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Compile Data Set for Download or QSAR

Found 474 hits with Last Name = 'cosulich' and Initial = 's'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50070262
PNG
(CHEMBL3408270 | US9718800, 9.02b)
Show SMILES C[C@@H](Nc1cc(F)cc(F)c1)c1cc(cc2c1oc(cc2=O)N1CCO[C@@H](C)C1)C(=O)N(C)C
Show InChI InChI=1S/C25H27F2N3O4/c1-14-13-30(5-6-33-14)23-12-22(31)21-8-16(25(32)29(3)4)7-20(24(21)34-23)15(2)28-19-10-17(26)9-18(27)11-19/h7-12,14-15,28H,5-6,13H2,1-4H3/t14-,15+/m0/s1
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n/an/a 0.400n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta in PTEN-null human MDA-MB-468 cells assessed as inhibition of Akt phosphorylation after 2 hrs


J Med Chem 58: 943-62 (2015)


Article DOI: 10.1021/jm501629p
BindingDB Entry DOI: 10.7270/Q2VT1TS8
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50070324
PNG
(CHEMBL3408252)
Show SMILES C[C@@H](Nc1cc(F)cc(Cl)c1)c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N(C)C
Show InChI InChI=1S/C24H25ClFN3O4/c1-14(27-18-11-16(25)10-17(26)12-18)19-8-15(24(31)28(2)3)9-20-21(30)13-22(33-23(19)20)29-4-6-32-7-5-29/h8-14,27H,4-7H2,1-3H3/t14-/m1/s1
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n/an/a 1n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta in PTEN-null human MDA-MB-468 cells assessed as inhibition of Akt phosphorylation after 2 hrs


J Med Chem 58: 943-62 (2015)


Article DOI: 10.1021/jm501629p
BindingDB Entry DOI: 10.7270/Q2VT1TS8
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50239117
PNG
(CHEMBL4060768)
Show SMILES Fc1cc(F)cc(c1)N1CCC[C@@H]1c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N1CCOCC1
Show InChI InChI=1S/C28H29F2N3O5/c29-19-14-20(30)16-21(15-19)33-3-1-2-24(33)22-12-18(28(35)32-6-10-37-11-7-32)13-23-25(34)17-26(38-27(22)23)31-4-8-36-9-5-31/h12-17,24H,1-11H2/t24-/m1/s1
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n/an/a 1.10n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta in PTEN-deficient human MDA-MB-468 cells assessed as decrease in AKT phosphorylation at Ser473 measured after 2 hrs


Bioorg Med Chem Lett 27: 1949-1954 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.027
BindingDB Entry DOI: 10.7270/Q2SB47W8
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50239122
PNG
(CHEMBL4094771)
Show SMILES CN(C)C(=O)c1cc(C2CCCN2c2cc(F)cc(F)c2)c2oc(cc(=O)c2c1)N1CCOCC1
Show InChI InChI=1S/C26H27F2N3O4/c1-29(2)26(33)16-10-20(22-4-3-5-31(22)19-13-17(27)12-18(28)14-19)25-21(11-16)23(32)15-24(35-25)30-6-8-34-9-7-30/h10-15,22H,3-9H2,1-2H3
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n/an/a 1.20n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta in PTEN-deficient human MDA-MB-468 cells assessed as decrease in AKT phosphorylation at Ser473 measured after 2 hrs


Bioorg Med Chem Lett 27: 1949-1954 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.027
BindingDB Entry DOI: 10.7270/Q2SB47W8
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50239123
PNG
(CHEMBL4078233)
Show SMILES CN(C)C(=O)c1cc([C@H]2CCCN2c2cccc(F)c2)c2oc(cc(=O)c2c1)N1CCOCC1
Show InChI InChI=1S/C26H28FN3O4/c1-28(2)26(32)17-13-20(22-7-4-8-30(22)19-6-3-5-18(27)15-19)25-21(14-17)23(31)16-24(34-25)29-9-11-33-12-10-29/h3,5-6,13-16,22H,4,7-12H2,1-2H3/t22-/m1/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta in PTEN-deficient human MDA-MB-468 cells assessed as decrease in AKT phosphorylation at Ser473 measured after 2 hrs


Bioorg Med Chem Lett 27: 1949-1954 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.027
BindingDB Entry DOI: 10.7270/Q2SB47W8
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50239120
PNG
(CHEMBL4101005)
Show SMILES Fc1cc(F)cc(c1)N1CCC[C@@H]1c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N1CC1
Show InChI InChI=1S/C26H25F2N3O4/c27-17-12-18(28)14-19(13-17)31-3-1-2-22(31)20-10-16(26(33)30-4-5-30)11-21-23(32)15-24(35-25(20)21)29-6-8-34-9-7-29/h10-15,22H,1-9H2/t22-/m1/s1
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n/an/a 1.40n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta in PTEN-deficient human MDA-MB-468 cells assessed as decrease in AKT phosphorylation at Ser473 measured after 2 hrs


