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Compile Data Set for Download or QSAR

Found 358 hits Enz. Inhib. hit(s) with Target = 'p110β/p85α'   
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
p110β/p85α


(Homo sapiens (Human))
BDBM50240324
PNG
(CHEMBL4067552)
Show SMILES Nc1ncc(cn1)-c1cn2c3CCN(Cc3nc2c(n1)N1CCOCC1)C(=O)NCc1ccc(F)cc1
Show InChI InChI=1S/C25H26FN9O2/c26-18-3-1-16(2-4-18)11-30-25(36)34-6-5-21-20(14-34)32-23-22(33-7-9-37-10-8-33)31-19(15-35(21)23)17-12-28-24(27)29-13-17/h1-4,12-13,15H,5-11,14H2,(H,30,36)(H2,27,28,29)
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43n/an/an/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His6-tagged p110beta/untagged recombinant full length human p85alpha expressed in baculovirus infected Sf2...


Bioorg Med Chem Lett 27: 2536-2543 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.090
BindingDB Entry DOI: 10.7270/Q2N87CZ1
More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM50451425
PNG
(CHEMBL4212439)
Show SMILES CS(=O)(=O)N1CCN(Cc2cc3c(nc(cn3n2)-c2cnc(N)nc2)N2CCOCC2)CC1
Show InChI InChI=1S/C20H27N9O3S/c1-33(30,31)28-4-2-26(3-5-28)13-16-10-18-19(27-6-8-32-9-7-27)24-17(14-29(18)25-16)15-11-22-20(21)23-12-15/h10-12,14H,2-9,13H2,1H3,(H2,21,22,23)
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49n/an/an/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL


Assay Description
Inhibition of p110beta/85alpha (unknown origin) using PIP2 as substrate by HTRF assay


Bioorg Med Chem Lett 27: 4794-4799 (2017)

More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM50240317
PNG
(CHEMBL4070339)
Show SMILES Nc1ncc(cn1)-c1cn2c3CCN(CCc4ccc(F)cc4)Cc3nc2c(n1)N1CCOCC1
Show InChI InChI=1S/C25H27FN8O/c26-19-3-1-17(2-4-19)5-7-32-8-6-22-21(15-32)31-24-23(33-9-11-35-12-10-33)30-20(16-34(22)24)18-13-28-25(27)29-14-18/h1-4,13-14,16H,5-12,15H2,(H2,27,28,29)
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54n/an/an/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His6-tagged p110beta/untagged recombinant full length human p85alpha expressed in baculovirus infected Sf2...


Bioorg Med Chem Lett 27: 2536-2543 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.090
BindingDB Entry DOI: 10.7270/Q2N87CZ1
More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM50240322
PNG
(CHEMBL4098032)
Show SMILES Nc1ncc(cn1)-c1cn2c3CN(CCc3nc2c(n1)N1CCOCC1)S(=O)(=O)C1CC1
Show InChI InChI=1S/C20H24N8O3S/c21-20-22-9-13(10-23-20)16-11-28-17-12-27(32(29,30)14-1-2-14)4-3-15(17)24-19(28)18(25-16)26-5-7-31-8-6-26/h9-11,14H,1-8,12H2,(H2,21,22,23)
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66n/an/an/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His6-tagged p110beta/untagged recombinant full length human p85alpha expressed in baculovirus infected Sf2...


Bioorg Med Chem Lett 27: 2536-2543 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.090
BindingDB Entry DOI: 10.7270/Q2N87CZ1
More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM50451427
PNG
(CHEMBL4212973)
Show SMILES CS(=O)(=O)N1CCN(Cc2cc3c(nc(c(Cl)n3n2)-c2cnc(N)nc2)N2CCOCC2)CC1
Show InChI InChI=1S/C20H26ClN9O3S/c1-34(31,32)29-4-2-27(3-5-29)13-15-10-16-19(28-6-8-33-9-7-28)25-17(18(21)30(16)26-15)14-11-23-20(22)24-12-14/h10-12H,2-9,13H2,1H3,(H2,22,23,24)
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72n/an/an/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL


