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Compile Data Set for Download or QSAR

Found 98 hits with Last Name = 'nylander' and Initial = 's'   
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 beta isoform


(Homo sapiens (Human))		BDBM50395803
PNG
(CHEMBL2165175)
Show SMILES Cc1cc(ccn1)-c1cc(=O)[nH]c(NCc2cccc3ccccc23)n1
Show InChI InChI=1S/C21H18N4O/c1-14-11-16(9-10-22-14)19-12-20(26)25-21(24-19)23-13-17-7-4-6-15-5-2-3-8-18(15)17/h2-12H,13H2,1H3,(H2,23,24,25,26)
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n/an/a 7n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6-tagged PI3K p110beta expressed in baculovirus infected cells using DiC8-PI(4,5)P2 as substrate after 20 mins by ...

Bioorg Med Chem Lett 22: 6671-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.102
BindingDB Entry DOI: 10.7270/Q2445NKM
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))		BDBM50395821
PNG
(CHEMBL2165191)
Show SMILES C[C@@H](Nc1ccccc1C(O)=O)c1cc(C)cn2c1nc(cc2=O)N1CCOCC1 |r|
Show InChI InChI=1S/C22H24N4O4/c1-14-11-17(15(2)23-18-6-4-3-5-16(18)22(28)29)21-24-19(12-20(27)26(21)13-14)25-7-9-30-10-8-25/h3-6,11-13,15,23H,7-10H2,1-2H3,(H,28,29)/t15-/m1/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PI3Kbeta assessed as PIP3 production by AlphaScreen assay

Bioorg Med Chem Lett 24: 3936-43 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.007
BindingDB Entry DOI: 10.7270/Q2BP04F3
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))		BDBM50395821
PNG
(CHEMBL2165191)
Show SMILES C[C@@H](Nc1ccccc1C(O)=O)c1cc(C)cn2c1nc(cc2=O)N1CCOCC1 |r|
Show InChI InChI=1S/C22H24N4O4/c1-14-11-17(15(2)23-18-6-4-3-5-16(18)22(28)29)21-24-19(12-20(27)26(21)13-14)25-7-9-30-10-8-25/h3-6,11-13,15,23H,7-10H2,1-2H3,(H,28,29)/t15-/m1/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6-tagged PI3K p110beta expressed in baculovirus infected cells using DiC8-PI(4,5)P2 as substrate after 20 mins by ...

Bioorg Med Chem Lett 22: 6671-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.102
BindingDB Entry DOI: 10.7270/Q2445NKM
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))		BDBM50052811
PNG
(CHEMBL3318708)
Show SMILES C[C@@H](Nc1ccccc1C(=O)NS(C)(=O)=O)c1cc(C)cn2c1nc(cc2=O)N1CCOCC1 |r|
Show InChI InChI=1S/C23H27N5O5S/c1-15-12-18(16(2)24-19-7-5-4-6-17(19)23(30)26-34(3,31)32)22-25-20(13-21(29)28(22)14-15)27-8-10-33-11-9-27/h4-7,12-14,16,24H,8-11H2,1-3H3,(H,26,30)/t16-/m1/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PI3Kbeta assessed as PIP3 production by AlphaScreen assay

Bioorg Med Chem Lett 24: 3936-43 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.007
BindingDB Entry DOI: 10.7270/Q2BP04F3
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))		BDBM50052812
PNG
(CHEMBL3318707)
Show SMILES CC(Nc1ccccc1S(O)(=O)=O)c1cc(C)cn2c1nc(cc2=O)N1CCOCC1
Show InChI InChI=1S/C21H24N4O5S/c1-14-11-16(15(2)22-17-5-3-4-6-18(17)31(27,28)29)21-23-19(12-20(26)25(21)13-14)24-7-9-30-10-8-24/h3-6,11-13,15,22H,7-10H2,1-2H3,(H,27,28,29)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PI3Kbeta assessed as PIP3 production by AlphaScreen assay

Bioorg Med Chem Lett 24: 3936-43 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.007
BindingDB Entry DOI: 10.7270/Q2BP04F3
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))		BDBM50052814
PNG
(CHEMBL3318705)
Show SMILES CC(Nc1cc(Cl)ccc1C(O)=O)c1cc(C)cn2c1nc(cc2=O)N1CCOCC1
Show InChI InChI=1S/C22H23ClN4O4/c1-13-9-17(14(2)24-18-10-15(23)3-4-16(18)22(29)30)21-25-19(11-20(28)27(21)12-13)26-5-7-31-8-6-26/h3-4,9-12,14,24H,5-8H2,1-2H3,(H,29,30)
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n/an/a 31n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PI3Kbeta assessed as PIP3 production by AlphaScreen assay