Bioorg Med Chem Lett 27: 1949-1954 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.027
BindingDB Entry DOI: 10.7270/Q2SB47W8
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50239126
PNG
(CHEMBL4067312)
Show SMILES CN(CCO)C(=O)c1cc(C2CCCN2c2cc(F)cc(F)c2)c2oc(cc(=O)c2c1)N1CCOCC1
Show InChI InChI=1S/C27H29F2N3O5/c1-30(5-8-33)27(35)17-11-21(23-3-2-4-32(23)20-14-18(28)13-19(29)15-20)26-22(12-17)24(34)16-25(37-26)31-6-9-36-10-7-31/h11-16,23,33H,2-10H2,1H3
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta in PTEN-deficient human MDA-MB-468 cells assessed as decrease in AKT phosphorylation at Ser473 measured after 2 hrs


Bioorg Med Chem Lett 27: 1949-1954 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.027
BindingDB Entry DOI: 10.7270/Q2SB47W8
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50500917
PNG
(CHEMBL3797698)
Show SMILES C[C@@H]1CN(CCO1)c1cc(=O)c2cc(cc(CN(C)c3cc(F)cc(F)c3)c2o1)C(=O)N(C)C
Show InChI InChI=1S/C25H27F2N3O4/c1-15-13-30(5-6-33-15)23-12-22(31)21-8-16(25(32)28(2)3)7-17(24(21)34-23)14-29(4)20-10-18(26)9-19(27)11-20/h7-12,15H,5-6,13-14H2,1-4H3/t15-/m1/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta in PTEN deficient human MDA-MB-468 cells assessed as inhibition of AKT phosphorylation at Ser-473 residue after 2 hrs by plate...


Bioorg Med Chem Lett 26: 2318-23 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.034
BindingDB Entry DOI: 10.7270/Q2W098ZZ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50500920
PNG
(CHEMBL3798914)
Show SMILES C[C@@H]1CN(CCO1)c1cc(=O)c2cc(cc(CN3CCOc4c(F)cccc34)c2o1)C(=O)N(C)C
Show InChI InChI=1S/C26H28FN3O5/c1-16-14-30(8-9-33-16)23-13-22(31)19-12-17(26(32)28(2)3)11-18(24(19)35-23)15-29-7-10-34-25-20(27)5-4-6-21(25)29/h4-6,11-13,16H,7-10,14-15H2,1-3H3/t16-/m1/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta in PTEN deficient human MDA-MB-468 cells assessed as inhibition of AKT phosphorylation at Ser-473 residue after 2 hrs by plate...


Bioorg Med Chem Lett 26: 2318-23 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.034
BindingDB Entry DOI: 10.7270/Q2W098ZZ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM119283
PNG
(US8673906, 4.02 | US9718800, 4.02)
Show SMILES CC(Nc1cc(F)cc(F)c1)c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N1CCCC1
Show InChI InChI=1S/C26H27F2N3O4/c1-16(29-20-13-18(27)12-19(28)14-20)21-10-17(26(33)31-4-2-3-5-31)11-22-23(32)15-24(35-25(21)22)30-6-8-34-9-7-30/h10-16,29H,2-9H2,1H3
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta in PTEN-null human MDA-MB-468 cells assessed as inhibition of Akt phosphorylation after 2 hrs


J Med Chem 58: 943-62 (2015)


Article DOI: 10.1021/jm501629p
BindingDB Entry DOI: 10.7270/Q2VT1TS8
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50048722
PNG
(CHEMBL3319646)
Show SMILES CC(Nc1cccc(F)c1)c1cc(cn2c1nc(cc2=O)N1CCOCC1)C(=O)NCCN(C)C
Show InChI InChI=1S/C25H31FN6O3/c1-17(28-20-6-4-5-19(26)14-20)21-13-18(25(34)27-7-8-30(2)3)16-32-23(33)15-22(29-24(21)32)31-9-11-35-12-10-31/h4-6,13-17,28H,7-12H2,1-3H3,(H,27,34)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta in human MAD-MB-468 cells assessed as inhibition of Ser473 Akt phosphorylation by cellular potency assay


Bioorg Med Chem Lett 24: 3928-35 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.040
BindingDB Entry DOI: 10.7270/Q2BZ67PH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50070327
PNG
(CHEMBL3408262)
Show SMILES C[C@@H](Nc1cc(F)cc(F)c1)c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N1CCC1
Show InChI InChI=1S/C25H25F2N3O4/c1-15(28-19-12-17(26)11-18(27)13-19)20-9-16(25(32)30-3-2-4-30)10-21-22(31)14-23(34-24(20)21)29-5-7-33-8-6-29/h9-15,28H,2-8H2,1H3/t15-/m1/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta in PTEN-null human MDA-MB-468 cells assessed as inhibition of Akt phosphorylation after 2 hrs


J Med Chem 58: 943-62 (2015)