Assay Description
Inhibition of p110beta/85alpha (unknown origin) using PIP2 as substrate by HTRF assay


Bioorg Med Chem Lett 27: 4794-4799 (2017)

More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM50451423
PNG
(CHEMBL4217392)
Show SMILES CS(=O)(=O)N1CCN(Cc2nc3c(nc(cn3n2)-c2cnc(N)nc2)N2CCOCC2)CC1
Show InChI InChI=1S/C19H26N10O3S/c1-33(30,31)28-4-2-26(3-5-28)13-16-24-18-17(27-6-8-32-9-7-27)23-15(12-29(18)25-16)14-10-21-19(20)22-11-14/h10-12H,2-9,13H2,1H3,(H2,20,21,22)
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155n/an/an/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL


Assay Description
Inhibition of p110beta/85alpha (unknown origin) using PIP2 as substrate by HTRF assay


Bioorg Med Chem Lett 27: 4794-4799 (2017)

More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM50420714
PNG
(CHEMBL2087474)
Show SMILES CS(=O)(=O)N1CCN(Cc2cn3cc(nc(N4CCOCC4)c3n2)-c2cnc(N)nc2)CC1
Show InChI InChI=1S/C20H27N9O3S/c1-33(30,31)29-4-2-26(3-5-29)12-16-13-28-14-17(15-10-22-20(21)23-11-15)25-19(18(28)24-16)27-6-8-32-9-7-27/h10-11,13-14H,2-9,12H2,1H3,(H2,21,22,23)
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170n/an/an/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL


Assay Description
Inhibition of p110beta/85alpha (unknown origin) using PIP2 as substrate by HTRF assay


Bioorg Med Chem Lett 27: 4794-4799 (2017)

More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM50420714
PNG
(CHEMBL2087474)
Show SMILES CS(=O)(=O)N1CCN(Cc2cn3cc(nc(N4CCOCC4)c3n2)-c2cnc(N)nc2)CC1
Show InChI InChI=1S/C20H27N9O3S/c1-33(30,31)29-4-2-26(3-5-29)12-16-13-28-14-17(15-10-22-20(21)23-11-15)25-19(18(28)24-16)27-6-8-32-9-7-27/h10-11,13-14H,2-9,12H2,1H3,(H2,21,22,23)
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170n/an/an/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His6-tagged p110beta/untagged recombinant full length human p85alpha expressed in baculovirus infected Sf2...


Bioorg Med Chem Lett 27: 2536-2543 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.090
BindingDB Entry DOI: 10.7270/Q2N87CZ1
More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM50240326
PNG
(CHEMBL4068727)
Show SMILES CS(=O)(=O)N1CCc2c(C1)nc1c(nc(cn21)-c1cnc(N)nc1)N1CCOCC1
Show InChI InChI=1S/C18H22N8O3S/c1-30(27,28)25-3-2-15-14(10-25)23-17-16(24-4-6-29-7-5-24)22-13(11-26(15)17)12-8-20-18(19)21-9-12/h8-9,11H,2-7,10H2,1H3,(H2,19,20,21)
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253n/an/an/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His6-tagged p110beta/untagged recombinant full length human p85alpha expressed in baculovirus infected Sf2...


Bioorg Med Chem Lett 27: 2536-2543 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.090
BindingDB Entry DOI: 10.7270/Q2N87CZ1
More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM50451424
PNG
(CHEMBL4205584)
Show SMILES CS(=O)(=O)N1CCN(Cc2nc3c(nc(-c4cnc(N)nc4)c(Cl)n3n2)N2CCOCC2)CC1
Show InChI InChI=1S/C19H25ClN10O3S/c1-34(31,32)29-4-2-27(3-5-29)12-14-24-18-17(28-6-8-33-9-7-28)25-15(16(20)30(18)26-14)13-10-22-19(21)23-11-13/h10-11H,2-9,12H2,1H3,(H2,21,22,23)
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285n/an/an/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL


Assay Description
Inhibition of p110beta/85alpha (unknown origin) using PIP2 as substrate by HTRF assay


Bioorg Med Chem Lett 27: 4794-4799 (2017)