Bioorg Med Chem Lett 24: 3936-43 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.007
BindingDB Entry DOI: 10.7270/Q2BP04F3
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))		BDBM50395820
PNG
(CHEMBL2165192)
Show SMILES CC1CN(CCO1)c1cc(=O)[nH]c(NCc2cccc3ccccc23)n1
Show InChI InChI=1S/C20H22N4O2/c1-14-13-24(9-10-26-14)18-11-19(25)23-20(22-18)21-12-16-7-4-6-15-5-2-3-8-17(15)16/h2-8,11,14H,9-10,12-13H2,1H3,(H2,21,22,23,25)
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n/an/a 34n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6-tagged PI3K p110beta expressed in baculovirus infected cells using DiC8-PI(4,5)P2 as substrate after 20 mins by ...

Bioorg Med Chem Lett 22: 6671-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.102
BindingDB Entry DOI: 10.7270/Q2445NKM
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))		BDBM50048709
PNG
(CHEMBL3318715)
Show SMILES CC(Nc1ccccc1)c1cc(cn2c1nc(cc2=O)N1CCOCC1)C(=O)NCCN(C)C
Show InChI InChI=1S/C25H32N6O3/c1-18(27-20-7-5-4-6-8-20)21-15-19(25(33)26-9-10-29(2)3)17-31-23(32)16-22(28-24(21)31)30-11-13-34-14-12-30/h4-8,15-18,27H,9-14H2,1-3H3,(H,26,33)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PI3Kbeta assessed as PIP3 production by AlphaScreen assay

Bioorg Med Chem Lett 24: 3936-43 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.007
BindingDB Entry DOI: 10.7270/Q2BP04F3
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))		BDBM50395802
PNG
(CHEMBL2165189)
Show SMILES C[C@H]1CN(CCO1)c1cc([nH]c(=O)n1)N(CCO)Cc1cccc2ccccc12 |r|
Show InChI InChI=1S/C22H26N4O3/c1-16-14-26(10-12-29-16)21-13-20(23-22(28)24-21)25(9-11-27)15-18-7-4-6-17-5-2-3-8-19(17)18/h2-8,13,16,27H,9-12,14-15H2,1H3,(H,23,24,28)/t16-/m0/s1
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n/an/a 38n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6-tagged PI3K p110beta expressed in baculovirus infected cells using DiC8-PI(4,5)P2 as substrate after 20 mins by ...

Bioorg Med Chem Lett 22: 6671-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.102
BindingDB Entry DOI: 10.7270/Q2445NKM
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))		BDBM50052816
PNG
(CHEMBL3318727)
Show SMILES CC(Oc1cccc(F)c1C)c1cc(cn2c1nc(cc2=O)N1CCOCC1)C(=O)N(C)CCO
Show InChI InChI=1S/C25H29FN4O5/c1-16-20(26)5-4-6-21(16)35-17(2)19-13-18(25(33)28(3)7-10-31)15-30-23(32)14-22(27-24(19)30)29-8-11-34-12-9-29/h4-6,13-15,17,31H,7-12H2,1-3H3
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n/an/a 46n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PI3Kbeta assessed as PIP3 production by AlphaScreen assay

Bioorg Med Chem Lett 24: 3936-43 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.007
BindingDB Entry DOI: 10.7270/Q2BP04F3
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))		BDBM50052818
PNG
(CHEMBL3318725)
Show SMILES COc1cccc(OC(C)c2cc(cn3c2nc(cc3=O)N2CCOCC2)C(=O)N(C)CCO)c1
Show InChI InChI=1S/C25H30N4O6/c1-17(35-20-6-4-5-19(14-20)33-3)21-13-18(25(32)27(2)7-10-30)16-29-23(31)15-22(26-24(21)29)28-8-11-34-12-9-28/h4-6,13-17,30H,7-12H2,1-3H3
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PI3Kbeta assessed as PIP3 production by AlphaScreen assay

Bioorg Med Chem Lett 24: 3936-43 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.007
BindingDB Entry DOI: 10.7270/Q2BP04F3
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))		BDBM50447094
PNG
(CHEMBL1972466)
Show SMILES CC(Nc1ccccc1)c1cc(C)cn2c1nc(cc2=O)N1CCOCC1
Show InChI InChI=1S/C21H24N4O2/c1-15-12-18(16(2)22-17-6-4-3-5-7-17)21-23-19(13-20(26)25(21)14-15)24-8-10-27-11-9-24/h3-7,12-14,16,22H,8-11H2,1-2H3
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PI3Kbeta assessed as PIP3 production by AlphaScreen assay

Bioorg Med Chem Lett 24: 3936-43 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.007
BindingDB Entry DOI: 10.7270/Q2BP04F3
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))		BDBM50052810
PNG
(CHEMBL3318709)
Show SMILES CC(Nc1ccccc1-c1nnn[nH]1)c1cc(C)cn2c1nc(cc2=O)N1CCOCC1
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n/an/a 51n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PI3Kbeta assessed as PIP3 production by AlphaScreen assay