Article DOI: 10.1021/jm501629p
BindingDB Entry DOI: 10.7270/Q2VT1TS8
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50239121
PNG
(CHEMBL4082650)
Show SMILES CN1CCN(CC1)C(=O)c1cc([C@H]2CCCN2c2cc(F)cc(F)c2)c2oc(cc(=O)c2c1)N1CCOCC1
Show InChI InChI=1S/C29H32F2N4O4/c1-32-5-7-34(8-6-32)29(37)19-13-23(25-3-2-4-35(25)22-16-20(30)15-21(31)17-22)28-24(14-19)26(36)18-27(39-28)33-9-11-38-12-10-33/h13-18,25H,2-12H2,1H3/t25-/m1/s1
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n/an/a 2.30n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta in PTEN-deficient human MDA-MB-468 cells assessed as decrease in AKT phosphorylation at Ser473 measured after 2 hrs


Bioorg Med Chem Lett 27: 1949-1954 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.027
BindingDB Entry DOI: 10.7270/Q2SB47W8
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50239118
PNG
(CHEMBL4090811)
Show SMILES Fc1cccc(c1)N1CCC[C@@H]1c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N1CCOCC1
Show InChI InChI=1S/C28H30FN3O5/c29-20-3-1-4-21(17-20)32-6-2-5-24(32)22-15-19(28(34)31-9-13-36-14-10-31)16-23-25(33)18-26(37-27(22)23)30-7-11-35-12-8-30/h1,3-4,15-18,24H,2,5-14H2/t24-/m1/s1
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n/an/a 2.80n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta in PTEN-deficient human MDA-MB-468 cells assessed as decrease in AKT phosphorylation at Ser473 measured after 2 hrs


Bioorg Med Chem Lett 27: 1949-1954 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.027
BindingDB Entry DOI: 10.7270/Q2SB47W8
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50500918
PNG
(CHEMBL3799511)
Show SMILES C[C@@H]1CN(CCO1)c1cc(=O)c2cc(cc(CN3CCOc4ccc(F)cc34)c2o1)C(=O)N(C)C
Show InChI InChI=1S/C26H28FN3O5/c1-16-14-30(7-8-33-16)24-13-22(31)20-11-17(26(32)28(2)3)10-18(25(20)35-24)15-29-6-9-34-23-5-4-19(27)12-21(23)29/h4-5,10-13,16H,6-9,14-15H2,1-3H3/t16-/m1/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta in PTEN deficient human MDA-MB-468 cells assessed as inhibition of AKT phosphorylation at Ser-473 residue after 2 hrs by plate...


Bioorg Med Chem Lett 26: 2318-23 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.034
BindingDB Entry DOI: 10.7270/Q2W098ZZ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50239125
PNG
(CHEMBL4083021)
Show SMILES OC1CCN(CC1)C(=O)c1cc(C2CCCN2c2cc(F)cc(F)c2)c2oc(cc(=O)c2c1)N1CCOCC1
Show InChI InChI=1S/C29H31F2N3O5/c30-19-14-20(31)16-21(15-19)34-5-1-2-25(34)23-12-18(29(37)33-6-3-22(35)4-7-33)13-24-26(36)17-27(39-28(23)24)32-8-10-38-11-9-32/h12-17,22,25,35H,1-11H2
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta in PTEN-deficient human MDA-MB-468 cells assessed as decrease in AKT phosphorylation at Ser473 measured after 2 hrs


Bioorg Med Chem Lett 27: 1949-1954 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.027
BindingDB Entry DOI: 10.7270/Q2SB47W8
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50500922
PNG
(CHEMBL3797812)
Show SMILES C[C@@H]1CN(CCO1)c1cc(=O)c2cc(cc(CN3CCOc4c(F)cc(F)cc34)c2o1)C(=O)N(C)C
Show InChI InChI=1S/C26H27F2N3O5/c1-15-13-31(5-6-34-15)23-12-22(32)19-9-16(26(33)29(2)3)8-17(24(19)36-23)14-30-4-7-35-25-20(28)10-18(27)11-21(25)30/h8-12,15H,4-7,13-14H2,1-3H3/t15-/m1/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta in PTEN deficient human MDA-MB-468 cells assessed as inhibition of AKT phosphorylation at Ser-473 residue after 2 hrs by plate...


Bioorg Med Chem Lett 26: 2318-23 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.034
BindingDB Entry DOI: 10.7270/Q2W098ZZ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50048713
PNG
(CHEMBL3319490)
Show SMILES C[C@@H](Nc1cc(F)cc(F)c1)c1cc(cn2c1nc(cc2=O)N1CCOCC1)C(=O)N(C)C
Show InChI InChI=1S/C23H25F2N5O3/c1-14(26-18-10-16(24)9-17(25)11-18)19-8-15(23(32)28(2)3)13-30-21(31)12-20(27-22(19)30)29-4-6-33-7-5-29/h8-14,26H,4-7H2,1-3H3/t14-/m1/s1
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n/an/a 3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta in human MAD-MB-468 cells assessed as inhibition of Ser473 Akt phosphorylation by cellular potency assay


