/an/a



IMED Oncology, AstraZeneca, Darwin Building, Cambridge Science Park, 319 Milton Road, Cambridge CB4 0WG, United Kingdom. Electronic address: bernard.barlaam2@astrazeneca.com.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta in PTEN-deficient human MDA-MB-468 cells assessed as reduction in AKT phosphorylation at Ser473

Bioorg Med Chem Lett 27: 3030-3035 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.028
BindingDB Entry DOI: 10.7270/Q23R0W9X
More data for this
Ligand-Target Pair
Phosphoinositide 3-kinase regulatory subunit 4


(Homo sapiens (Human))		BDBM50253251
PNG
(CHEMBL4072637)
Show SMILES CNC(=O)c1nc(-c2nc(-c3cnc4ccccn34)c(C)nc2N)n(C)n1
Show InChI InChI=1S/C17H17N9O/c1-9-12(10-8-20-11-6-4-5-7-26(10)11)22-13(14(18)21-9)16-23-15(17(27)19-2)24-25(16)3/h4-8H,1-3H3,(H2,18,21)(H,19,27)
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n/an/a 1.60E+4n/an/an/an/an/an/a



IMED Oncology, AstraZeneca, Darwin Building, Cambridge Science Park, 319 Milton Road, Cambridge CB4 0WG, United Kingdom. Electronic address: bernard.barlaam2@astrazeneca.com.

Curated by ChEMBL


Assay Description
Inhibition of VPS15 (unknown origin)

Bioorg Med Chem Lett 27: 3030-3035 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.028
BindingDB Entry DOI: 10.7270/Q23R0W9X
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))		BDBM50253248
PNG
(CHEMBL4102957)
Show SMILES CNC(=O)c1nc(-c2nc(cnc2N)-c2cnc3ccccn23)n(C)n1
Show InChI InChI=1S/C16H15N9O/c1-18-16(26)14-22-15(24(2)23-14)12-13(17)20-7-9(21-12)10-8-19-11-5-3-4-6-25(10)11/h3-8H,1-2H3,(H2,17,20)(H,18,26)
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n/an/a 2.10E+4n/an/an/an/an/an/a



IMED Oncology, AstraZeneca, Darwin Building, Cambridge Science Park, 319 Milton Road, Cambridge CB4 0WG, United Kingdom. Electronic address: bernard.barlaam2@astrazeneca.com.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta in PTEN-deficient human MDA-MB-468 cells assessed as reduction in AKT phosphorylation at Ser473

Bioorg Med Chem Lett 27: 3030-3035 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.028
BindingDB Entry DOI: 10.7270/Q23R0W9X
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))		BDBM50253251
PNG
(CHEMBL4072637)
Show SMILES CNC(=O)c1nc(-c2nc(-c3cnc4ccccn34)c(C)nc2N)n(C)n1
Show InChI InChI=1S/C17H17N9O/c1-9-12(10-8-20-11-6-4-5-7-26(10)11)22-13(14(18)21-9)16-23-15(17(27)19-2)24-25(16)3/h4-8H,1-3H3,(H2,18,21)(H,19,27)
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PubMed
n/an/a 2.90E+4n/an/an/an/an/an/a



IMED Oncology, AstraZeneca, Darwin Building, Cambridge Science Park, 319 Milton Road, Cambridge CB4 0WG, United Kingdom. Electronic address: bernard.barlaam2@astrazeneca.com.

Curated by ChEMBL


Assay Description
Inhibition of m-TOR (unknown origin)

Bioorg Med Chem Lett 27: 3030-3035 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.028
BindingDB Entry DOI: 10.7270/Q23R0W9X
More data for this
Ligand-Target Pair
Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha


(Homo sapiens)		BDBM50253251
PNG
(CHEMBL4072637)
Show SMILES CNC(=O)c1nc(-c2nc(-c3cnc4ccccn34)c(C)nc2N)n(C)n1
Show InChI InChI=1S/C17H17N9O/c1-9-12(10-8-20-11-6-4-5-7-26(10)11)22-13(14(18)21-9)16-23-15(17(27)19-2)24-25(16)3/h4-8H,1-3H3,(H2,18,21)(H,19,27)
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n/an/a 3.80E+4n/an/an/an/an/an/a



IMED Oncology, AstraZeneca, Darwin Building, Cambridge Science Park, 319 Milton Road, Cambridge CB4 0WG, United Kingdom. Electronic address: bernard.barlaam2@astrazeneca.com.

Curated by ChEMBL


Assay Description
Inhibition of human PIP5K2alpha (1 to 406 residues) by ADP Glo HTS assay

Bioorg Med Chem Lett 27: 3030-3035 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.028
BindingDB Entry DOI: 10.7270/Q23R0W9X
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%