More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM50451426
PNG
(CHEMBL4208064)
Show SMILES CS(=O)(=O)N1CCN(Cc2cn3nc(nc(N4CCOCC4)c3n2)-c2cnc(N)nc2)CC1
Show InChI InChI=1S/C19H26N10O3S/c1-33(30,31)28-4-2-26(3-5-28)12-15-13-29-18(23-15)17(27-6-8-32-9-7-27)24-16(25-29)14-10-21-19(20)22-11-14/h10-11,13H,2-9,12H2,1H3,(H2,20,21,22)
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388n/an/an/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL


Assay Description
Inhibition of p110beta/85alpha (unknown origin) using PIP2 as substrate by HTRF assay


Bioorg Med Chem Lett 27: 4794-4799 (2017)

More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM50240323
PNG
(CHEMBL4062315)
Show SMILES Nc1ncc(cn1)-c1cn2c3CN(CCc3nc2c(n1)N1CCOCC1)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C23H23FN8O3S/c24-16-1-3-17(4-2-16)36(33,34)31-6-5-18-20(14-31)32-13-19(15-11-26-23(25)27-12-15)29-21(22(32)28-18)30-7-9-35-10-8-30/h1-4,11-13H,5-10,14H2,(H2,25,26,27)
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>490n/an/an/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His6-tagged p110beta/untagged recombinant full length human p85alpha expressed in baculovirus infected Sf2...


Bioorg Med Chem Lett 27: 2536-2543 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.090
BindingDB Entry DOI: 10.7270/Q2N87CZ1
More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM50240325
PNG
(CHEMBL4102709)
Show SMILES Nc1ncc(cn1)-c1cn2c3CCN(Cc3nc2c(n1)N1CCOCC1)C(=O)NC1CCCCC1
Show InChI InChI=1S/C24H31N9O2/c25-23-26-12-16(13-27-23)18-15-33-20-6-7-32(24(34)28-17-4-2-1-3-5-17)14-19(20)30-22(33)21(29-18)31-8-10-35-11-9-31/h12-13,15,17H,1-11,14H2,(H,28,34)(H2,25,26,27)
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>490n/an/an/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His6-tagged p110beta/untagged recombinant full length human p85alpha expressed in baculovirus infected Sf2...


Bioorg Med Chem Lett 27: 2536-2543 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.090
BindingDB Entry DOI: 10.7270/Q2N87CZ1
More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM50240318
PNG
(CHEMBL4083480)
Show SMILES CS(=O)(=O)NCCN1CCc2c(C1)nc1c(nc(cn21)-c1cnc(N)nc1)N1CCOCC1
Show InChI InChI=1S/C20H27N9O3S/c1-33(30,31)24-3-5-27-4-2-17-16(12-27)26-19-18(28-6-8-32-9-7-28)25-15(13-29(17)19)14-10-22-20(21)23-11-14/h10-11,13,24H,2-9,12H2,1H3,(H2,21,22,23)
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>490n/an/an/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His6-tagged p110beta/untagged recombinant full length human p85alpha expressed in baculovirus infected Sf2...


Bioorg Med Chem Lett 27: 2536-2543 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.090
BindingDB Entry DOI: 10.7270/Q2N87CZ1
More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM50240320
PNG
(CHEMBL4088855)
Show SMILES Nc1ncc(cn1)-c1cn2c3CCN(Cc3nc2c(n1)N1CCOCC1)c1ccc(F)cc1
Show InChI InChI=1S/C23H23FN8O/c24-16-1-3-17(4-2-16)31-6-5-20-19(13-31)29-22-21(30-7-9-33-10-8-30)28-18(14-32(20)22)15-11-26-23(25)27-12-15/h1-4,11-12,14H,5-10,13H2,(H2,25,26,27)
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>490n/an/an/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His6-tagged p110beta/untagged recombinant full length human p85alpha expressed in baculovirus infected Sf2...