Bioorg Med Chem Lett 24: 3928-35 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.040
BindingDB Entry DOI: 10.7270/Q2BZ67PH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50070322
PNG
(CHEMBL3408248 | US9718800, 3.06b)
Show SMILES C[C@@H](Nc1cc(F)cc(F)c1)c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N(C)C
Show InChI InChI=1S/C24H25F2N3O4/c1-14(27-18-11-16(25)10-17(26)12-18)19-8-15(24(31)28(2)3)9-20-21(30)13-22(33-23(19)20)29-4-6-32-7-5-29/h8-14,27H,4-7H2,1-3H3/t14-/m1/s1
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n/an/a 3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta in PTEN-null human MDA-MB-468 cells assessed as inhibition of Akt phosphorylation after 2 hrs


J Med Chem 58: 943-62 (2015)


Article DOI: 10.1021/jm501629p
BindingDB Entry DOI: 10.7270/Q2VT1TS8
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50070210
PNG
(CHEMBL3408267)
Show SMILES CNC(=O)c1cc([C@@H](C)Nc2cc(F)cc(F)c2)c2oc(cc(=O)c2c1)N1CCOCC1
Show InChI InChI=1S/C23H23F2N3O4/c1-13(27-17-10-15(24)9-16(25)11-17)18-7-14(23(30)26-2)8-19-20(29)12-21(32-22(18)19)28-3-5-31-6-4-28/h7-13,27H,3-6H2,1-2H3,(H,26,30)/t13-/m1/s1
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n/an/a 3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta in PTEN-null human MDA-MB-468 cells assessed as inhibition of Akt phosphorylation after 2 hrs


J Med Chem 58: 943-62 (2015)


Article DOI: 10.1021/jm501629p
BindingDB Entry DOI: 10.7270/Q2VT1TS8
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50239127
PNG
(CHEMBL4086125)
Show SMILES CN(C)C(=O)c1cc(C2CCCN2c2ccccc2)c2oc(cc(=O)c2c1)N1CCOCC1
Show InChI InChI=1S/C26H29N3O4/c1-27(2)26(31)18-15-20(22-9-6-10-29(22)19-7-4-3-5-8-19)25-21(16-18)23(30)17-24(33-25)28-11-13-32-14-12-28/h3-5,7-8,15-17,22H,6,9-14H2,1-2H3
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n/an/a 3.20n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta in PTEN-deficient human MDA-MB-468 cells assessed as decrease in AKT phosphorylation at Ser473 measured after 2 hrs


Bioorg Med Chem Lett 27: 1949-1954 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.027
BindingDB Entry DOI: 10.7270/Q2SB47W8
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50239124
PNG
(CHEMBL4102511)
Show SMILES CN(C)C(=O)c1cc([C@H]2CCCN2c2ccc(F)cc2)c2oc(cc(=O)c2c1)N1CCOCC1
Show InChI InChI=1S/C26H28FN3O4/c1-28(2)26(32)17-14-20(22-4-3-9-30(22)19-7-5-18(27)6-8-19)25-21(15-17)23(31)16-24(34-25)29-10-12-33-13-11-29/h5-8,14-16,22H,3-4,9-13H2,1-2H3/t22-/m1/s1
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n/an/a 3.40n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta in PTEN-deficient human MDA-MB-468 cells assessed as decrease in AKT phosphorylation at Ser473 measured after 2 hrs


Bioorg Med Chem Lett 27: 1949-1954 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.027
BindingDB Entry DOI: 10.7270/Q2SB47W8
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50500924
PNG
(CHEMBL3799158)
Show SMILES C[C@@H]1CN(CCO1)c1cc(=O)c2cc(cc(CN3CCOc4c(F)cccc34)c2o1)C(=O)N1CCOCC1
Show InChI InChI=1S/C28H30FN3O6/c1-18-16-32(8-11-36-18)25-15-24(33)21-14-19(28(34)30-5-9-35-10-6-30)13-20(26(21)38-25)17-31-7-12-37-27-22(29)3-2-4-23(27)31/h2-4,13-15,18H,5-12,16-17H2,1H3/t18-/m1/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta in PTEN deficient human MDA-MB-468 cells assessed as inhibition of AKT phosphorylation at Ser-473 residue after 2 hrs by plate...


Bioorg Med Chem Lett 26: 2318-23 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.034
BindingDB Entry DOI: 10.7270/Q2W098ZZ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50070322
PNG
(CHEMBL3408248 | US9718800, 3.06b)
Show SMILES C[C@@H](Nc1cc(F)cc(F)c1)c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N(C)C
Show InChI InChI=1S/C24H25F2N3O4/c1-14(27-18-11-16(25)10-17(26)12-18)19-8-15(24(31)28(2)3)9-20-21(30)13-22(33-23(19)20)29-4-6-32-7-5-29/h8-14,27H,4-7H2,1-3H3/t14-/m1/s1
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n/an/a 4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PI3Kbeta using PIP2 by Kinase-Glo Plus assay


J Med Chem 58: 943-62 (2015)