Bioorg Med Chem Lett 24: 3936-43 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.007
BindingDB Entry DOI: 10.7270/Q2BP04F3
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))		BDBM50052828
PNG
(CHEMBL3318712)
Show SMILES CC(Nc1ccccc1)c1cc(cn2c1nc(cc2=O)N1CCOCC1)C(=O)N(C)CCO
Show InChI InChI=1S/C24H29N5O4/c1-17(25-19-6-4-3-5-7-19)20-14-18(24(32)27(2)8-11-30)16-29-22(31)15-21(26-23(20)29)28-9-12-33-13-10-28/h3-7,14-17,25,30H,8-13H2,1-2H3
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PI3Kbeta assessed as PIP3 production by AlphaScreen assay

Bioorg Med Chem Lett 24: 3936-43 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.007
BindingDB Entry DOI: 10.7270/Q2BP04F3
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))		BDBM50052829
PNG
(CHEMBL3318710)
Show SMILES CC(Nc1ccccc1)c1cc(cn2c1nc(cc2=O)N1CCOCC1)C(O)=O
Show InChI InChI=1S/C21H22N4O4/c1-14(22-16-5-3-2-4-6-16)17-11-15(21(27)28)13-25-19(26)12-18(23-20(17)25)24-7-9-29-10-8-24/h2-6,11-14,22H,7-10H2,1H3,(H,27,28)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PI3Kbeta assessed as PIP3 production by AlphaScreen assay

Bioorg Med Chem Lett 24: 3936-43 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.007
BindingDB Entry DOI: 10.7270/Q2BP04F3
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))		BDBM50048708
PNG
(CHEMBL3318711)
Show SMILES CC(Nc1ccccc1)c1cc(cn2c1nc(cc2=O)N1CCOCC1)C(=O)N(C)C
Show InChI InChI=1S/C23H27N5O3/c1-16(24-18-7-5-4-6-8-18)19-13-17(23(30)26(2)3)15-28-21(29)14-20(25-22(19)28)27-9-11-31-12-10-27/h4-8,13-16,24H,9-12H2,1-3H3
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PI3Kbeta assessed as PIP3 production by AlphaScreen assay

Bioorg Med Chem Lett 24: 3936-43 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.007
BindingDB Entry DOI: 10.7270/Q2BP04F3
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))		BDBM50052825
PNG
(CHEMBL3318716)
Show SMILES CC(Nc1ccccc1)c1cc(cn2c1nc(cc2=O)N1CCOCC1)C(=O)NCCN1CCNCC1
Show InChI InChI=1S/C27H35N7O3/c1-20(30-22-5-3-2-4-6-22)23-17-21(27(36)29-9-12-32-10-7-28-8-11-32)19-34-25(35)18-24(31-26(23)34)33-13-15-37-16-14-33/h2-6,17-20,28,30H,7-16H2,1H3,(H,29,36)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PI3Kbeta assessed as PIP3 production by AlphaScreen assay

Bioorg Med Chem Lett 24: 3936-43 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.007
BindingDB Entry DOI: 10.7270/Q2BP04F3
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))		BDBM50395821
PNG
(CHEMBL2165191)
Show SMILES C[C@@H](Nc1ccccc1C(O)=O)c1cc(C)cn2c1nc(cc2=O)N1CCOCC1 |r|
Show InChI InChI=1S/C22H24N4O4/c1-14-11-17(15(2)23-18-6-4-3-5-16(18)22(28)29)21-24-19(12-20(27)26(21)13-14)25-7-9-30-10-8-25/h3-6,11-13,15,23H,7-10H2,1-2H3,(H,28,29)/t15-/m1/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PI3Kdelta assessed as PIP3 production by AlphaScreen assay

Bioorg Med Chem Lett 24: 3936-43 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.007
BindingDB Entry DOI: 10.7270/Q2BP04F3
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))		BDBM50052813
PNG
(CHEMBL3318706)
Show SMILES C[C@@H](Nc1ccccc1C(=O)NO)c1cc(C)cn2c1nc(cc2=O)N1CCOCC1 |r|
Show InChI InChI=1S/C22H25N5O4/c1-14-11-17(15(2)23-18-6-4-3-5-16(18)22(29)25-30)21-24-19(12-20(28)27(21)13-14)26-7-9-31-10-8-26/h3-6,11-13,15,23,30H,7-10H2,1-2H3,(H,25,29)/t15-/m1/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PI3Kbeta assessed as PIP3 production by AlphaScreen assay

Bioorg Med Chem Lett 24: 3936-43 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.007
BindingDB Entry DOI: 10.7270/Q2BP04F3
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))		BDBM50395813
PNG
(CHEMBL2165180)
Show SMILES OCCN(Cc1cccc2ccccc12)c1cc(nc(=O)[nH]1)N1CCOCC1
Show InChI InChI=1S/C21H24N4O3/c26-11-8-25(15-17-6-3-5-16-4-1-2-7-18(16)17)20-14-19(22-21(27)23-20)24-9-12-28-13-10-24/h1-7,14,26H,8-13,15H2,(H,22,23,27)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6-tagged PI3K p110beta expressed in baculovirus infected cells using DiC8-PI(4,5)P2 as substrate after 20 mins by ...