Bioorg Med Chem Lett 27: 2536-2543 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.090
BindingDB Entry DOI: 10.7270/Q2N87CZ1
More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM50501402
PNG
(CHEMBL4071605)
Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cc[nH]n1
Show InChI InChI=1S/C18H15ClN10O/c1-8(24-15-9(7-20)14(21)26-18(22)27-15)16-25-11-4-2-3-10(19)13(11)17(30)29(16)12-5-6-23-28-12/h2-6,8H,1H3,(H,23,28)(H5,21,22,24,26,27)/t8-/m0/s1
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n/an/a 0.700n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged recombinant full-length human PI3K p110beta/untagged recombinant full length human p85alpha expressed in baculov...


J Med Chem 60: 1555-1567 (2017)

More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM50501399
PNG
(CHEMBL4100135)
Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1ccc(O)cc1
Show InChI InChI=1S/C21H16ClN7O2/c1-11(27-19-14(9-23)18(24)25-10-26-19)20-28-16-4-2-3-15(22)17(16)21(31)29(20)12-5-7-13(30)8-6-12/h2-8,10-11,30H,1H3,(H3,24,25,26,27)/t11-/m0/s1
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n/an/a 0.700n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged recombinant full-length human PI3K p110beta/untagged recombinant full length human p85alpha expressed in baculov...


J Med Chem 60: 1555-1567 (2017)

More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM50501408
PNG
(CHEMBL4081433)
Show SMILES Nc1nc(N)c(C#N)c(N[C@@H](C2CC2)c2nc3c(Cl)cc(F)cc3c(=O)n2-c2cc[nH]n2)n1
Show InChI InChI=1S/C20H16ClFN10O/c21-12-6-9(22)5-10-15(12)28-18(32(19(10)33)13-3-4-26-31-13)14(8-1-2-8)27-17-11(7-23)16(24)29-20(25)30-17/h3-6,8,14H,1-2H2,(H,26,31)(H5,24,25,27,29,30)/t14-/m0/s1
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n/an/a 0.700n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged recombinant full-length human PI3K p110beta/untagged recombinant full length human p85alpha expressed in baculov...


J Med Chem 60: 1555-1567 (2017)

More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM50450680
PNG
(CHEMBL4168702)
Show SMILES COc1cc(ccc1O)-c1c[nH]c2ncnc(N[C@@H](C)c3nn4ccc(C)c4c(=O)n3-c3ccccc3)c12
Show InChI InChI=1/C28H25N7O3/c1-16-11-12-34-24(16)28(37)35(19-7-5-4-6-8-19)27(33-34)17(2)32-26-23-20(14-29-25(23)30-15-31-26)18-9-10-21(36)22(13-18)38-3/h4-15,17,36H,1-3H3,(H2,29,30,31,32)/t17-/s2
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n/an/a 1.30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His6-tagged full length p110beta/recombinant human full length p85alpha using PIP2 as substrate preincubat...


J Med Chem 61: 9551-9567 (2018)

More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM50501403
PNG
(CHEMBL4084645)
Show SMILES Nc1nc(N)c(C#N)c(N[C@@H](C2CC2)c2nc3cccc(Cl)c3c(=O)n2-c2cc[nH]n2)n1
Show InChI InChI=1S/C20H17ClN10O/c21-11-2-1-3-12-14(11)19(32)31(13-6-7-25-30-13)18(26-12)15(9-4-5-9)27-17-10(8-22)16(23)28-20(24)29-17/h1-3,6-7,9,15H,4-5H2,(H,25,30)(H5,23,24,27,28,29)/t15-/m0/s1
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n/an/a 1.60n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged recombinant full-length human PI3K p110beta/untagged recombinant full length human p85alpha expressed in baculov...


J Med Chem 60: 1555-1567 (2017)

More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM50501411
PNG
(CHEMBL4068742)
Show SMILES Cc1nc(N)nc(N[C@@H](C2CC2)c2nc3cccc(Cl)c3c(=O)n2-c2cc[nH]n2)c1C#N
Show InChI InChI=1S/C21H18ClN9O/c1-10-12(9-23)18(29-21(24)26-10)28-17(11-5-6-11)19-27-14-4-2-3-13(22)16(14)20(32)31(19)15-7-8-25-30-15/h2-4,7-8,11,17H,5-6H2,1H3,(H,25,30)(H3,24,26,28,29)/t17-/m0/s1
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n/an/a 1.70n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged recombinant full-length human PI3K p110beta/untagged recombinant full length human p85alpha expressed in baculov...