Article DOI: 10.1021/jm501629p
BindingDB Entry DOI: 10.7270/Q2VT1TS8
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50070262
PNG
(CHEMBL3408270 | US9718800, 9.02b)
Show SMILES C[C@@H](Nc1cc(F)cc(F)c1)c1cc(cc2c1oc(cc2=O)N1CCO[C@@H](C)C1)C(=O)N(C)C
Show InChI InChI=1S/C25H27F2N3O4/c1-14-13-30(5-6-33-14)23-12-22(31)21-8-16(25(32)29(3)4)7-20(24(21)34-23)15(2)28-19-10-17(26)9-18(27)11-19/h7-12,14-15,28H,5-6,13H2,1-4H3/t14-,15+/m0/s1
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n/an/a 4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PI3Kbeta using PIP2 by Kinase-Glo Plus assay


J Med Chem 58: 943-62 (2015)


Article DOI: 10.1021/jm501629p
BindingDB Entry DOI: 10.7270/Q2VT1TS8
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50070327
PNG
(CHEMBL3408262)
Show SMILES C[C@@H](Nc1cc(F)cc(F)c1)c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N1CCC1
Show InChI InChI=1S/C25H25F2N3O4/c1-15(28-19-12-17(26)11-18(27)13-19)20-9-16(25(32)30-3-2-4-30)10-21-22(31)14-23(34-24(20)21)29-5-7-33-8-6-29/h9-15,28H,2-8H2,1H3/t15-/m1/s1
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n/an/a 4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PI3Kbeta using PIP2 by Kinase-Glo Plus assay


J Med Chem 58: 943-62 (2015)


Article DOI: 10.1021/jm501629p
BindingDB Entry DOI: 10.7270/Q2VT1TS8
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50048710
PNG
(CHEMBL3319485)
Show SMILES CC(Nc1cccc(Cl)c1F)c1cc(cn2c1nc(cc2=O)N1CCOCC1)C(=O)NCCN(C)C
Show InChI InChI=1S/C25H30ClFN6O3/c1-16(29-20-6-4-5-19(26)23(20)27)18-13-17(25(35)28-7-8-31(2)3)15-33-22(34)14-21(30-24(18)33)32-9-11-36-12-10-32/h4-6,13-16,29H,7-12H2,1-3H3,(H,28,35)
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n/an/a 4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta in human MAD-MB-468 cells assessed as inhibition of Ser473 Akt phosphorylation by cellular potency assay


Bioorg Med Chem Lett 24: 3928-35 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.040
BindingDB Entry DOI: 10.7270/Q2BZ67PH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50239119
PNG
(CHEMBL4062879)
Show SMILES Fc1ccc(cc1)N1CCCC1c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N1CCOCC1
Show InChI InChI=1S/C28H30FN3O5/c29-20-3-5-21(6-4-20)32-7-1-2-24(32)22-16-19(28(34)31-10-14-36-15-11-31)17-23-25(33)18-26(37-27(22)23)30-8-12-35-13-9-30/h3-6,16-18,24H,1-2,7-15H2
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n/an/a 4.5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta in PTEN-deficient human MDA-MB-468 cells assessed as decrease in AKT phosphorylation at Ser473 measured after 2 hrs


Bioorg Med Chem Lett 27: 1949-1954 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.027
BindingDB Entry DOI: 10.7270/Q2SB47W8
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50500929
PNG
(CHEMBL3800231)
Show SMILES COCCN(Cc1cc(cc2c1oc(cc2=O)N1CCO[C@H](C)C1)C(=O)N(C)C)c1cc(F)cc(F)c1
Show InChI InChI=1S/C27H31F2N3O5/c1-17-15-32(6-8-36-17)25-14-24(33)23-10-18(27(34)30(2)3)9-19(26(23)37-25)16-31(5-7-35-4)22-12-20(28)11-21(29)13-22/h9-14,17H,5-8,15-16H2,1-4H3/t17-/m1/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta in PTEN deficient human MDA-MB-468 cells assessed as inhibition of AKT phosphorylation at Ser-473 residue after 2 hrs by plate...


Bioorg Med Chem Lett 26: 2318-23 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.034
BindingDB Entry DOI: 10.7270/Q2W098ZZ
More data for this
Ligand-Target Pair
GTPase KRas


(Homo sapiens (Human))
BDBM50527057
PNG
(CHEMBL4461434)
Show SMILES C[C@@H]1CN2[C@H](CN1C(=O)C=C)C(=O)N(C)c1cnc3c(F)c(c(Cl)cc3c21)-c1c(O)cccc1F
Show InChI InChI=1S/C25H21ClF2N4O3/c1-4-19(34)31-11-17-25(35)30(3)16-9-29-23-13(24(16)32(17)10-12(31)2)8-14(26)20(22(23)28)21-15(27)6-5-7-18(21)33/h4-9,12,17,33H,1,10-11H2,2-3H3/t12-,17-/m1/s1
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n/an/a<5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of GDP bound biotinylated human C-terminal Avi/His6-tagged KRAS G12C mutant (1 to 166 residues) expressed in Escherichia coli BL21 (DE3) a...