Bioorg Med Chem Lett 22: 6671-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.102
BindingDB Entry DOI: 10.7270/Q2445NKM
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))		BDBM50395812
PNG
(CHEMBL2165181)
Show SMILES OCCCN(Cc1cccc2ccccc12)c1cc(nc(=O)[nH]1)N1CCOCC1
Show InChI InChI=1S/C22H26N4O3/c27-12-4-9-26(16-18-7-3-6-17-5-1-2-8-19(17)18)21-15-20(23-22(28)24-21)25-10-13-29-14-11-25/h1-3,5-8,15,27H,4,9-14,16H2,(H,23,24,28)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6-tagged PI3K p110beta expressed in baculovirus infected cells using DiC8-PI(4,5)P2 as substrate after 20 mins by ...

Bioorg Med Chem Lett 22: 6671-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.102
BindingDB Entry DOI: 10.7270/Q2445NKM
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))		BDBM50052823
PNG
(CHEMBL3318718)
Show SMILES CC(Oc1ccccc1C)c1cc(cn2c1nc(cc2=O)N1CCOCC1)C(=O)N(C)CCO
Show InChI InChI=1S/C25H30N4O5/c1-17-6-4-5-7-21(17)34-18(2)20-14-19(25(32)27(3)8-11-30)16-29-23(31)15-22(26-24(20)29)28-9-12-33-13-10-28/h4-7,14-16,18,30H,8-13H2,1-3H3
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PI3Kbeta assessed as PIP3 production by AlphaScreen assay

Bioorg Med Chem Lett 24: 3936-43 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.007
BindingDB Entry DOI: 10.7270/Q2BP04F3
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))		BDBM50395815
PNG
(CHEMBL2165178)
Show SMILES CCN(Cc1cccc2ccccc12)c1cc(nc(=O)[nH]1)N1CCOCC1
Show InChI InChI=1S/C21H24N4O2/c1-2-24(15-17-8-5-7-16-6-3-4-9-18(16)17)19-14-20(23-21(26)22-19)25-10-12-27-13-11-25/h3-9,14H,2,10-13,15H2,1H3,(H,22,23,26)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6-tagged PI3K p110beta expressed in baculovirus infected cells using DiC8-PI(4,5)P2 as substrate after 20 mins by ...

Bioorg Med Chem Lett 22: 6671-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.102
BindingDB Entry DOI: 10.7270/Q2445NKM
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))		BDBM50052827
PNG
(CHEMBL3318713)
Show SMILES CC(Nc1ccccc1)c1cc(cn2c1nc(cc2=O)N1CCOCC1)C(=O)N1CCOCC1
Show InChI InChI=1S/C25H29N5O4/c1-18(26-20-5-3-2-4-6-20)21-15-19(25(32)29-9-13-34-14-10-29)17-30-23(31)16-22(27-24(21)30)28-7-11-33-12-8-28/h2-6,15-18,26H,7-14H2,1H3
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PI3Kbeta assessed as PIP3 production by AlphaScreen assay

Bioorg Med Chem Lett 24: 3936-43 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.007
BindingDB Entry DOI: 10.7270/Q2BP04F3
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))		BDBM50395810
PNG
(CHEMBL2165183)
Show SMILES CC(O)CN(Cc1cccc2ccccc12)c1cc(nc(=O)[nH]1)N1CCOCC1
Show InChI InChI=1S/C22H26N4O3/c1-16(27)14-26(15-18-7-4-6-17-5-2-3-8-19(17)18)21-13-20(23-22(28)24-21)25-9-11-29-12-10-25/h2-8,13,16,27H,9-12,14-15H2,1H3,(H,23,24,28)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6-tagged PI3K p110beta expressed in baculovirus infected cells using DiC8-PI(4,5)P2 as substrate after 20 mins by ...