J Med Chem 60: 1555-1567 (2017)

More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM50501405
PNG
(CHEMBL4074361)
Show SMILES C[C@H](Nc1nc(N)nc(N)c1Cl)c1nc2cccc(Cl)c2c(=O)n1-c1cc[nH]n1
Show InChI InChI=1S/C17H15Cl2N9O/c1-7(23-14-12(19)13(20)25-17(21)26-14)15-24-9-4-2-3-8(18)11(9)16(29)28(15)10-5-6-22-27-10/h2-7H,1H3,(H,22,27)(H5,20,21,23,25,26)/t7-/m0/s1
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n/an/a 2.10n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged recombinant full-length human PI3K p110beta/untagged recombinant full length human p85alpha expressed in baculov...


J Med Chem 60: 1555-1567 (2017)

More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM236931
PNG
(US9388189, 27)
Show SMILES C[C@H](Nc1ncnc2[nH]cc(-c3cc(O)cc(F)c3)c12)c1nn2ccc(C)c2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C27H22FN7O2/c1-15-8-9-34-23(15)27(37)35(19-6-4-3-5-7-19)26(33-34)16(2)32-25-22-21(13-29-24(22)30-14-31-25)17-10-18(28)12-20(36)11-17/h3-14,16,36H,1-2H3,(H2,29,30,31,32)/t16-/m0/s1
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n/an/a 2.30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His6-tagged full length p110beta/recombinant human full length p85alpha using PIP2 as substrate preincubat...


J Med Chem 61: 9551-9567 (2018)

More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM50501400
PNG
(CHEMBL4082130)
Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cc[nH]n1
Show InChI InChI=1S/C18H14ClN9O/c1-9(25-16-10(7-20)15(21)22-8-23-16)17-26-12-4-2-3-11(19)14(12)18(29)28(17)13-5-6-24-27-13/h2-6,8-9H,1H3,(H,24,27)(H3,21,22,23,25)/t9-/m0/s1
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n/an/a 2.5n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged recombinant full-length human PI3K p110beta/untagged recombinant full length human p85alpha expressed in baculov...


J Med Chem 60: 1555-1567 (2017)

More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM50450675
PNG
(CHEMBL4166977)
Show SMILES C[C@H](Nc1ncnc2[nH]cc(-c3cc(O)cc(NS(C)(=O)=O)c3)c12)c1nn2ccc(C)c2c(=O)n1-c1ccccc1
Show InChI InChI=1/C28H26N8O4S/c1-16-9-10-35-24(16)28(38)36(20-7-5-4-6-8-20)27(33-35)17(2)32-26-23-22(14-29-25(23)30-15-31-26)18-11-19(13-21(37)12-18)34-41(3,39)40/h4-15,17,34,37H,1-3H3,(H2,29,30,31,32)/t17-/s2
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n/an/a 2.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His6-tagged full length p110beta/recombinant human full length p85alpha using PIP2 as substrate preincubat...


J Med Chem 61: 9551-9567 (2018)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
p110β/p85α


(Homo sapiens (Human))
BDBM50501415
PNG
(CHEMBL4085918)
Show SMILES C[C@H](Nc1nc(N)nc(C(F)F)c1C#N)c1nc2c(Cl)cc(F)cc2c(=O)n1-c1cc[nH]n1
Show InChI InChI=1S/C19H13ClF3N9O/c1-7(27-16-10(6-24)14(15(22)23)29-19(25)30-16)17-28-13-9(4-8(21)5-11(13)20)18(33)32(17)12-2-3-26-31-12/h2-5,7,15H,1H3,(H,26,31)(H3,25,27,29,30)/t7-/m0/s1
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n/an/a 2.60n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged recombinant full-length human PI3K p110beta/untagged recombinant full length human p85alpha expressed in baculov...