J Med Chem 63: 4468-4483 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01720
More data for this
Ligand-Target Pair
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



AstraZeneca

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))
BDBM50500917
PNG
(CHEMBL3797698)
Show SMILES C[C@@H]1CN(CCO1)c1cc(=O)c2cc(cc(CN(C)c3cc(F)cc(F)c3)c2o1)C(=O)N(C)C
Show InChI InChI=1S/C25H27F2N3O4/c1-15-13-30(5-6-33-15)23-12-22(31)21-8-16(25(32)28(2)3)7-17(24(21)34-23)14-29(4)20-10-18(26)9-19(27)11-20/h7-12,15H,5-6,13-14H2,1-4H3/t15-/m1/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PI3Kalpha using PIP2 as substrate preincubated for 20 mins followed by substrate addition measured after 80 mins by l...


Bioorg Med Chem Lett 26: 2318-23 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.034
BindingDB Entry DOI: 10.7270/Q2W098ZZ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50048713
PNG
(CHEMBL3319490)
Show SMILES C[C@@H](Nc1cc(F)cc(F)c1)c1cc(cn2c1nc(cc2=O)N1CCOCC1)C(=O)N(C)C
Show InChI InChI=1S/C23H25F2N5O3/c1-14(26-18-10-16(24)9-17(25)11-18)19-8-15(23(32)28(2)3)13-30-21(31)12-20(27-22(19)30)29-4-6-33-7-5-29/h8-14,26H,4-7H2,1-3H3/t14-/m1/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PI3Kbeta assessed as depletion of ATP substrate by Ultra Glo luciferase assay


Bioorg Med Chem Lett 24: 3928-35 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.040
BindingDB Entry DOI: 10.7270/Q2BZ67PH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50070325
PNG
(CHEMBL3408256)
Show SMILES C[C@@H](Nc1cc(F)c(F)c(F)c1)c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N(C)C
Show InChI InChI=1S/C24H24F3N3O4/c1-13(28-15-10-18(25)22(27)19(26)11-15)16-8-14(24(32)29(2)3)9-17-20(31)12-21(34-23(16)17)30-4-6-33-7-5-30/h8-13,28H,4-7H2,1-3H3/t13-/m1/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PI3Kbeta using PIP2 by Kinase-Glo Plus assay


J Med Chem 58: 943-62 (2015)


Article DOI: 10.1021/jm501629p
BindingDB Entry DOI: 10.7270/Q2VT1TS8
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50070324
PNG
(CHEMBL3408252)
Show SMILES C[C@@H](Nc1cc(F)cc(Cl)c1)c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N(C)C
Show InChI InChI=1S/C24H25ClFN3O4/c1-14(27-18-11-16(25)10-17(26)12-18)19-8-15(24(31)28(2)3)9-20-21(30)13-22(33-23(19)20)29-4-6-32-7-5-29/h8-14,27H,4-7H2,1-3H3/t14-/m1/s1
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n/an/a 5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PI3Kbeta using PIP2 by Kinase-Glo Plus assay


J Med Chem 58: 943-62 (2015)


Article DOI: 10.1021/jm501629p
BindingDB Entry DOI: 10.7270/Q2VT1TS8
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50070323
PNG
(CHEMBL3408250 | US9718800, 3.04b)
Show SMILES C[C@@H](Nc1cccc(Cl)c1F)c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N(C)C
Show InChI InChI=1S/C24H25ClFN3O4/c1-14(27-19-6-4-5-18(25)22(19)26)16-11-15(24(31)28(2)3)12-17-20(30)13-21(33-23(16)17)29-7-9-32-10-8-29/h4-6,11-14,27H,7-10H2,1-3H3/t14-/m1/s1
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n/an/a 5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PI3Kbeta using PIP2 by Kinase-Glo Plus assay


J Med Chem 58: 943-62 (2015)


Article DOI: 10.1021/jm501629p
BindingDB Entry DOI: 10.7270/Q2VT1TS8
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50239118
PNG
(CHEMBL4090811)
Show SMILES Fc1cccc(c1)N1CCC[C@@H]1c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N1CCOCC1
Show InChI InChI=1S/C28H30FN3O5/c29-20-3-1-4-21(17-20)32-6-2-5-24(32)22-15-19(28(34)31-9-13-36-14-10-31)16-23-25(33)18-26(37-27(22)23)30-7-11-35-12-8-30/h1,3-4,15-18,24H,2,5-14H2/t24-/m1/s1
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n/an/a 5.10n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]baclofen from Gamma-aminobutyric acid type B receptor of rat brain membranes


Bioorg Med Chem Lett 27: 1949-1954 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.027
BindingDB Entry DOI: 10.7270/Q2SB47W8
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50500915
PNG
(CHEMBL3797750)
Show SMILES CN(C)C(=O)c1cc(CN2CCOc3c(F)cc(F)cc23)c2oc(cc(=O)c2c1)N1CCOCC1
Show InChI InChI=1S/C25H25F2N3O5/c1-28(2)25(32)15-9-16(14-30-5-8-34-24-19(27)11-17(26)12-20(24)30)23-18(10-15)21(31)13-22(35-23)29-3-6-33-7-4-29/h9-13H,3-8,14H2,1-2H3
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n/an/a 6n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PI3Kbeta using PIP2 as substrate preincubated for 20 mins followed by substrate addition measured after 80 mins by lu...