Bioorg Med Chem Lett 22: 6671-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.102
BindingDB Entry DOI: 10.7270/Q2445NKM
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))		BDBM50052811
PNG
(CHEMBL3318708)
Show SMILES C[C@@H](Nc1ccccc1C(=O)NS(C)(=O)=O)c1cc(C)cn2c1nc(cc2=O)N1CCOCC1 |r|
Show InChI InChI=1S/C23H27N5O5S/c1-15-12-18(16(2)24-19-7-5-4-6-17(19)23(30)26-34(3,31)32)22-25-20(13-21(29)28(22)14-15)27-8-10-33-11-9-27/h4-7,12-14,16,24H,8-11H2,1-3H3,(H,26,30)/t16-/m1/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PI3Kalpha assessed as PIP3 production by AlphaScreen assay

Bioorg Med Chem Lett 24: 3936-43 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.007
BindingDB Entry DOI: 10.7270/Q2BP04F3
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))		BDBM50395802
PNG
(CHEMBL2165189)
Show SMILES C[C@H]1CN(CCO1)c1cc([nH]c(=O)n1)N(CCO)Cc1cccc2ccccc12 |r|
Show InChI InChI=1S/C22H26N4O3/c1-16-14-26(10-12-29-16)21-13-20(23-22(28)24-21)25(9-11-27)15-18-7-4-6-17-5-2-3-8-19(17)18/h2-8,13,16,27H,9-12,14-15H2,1H3,(H,23,24,28)/t16-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6-tagged PI3K p110delta expressed in baculovirus infected cells using DiC8-PI(4,5)P2 as substrate after 20 mins by...

Bioorg Med Chem Lett 22: 6671-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.102
BindingDB Entry DOI: 10.7270/Q2445NKM
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))		BDBM50052822
PNG
(CHEMBL3318721)
Show SMILES CC(Oc1cccc(C)c1)c1cc(cn2c1nc(cc2=O)N1CCOCC1)C(=O)N(C)CCO
Show InChI InChI=1S/C25H30N4O5/c1-17-5-4-6-20(13-17)34-18(2)21-14-19(25(32)27(3)7-10-30)16-29-23(31)15-22(26-24(21)29)28-8-11-33-12-9-28/h4-6,13-16,18,30H,7-12H2,1-3H3
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PI3Kbeta assessed as PIP3 production by AlphaScreen assay

Bioorg Med Chem Lett 24: 3936-43 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.007
BindingDB Entry DOI: 10.7270/Q2BP04F3
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))		BDBM50052824
PNG
(CHEMBL3318717)
Show SMILES CC(Oc1ccccc1)c1cc(cn2c1nc(cc2=O)N1CCOCC1)C(=O)N(C)CCO
Show InChI InChI=1S/C24H28N4O5/c1-17(33-19-6-4-3-5-7-19)20-14-18(24(31)26(2)8-11-29)16-28-22(30)15-21(25-23(20)28)27-9-12-32-13-10-27/h3-7,14-17,29H,8-13H2,1-2H3
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PI3Kbeta assessed as PIP3 production by AlphaScreen assay

Bioorg Med Chem Lett 24: 3936-43 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.007
BindingDB Entry DOI: 10.7270/Q2BP04F3
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))		BDBM50395802
PNG
(CHEMBL2165189)
Show SMILES C[C@H]1CN(CCO1)c1cc([nH]c(=O)n1)N(CCO)Cc1cccc2ccccc12 |r|
Show InChI InChI=1S/C22H26N4O3/c1-16-14-26(10-12-29-16)21-13-20(23-22(28)24-21)25(9-11-27)15-18-7-4-6-17-5-2-3-8-19(17)18/h2-8,13,16,27H,9-12,14-15H2,1H3,(H,23,24,28)/t16-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human PI3K p110beta-mediated AKT phosphorylation at Ser473 in MDA-MB-468 cells after 2 hrs by fluorescence microplate cytometric analys...

Bioorg Med Chem Lett 22: 6671-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.102
BindingDB Entry DOI: 10.7270/Q2445NKM
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))		BDBM50395811
PNG
(CHEMBL2165182)
Show SMILES OCCCCN(Cc1cccc2ccccc12)c1cc(nc(=O)[nH]1)N1CCOCC1
Show InChI InChI=1S/C23H28N4O3/c28-13-4-3-10-27(17-19-8-5-7-18-6-1-2-9-20(18)19)22-16-21(24-23(29)25-22)26-11-14-30-15-12-26/h1-2,5-9,16,28H,3-4,10-15,17H2,(H,24,25,29)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6-tagged PI3K p110beta expressed in baculovirus infected cells using DiC8-PI(4,5)P2 as substrate after 20 mins by ...

Bioorg Med Chem Lett 22: 6671-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.102
BindingDB Entry DOI: 10.7270/Q2445NKM
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))		BDBM50052817
PNG
(CHEMBL3318726)
Show SMILES CC(Oc1ccc(F)c(C)c1)c1cc(cn2c1nc(cc2=O)N1CCOCC1)C(=O)N(C)CCO
Show InChI InChI=1S/C25H29FN4O5/c1-16-12-19(4-5-21(16)26)35-17(2)20-13-18(25(33)28(3)6-9-31)15-30-23(32)14-22(27-24(20)30)29-7-10-34-11-8-29/h4-5,12-15,17,31H,6-11H2,1-3H3
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PI3Kbeta assessed as PIP3 production by AlphaScreen assay

Bioorg Med Chem Lett 24: 3936-43 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.007
BindingDB Entry DOI: 10.7270/Q2BP04F3
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))		BDBM50395809
PNG
(CHEMBL2165184)
Show SMILES CCC(O)CN(Cc1cccc2ccccc12)c1cc(nc(=O)[nH]1)N1CCOCC1
Show InChI InChI=1S/C23H28N4O3/c1-2-19(28)16-27(15-18-8-5-7-17-6-3-4-9-20(17)18)22-14-21(24-23(29)25-22)26-10-12-30-13-11-26/h3-9,14,19,28H,2,10-13,15-16H2,1H3,(H,24,25,29)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6-tagged PI3K p110beta expressed in baculovirus infected cells using DiC8-PI(4,5)P2 as substrate after 20 mins by ...

Bioorg Med Chem Lett 22: 6671-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.102
BindingDB Entry DOI: 10.7270/Q2445NKM
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))		BDBM50052812
PNG
(CHEMBL3318707)
Show SMILES CC(Nc1ccccc1S(O)(=O)=O)c1cc(C)cn2c1nc(cc2=O)N1CCOCC1
Show InChI InChI=1S/C21H24N4O5S/c1-14-11-16(15(2)22-17-5-3-4-6-18(17)31(27,28)29)21-23-19(12-20(26)25(21)13-14)24-7-9-30-10-8-24/h3-6,11-13,15,22H,7-10H2,1-2H3,(H,27,28,29)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PI3Kalpha assessed as PIP3 production by AlphaScreen assay

Bioorg Med Chem Lett 24: 3936-43 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.007
BindingDB Entry DOI: 10.7270/Q2BP04F3
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))		BDBM50052826
PNG
(CHEMBL3318714)
Show SMILES CC(Nc1ccccc1)c1cc(cn2c1nc(cc2=O)N1CCOCC1)C(=O)N(C)CC(O)=O
Show InChI InChI=1S/C24H27N5O5/c1-16(25-18-6-4-3-5-7-18)19-12-17(24(33)27(2)15-22(31)32)14-29-21(30)13-20(26-23(19)29)28-8-10-34-11-9-28/h3-7,12-14,16,25H,8-11,15H2,1-2H3,(H,31,32)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PI3Kbeta assessed as PIP3 production by AlphaScreen assay

Bioorg Med Chem Lett 24: 3936-43 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.007
BindingDB Entry DOI: 10.7270/Q2BP04F3
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))		BDBM50395803
PNG
(CHEMBL2165175)
Show SMILES Cc1cc(ccn1)-c1cc(=O)[nH]c(NCc2cccc3ccccc23)n1
Show InChI InChI=1S/C21H18N4O/c1-14-11-16(9-10-22-14)19-12-20(26)25-21(24-19)23-13-17-7-4-6-15-5-2-3-8-18(15)17/h2-12H,13H2,1H3,(H2,23,24,25,26)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9

Bioorg Med Chem Lett 22: 6671-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.102
BindingDB Entry DOI: 10.7270/Q2445NKM
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))		BDBM50052819
PNG
(CHEMBL3318724)
Show SMILES COc1ccccc1OC(C)c1cc(cn2c1nc(cc2=O)N1CCOCC1)C(=O)N(C)CCO
Show InChI InChI=1S/C25H30N4O6/c1-17(35-21-7-5-4-6-20(21)33-3)19-14-18(25(32)27(2)8-11-30)16-29-23(31)15-22(26-24(19)29)28-9-12-34-13-10-28/h4-7,14-17,30H,8-13H2,1-3H3
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n/an/a 400n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PI3Kbeta assessed as PIP3 production by AlphaScreen assay

Bioorg Med Chem Lett 24: 3936-43 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.007
BindingDB Entry DOI: 10.7270/Q2BP04F3
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))		BDBM50052809
PNG
(CHEMBL3318728)
Show SMILES C[C@@H](Oc1ccccc1)c1cc(cn2c1nc(cc2=O)N1CCOCC1)C(=O)N(C)CCO |r|
Show InChI InChI=1S/C24H28N4O5/c1-17(33-19-6-4-3-5-7-19)20-14-18(24(31)26(2)8-11-29)16-28-22(30)15-21(25-23(20)28)27-9-12-32-13-10-27/h3-7,14-17,29H,8-13H2,1-2H3/t17-/m1/s1
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n/an/a 400n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PI3Kdelta assessed as PIP3 production by AlphaScreen assay