Bioorg Med Chem Lett 26: 2318-23 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.034
BindingDB Entry DOI: 10.7270/Q2W098ZZ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50500920
PNG
(CHEMBL3798914)
Show SMILES C[C@@H]1CN(CCO1)c1cc(=O)c2cc(cc(CN3CCOc4c(F)cccc34)c2o1)C(=O)N(C)C
Show InChI InChI=1S/C26H28FN3O5/c1-16-14-30(8-9-33-16)23-13-22(31)19-12-17(26(32)28(2)3)11-18(24(19)35-23)15-29-7-10-34-25-20(27)5-4-6-21(25)29/h4-6,11-13,16H,7-10,14-15H2,1-3H3/t16-/m1/s1
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n/an/a 6n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PI3Kalpha using PIP2 as substrate preincubated for 20 mins followed by substrate addition measured after 80 mins by l...


Bioorg Med Chem Lett 26: 2318-23 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.034
BindingDB Entry DOI: 10.7270/Q2W098ZZ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50070318
PNG
(CHEMBL3408277 | US9718800, 7.0b)
Show SMILES C[C@@H](N(C)c1cc(F)cc(F)c1)c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N(C)CCO
Show InChI InChI=1S/C26H29F2N3O5/c1-16(30(3)20-13-18(27)12-19(28)14-20)21-10-17(26(34)29(2)4-7-32)11-22-23(33)15-24(36-25(21)22)31-5-8-35-9-6-31/h10-16,32H,4-9H2,1-3H3/t16-/m1/s1
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n/an/a 6n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PI3Kbeta using PIP2 by Kinase-Glo Plus assay


J Med Chem 58: 943-62 (2015)


Article DOI: 10.1021/jm501629p
BindingDB Entry DOI: 10.7270/Q2VT1TS8
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



AstraZeneca

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 beta isoform


(Homo sapiens (Human))
BDBM50500922
PNG
(CHEMBL3797812)
Show SMILES C[C@@H]1CN(CCO1)c1cc(=O)c2cc(cc(CN3CCOc4c(F)cc(F)cc34)c2o1)C(=O)N(C)C
Show InChI InChI=1S/C26H27F2N3O5/c1-15-13-31(5-6-34-15)23-12-22(32)19-9-16(26(33)29(2)3)8-17(24(19)36-23)14-30-4-7-35-25-20(28)10-18(27)11-21(25)30/h8-12,15H,4-7,13-14H2,1-3H3/t15-/m1/s1
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n/an/a 6n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PI3Kbeta using PIP2 as substrate preincubated for 20 mins followed by substrate addition measured after 80 mins by lu...


Bioorg Med Chem Lett 26: 2318-23 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.034
BindingDB Entry DOI: 10.7270/Q2W098ZZ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50070326
PNG
(CHEMBL3408257 | US9718800, 3.13b)
Show SMILES C[C@@H](Nc1cc(F)cc(F)c1F)c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N(C)C
Show InChI InChI=1S/C24H24F3N3O4/c1-13(28-19-11-15(25)10-18(26)22(19)27)16-8-14(24(32)29(2)3)9-17-20(31)12-21(34-23(16)17)30-4-6-33-7-5-30/h8-13,28H,4-7H2,1-3H3/t13-/m1/s1
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n/an/a 6n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta in PTEN-null human MDA-MB-468 cells assessed as inhibition of Akt phosphorylation after 2 hrs


J Med Chem 58: 943-62 (2015)


Article DOI: 10.1021/jm501629p
BindingDB Entry DOI: 10.7270/Q2VT1TS8
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50500925
PNG
(CHEMBL3799673)
Show SMILES C[C@@H]1CN(CCO1)c1cc(=O)c2cc(cc(CN3CCOc4c(F)cc(F)cc34)c2o1)C(=O)N1CCOCC1
Show InChI InChI=1S/C28H29F2N3O6/c1-17-15-33(5-8-37-17)25-14-24(34)21-11-18(28(35)31-2-6-36-7-3-31)10-19(26(21)39-25)16-32-4-9-38-27-22(30)12-20(29)13-23(27)32/h10-14,17H,2-9,15-16H2,1H3/t17-/m1/s1
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n/an/a 6n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta in PTEN deficient human MDA-MB-468 cells assessed as inhibition of AKT phosphorylation at Ser-473 residue after 2 hrs by plate...