Bioorg Med Chem Lett 24: 3936-43 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.007
BindingDB Entry DOI: 10.7270/Q2BP04F3
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))		BDBM50052816
PNG
(CHEMBL3318727)
Show SMILES CC(Oc1cccc(F)c1C)c1cc(cn2c1nc(cc2=O)N1CCOCC1)C(=O)N(C)CCO
Show InChI InChI=1S/C25H29FN4O5/c1-16-20(26)5-4-6-21(16)35-17(2)19-13-18(25(33)28(3)7-10-31)15-30-23(32)14-22(27-24(19)30)29-8-11-34-12-9-29/h4-6,13-15,17,31H,7-12H2,1-3H3
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n/an/a 600n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PI3Kalpha assessed as PIP3 production by AlphaScreen assay

Bioorg Med Chem Lett 24: 3936-43 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.007
BindingDB Entry DOI: 10.7270/Q2BP04F3
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))		BDBM50395816
PNG
(CHEMBL2165177)
Show SMILES CN(Cc1cccc2ccccc12)c1cc(nc(=O)[nH]1)N1CCOCC1
Show InChI InChI=1S/C20H22N4O2/c1-23(14-16-7-4-6-15-5-2-3-8-17(15)16)18-13-19(22-20(25)21-18)24-9-11-26-12-10-24/h2-8,13H,9-12,14H2,1H3,(H,21,22,25)
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n/an/a 600n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6-tagged PI3K p110beta expressed in baculovirus infected cells using DiC8-PI(4,5)P2 as substrate after 20 mins by ...

Bioorg Med Chem Lett 22: 6671-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.102
BindingDB Entry DOI: 10.7270/Q2445NKM
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))		BDBM50052829
PNG
(CHEMBL3318710)
Show SMILES CC(Nc1ccccc1)c1cc(cn2c1nc(cc2=O)N1CCOCC1)C(O)=O
Show InChI InChI=1S/C21H22N4O4/c1-14(22-16-5-3-2-4-6-16)17-11-15(21(27)28)13-25-19(26)12-18(23-20(17)25)24-7-9-29-10-8-24/h2-6,11-14,22H,7-10H2,1H3,(H,27,28)
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n/an/a 610n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PI3Kalpha assessed as PIP3 production by AlphaScreen assay

Bioorg Med Chem Lett 24: 3936-43 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.007
BindingDB Entry DOI: 10.7270/Q2BP04F3
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))		BDBM50052821
PNG
(CHEMBL3318722)
Show SMILES CC(Oc1ccccc1F)c1cc(cn2c1nc(cc2=O)N1CCOCC1)C(=O)N(C)CCO
Show InChI InChI=1S/C24H27FN4O5/c1-16(34-20-6-4-3-5-19(20)25)18-13-17(24(32)27(2)7-10-30)15-29-22(31)14-21(26-23(18)29)28-8-11-33-12-9-28/h3-6,13-16,30H,7-12H2,1-2H3
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n/an/a 660n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PI3Kbeta assessed as PIP3 production by AlphaScreen assay

Bioorg Med Chem Lett 24: 3936-43 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.007
BindingDB Entry DOI: 10.7270/Q2BP04F3
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM50395803
PNG
(CHEMBL2165175)
Show SMILES Cc1cc(ccn1)-c1cc(=O)[nH]c(NCc2cccc3ccccc23)n1
Show InChI InChI=1S/C21H18N4O/c1-14-11-16(9-10-22-14)19-12-20(26)25-21(24-19)23-13-17-7-4-6-15-5-2-3-8-18(15)17/h2-12H,13H2,1H3,(H2,23,24,25,26)
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n/an/a 700n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4

Bioorg Med Chem Lett 22: 6671-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.102
BindingDB Entry DOI: 10.7270/Q2445NKM
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))		BDBM50395803
PNG
(CHEMBL2165175)
Show SMILES Cc1cc(ccn1)-c1cc(=O)[nH]c(NCc2cccc3ccccc23)n1
Show InChI InChI=1S/C21H18N4O/c1-14-11-16(9-10-22-14)19-12-20(26)25-21(24-19)23-13-17-7-4-6-15-5-2-3-8-18(15)17/h2-12H,13H2,1H3,(H2,23,24,25,26)
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n/an/a 840n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6-tagged PI3K p110alpha expressed in baculovirus infected cells using DiC8-PI(4,5)P2 as substrate after 20 mins by...