Bioorg Med Chem Lett 26: 2318-23 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.034
BindingDB Entry DOI: 10.7270/Q2W098ZZ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50094479
PNG
(CHEMBL3590225)
Show SMILES CN(C)CC(=O)N1CCC(CC1)c1cc(-c2cnc(N)c(n2)-n2nnc3ccccc23)n(C)n1
Show InChI InChI=1S/C23H28N10O/c1-30(2)14-21(34)32-10-8-15(9-11-32)17-12-20(31(3)28-17)18-13-25-22(24)23(26-18)33-19-7-5-4-6-16(19)27-29-33/h4-7,12-13,15H,8-11,14H2,1-3H3,(H2,24,25)
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n/an/a 6n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PI3Kalpha using PIP2/ATP as substrate preincubated for 20 mins followed by substrate addition measured after 80 mins ...


Bioorg Med Chem Lett 25: 2679-85 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.084
BindingDB Entry DOI: 10.7270/Q2QJ7K1S
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50070210
PNG
(CHEMBL3408267)
Show SMILES CNC(=O)c1cc([C@@H](C)Nc2cc(F)cc(F)c2)c2oc(cc(=O)c2c1)N1CCOCC1
Show InChI InChI=1S/C23H23F2N3O4/c1-13(27-17-10-15(24)9-16(25)11-17)18-7-14(23(30)26-2)8-19-20(29)12-21(32-22(18)19)28-3-5-31-6-4-28/h7-13,27H,3-6H2,1-2H3,(H,26,30)/t13-/m1/s1
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n/an/a 6n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PI3Kbeta using PIP2 by Kinase-Glo Plus assay


J Med Chem 58: 943-62 (2015)


Article DOI: 10.1021/jm501629p
BindingDB Entry DOI: 10.7270/Q2VT1TS8
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50239118
PNG
(CHEMBL4090811)
Show SMILES Fc1cccc(c1)N1CCC[C@@H]1c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N1CCOCC1
Show InChI InChI=1S/C28H30FN3O5/c29-20-3-1-4-21(17-20)32-6-2-5-24(32)22-15-19(28(34)31-9-13-36-14-10-31)16-23-25(33)18-26(37-27(22)23)30-7-11-35-12-8-30/h1,3-4,15-18,24H,2,5-14H2/t24-/m1/s1
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n/an/a 6.10n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PI3Kbeta using PIP2 as substrate preincubated for 20 mins followed by substrate addition measured after 80 mins in pr...


Bioorg Med Chem Lett 27: 1949-1954 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.027
BindingDB Entry DOI: 10.7270/Q2SB47W8
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50239124
PNG
(CHEMBL4102511)
Show SMILES CN(C)C(=O)c1cc([C@H]2CCCN2c2ccc(F)cc2)c2oc(cc(=O)c2c1)N1CCOCC1
Show InChI InChI=1S/C26H28FN3O4/c1-28(2)26(32)17-14-20(22-4-3-9-30(22)19-7-5-18(27)6-8-19)25-21(15-17)23(31)16-24(34-25)29-10-12-33-13-11-29/h5-8,14-16,22H,3-4,9-13H2,1-2H3/t22-/m1/s1
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n/an/a 6.70n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PI3Kbeta using PIP2 as substrate preincubated for 20 mins followed by substrate addition measured after 80 mins in pr...


Bioorg Med Chem Lett 27: 1949-1954 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.027
BindingDB Entry DOI: 10.7270/Q2SB47W8
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50500917
PNG
(CHEMBL3797698)
Show SMILES C[C@@H]1CN(CCO1)c1cc(=O)c2cc(cc(CN(C)c3cc(F)cc(F)c3)c2o1)C(=O)N(C)C
Show InChI InChI=1S/C25H27F2N3O4/c1-15-13-30(5-6-33-15)23-12-22(31)21-8-16(25(32)28(2)3)7-17(24(21)34-23)14-29(4)20-10-18(26)9-19(27)11-20/h7-12,15H,5-6,13-14H2,1-4H3/t15-/m1/s1
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n/an/a 7n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PI3Kdelta using PIP2 as substrate preincubated for 20 mins followed by substrate addition measured after 80 mins by l...


Bioorg Med Chem Lett 26: 2318-23 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.034
BindingDB Entry DOI: 10.7270/Q2W098ZZ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50070321
PNG
(CHEMBL3408247 | US9718800, 3.03b)
Show SMILES C[C@@H](Nc1ccc(F)c(F)c1)c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N(C)C
Show InChI InChI=1S/C24H25F2N3O4/c1-14(27-16-4-5-19(25)20(26)12-16)17-10-15(24(31)28(2)3)11-18-21(30)13-22(33-23(17)18)29-6-8-32-9-7-29/h4-5,10-14,27H,6-9H2,1-3H3/t14-/m1/s1
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n/an/a 7n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PI3Kbeta using PIP2 by Kinase-Glo Plus assay


J Med Chem 58: 943-62 (2015)


Article DOI: 10.1021/jm501629p
BindingDB Entry DOI: 10.7270/Q2VT1TS8
More data for this
Ligand-Target Pair
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