Bioorg Med Chem Lett 22: 6671-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.102
BindingDB Entry DOI: 10.7270/Q2445NKM
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))		BDBM50395821
PNG
(CHEMBL2165191)
Show SMILES C[C@@H](Nc1ccccc1C(O)=O)c1cc(C)cn2c1nc(cc2=O)N1CCOCC1 |r|
Show InChI InChI=1S/C22H24N4O4/c1-14-11-17(15(2)23-18-6-4-3-5-16(18)22(28)29)21-24-19(12-20(27)26(21)13-14)25-7-9-30-10-8-25/h3-6,11-13,15,23H,7-10H2,1-2H3,(H,28,29)/t15-/m1/s1
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n/an/a 870n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6-tagged PI3K p110alpha expressed in baculovirus infected cells using DiC8-PI(4,5)P2 as substrate after 20 mins by...

Bioorg Med Chem Lett 22: 6671-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.102
BindingDB Entry DOI: 10.7270/Q2445NKM
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))		BDBM50395821
PNG
(CHEMBL2165191)
Show SMILES C[C@@H](Nc1ccccc1C(O)=O)c1cc(C)cn2c1nc(cc2=O)N1CCOCC1 |r|
Show InChI InChI=1S/C22H24N4O4/c1-14-11-17(15(2)23-18-6-4-3-5-16(18)22(28)29)21-24-19(12-20(27)26(21)13-14)25-7-9-30-10-8-25/h3-6,11-13,15,23H,7-10H2,1-2H3,(H,28,29)/t15-/m1/s1
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n/an/a 870n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PI3Kalpha assessed as PIP3 production by AlphaScreen assay

Bioorg Med Chem Lett 24: 3936-43 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.007
BindingDB Entry DOI: 10.7270/Q2BP04F3
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))		BDBM50395814
PNG
(CHEMBL2165179)
Show SMILES O=c1nc(cc([nH]1)N(Cc1cccc2ccccc12)C1CC1)N1CCOCC1
Show InChI InChI=1S/C22H24N4O2/c27-22-23-20(25-10-12-28-13-11-25)14-21(24-22)26(18-8-9-18)15-17-6-3-5-16-4-1-2-7-19(16)17/h1-7,14,18H,8-13,15H2,(H,23,24,27)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6-tagged PI3K p110beta expressed in baculovirus infected cells using DiC8-PI(4,5)P2 as substrate after 20 mins by ...

Bioorg Med Chem Lett 22: 6671-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.102
BindingDB Entry DOI: 10.7270/Q2445NKM
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))		BDBM50395808
PNG
(CHEMBL2165185)
Show SMILES OC(CN(Cc1cccc2ccccc12)c1cc(nc(=O)[nH]1)N1CCOCC1)C(F)(F)F
Show InChI InChI=1S/C22H23F3N4O3/c23-22(24,25)18(30)14-29(13-16-6-3-5-15-4-1-2-7-17(15)16)20-12-19(26-21(31)27-20)28-8-10-32-11-9-28/h1-7,12,18,30H,8-11,13-14H2,(H,26,27,31)
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n/an/a 980n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6-tagged PI3K p110beta expressed in baculovirus infected cells using DiC8-PI(4,5)P2 as substrate after 20 mins by ...

Bioorg Med Chem Lett 22: 6671-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.102
BindingDB Entry DOI: 10.7270/Q2445NKM
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))		BDBM50395804
PNG
(CHEMBL2165190)
Show SMILES C[C@@H]1CN(CCO1)c1cc([nH]c(=O)n1)N(CCO)Cc1cccc2ccccc12 |r|
Show InChI InChI=1S/C22H26N4O3/c1-16-14-26(10-12-29-16)21-13-20(23-22(28)24-21)25(9-11-27)15-18-7-4-6-17-5-2-3-8-19(17)18/h2-8,13,16,27H,9-12,14-15H2,1H3,(H,23,24,28)/t16-/m1/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6-tagged PI3K p110beta expressed in baculovirus infected cells using DiC8-PI(4,5)P2 as substrate after 20 mins by ...

Bioorg Med Chem Lett 22: 6671-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.102
BindingDB Entry DOI: 10.7270/Q2445NKM
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))		BDBM50395821
PNG
(CHEMBL2165191)
Show SMILES C[C@@H](Nc1ccccc1C(O)=O)c1cc(C)cn2c1nc(cc2=O)N1CCOCC1 |r|
Show InChI InChI=1S/C22H24N4O4/c1-14-11-17(15(2)23-18-6-4-3-5-16(18)22(28)29)21-24-19(12-20(27)26(21)13-14)25-7-9-30-10-8-25/h3-6,11-13,15,23H,7-10H2,1-2H3,(H,28,29)/t15-/m1/s1
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n/an/a 1.09E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PI3Kgamma assessed as PIP3 production by AlphaScreen assay

Bioorg Med Chem Lett 24: 3936-43 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.007
BindingDB Entry DOI: 10.7270/Q2BP04F3
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
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