J Med Chem 60: 1555-1567 (2017)

More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM50501409
PNG
(CHEMBL4061937)
Show SMILES CC[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(F)c2c(=O)n1-c1ccc(O)cc1
Show InChI InChI=1S/C22H18FN7O2/c1-2-15(28-20-18-19(25-10-24-18)26-11-27-20)21-29-16-5-3-4-14(23)17(16)22(32)30(21)12-6-8-13(31)9-7-12/h3-11,15,31H,2H2,1H3,(H2,24,25,26,27,28)/t15-/m0/s1
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n/an/a 2.70n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged recombinant full-length human PI3K p110beta/untagged recombinant full length human p85alpha expressed in baculov...


J Med Chem 60: 1555-1567 (2017)

More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM50230926
PNG
(CHEMBL4083504)
Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2ncc(NC(=O)CN3CCOCC3)c(OC)c2c1
Show InChI InChI=1S/C28H27F2N5O6S/c1-39-27-20-11-17(3-5-22(20)31-15-24(27)33-26(36)16-35-7-9-41-10-8-35)18-12-23(28(40-2)32-14-18)34-42(37,38)25-6-4-19(29)13-21(25)30/h3-6,11-15,34H,7-10,16H2,1-2H3,(H,33,36)
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n/an/a 3.90n/an/an/an/an/an/a



Hangzhou Xixi Hospital

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length human N-terminal His6-tagged PI3K p110beta/p85alpha expressed in baculovirus infected Sf21 cells using PIP2 as ...


Eur J Med Chem 127: 509-520 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.016
BindingDB Entry DOI: 10.7270/Q2CZ39DX
More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM50450695
PNG
(CHEMBL4176898)
Show SMILES C[C@H](Nc1ncnc2[nH]cc(-c3ccc(O)cc3)c12)c1nn2ccc(C)c2c(=O)n1-c1ccccc1
Show InChI InChI=1/C27H23N7O2/c1-16-12-13-33-23(16)27(36)34(19-6-4-3-5-7-19)26(32-33)17(2)31-25-22-21(14-28-24(22)29-15-30-25)18-8-10-20(35)11-9-18/h3-15,17,35H,1-2H3,(H2,28,29,30,31)/t17-/s2
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n/an/a 4.10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His6-tagged full length p110beta/recombinant human full length p85alpha using PIP2 as substrate preincubat...


J Med Chem 61: 9551-9567 (2018)

More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM50450685
PNG
(CHEMBL4160167)
Show SMILES C[C@H](Nc1ncnc2[nH]cc(-c3cn[nH]c3)c12)c1nn2ccc(C)c2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C24H19N9O/c1-14-8-9-32-20(14)24(34)33(17-6-4-3-5-7-17)23(31-32)15(2)30-22-19-18(16-10-28-29-11-16)12-25-21(19)26-13-27-22/h3-13,15H,1-2H3,(H,26,27,30)/t15-/m0/s1
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n/an/a 4.30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His6-tagged full length p110beta/recombinant human full length p85alpha using PIP2 as substrate preincubat...


J Med Chem 61: 9551-9567 (2018)

More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM50501416
PNG
(CHEMBL4102306)
Show SMILES Nc1nc(N[C@@H](C2CC2)c2nc3c(Cl)cc(F)cc3c(=O)n2-c2cc[nH]n2)c(C#N)c(n1)C(F)F
Show InChI InChI=1S/C21H15ClF3N9O/c22-12-6-9(23)5-10-15(12)30-19(34(20(10)35)13-3-4-28-33-13)14(8-1-2-8)29-18-11(7-26)16(17(24)25)31-21(27)32-18/h3-6,8,14,17H,1-2H2,(H,28,33)(H3,27,29,31,32)/t14-/m0/s1
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n/an/a 4.5n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged recombinant full-length human PI3K p110beta/untagged recombinant full length human p85alpha expressed in baculov...


J Med Chem 60: 1555-1567 (2017)

More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM50501412
PNG
(CHEMBL4096052)
Show SMILES Nc1nc(Cl)c(C#N)c(N[C@@H](C2CC2)c2nc3cccc(Cl)c3c(=O)n2-c2cc[nH]n2)n1
Show InChI InChI=1S/C20H15Cl2N9O/c21-11-2-1-3-12-14(11)19(32)31(13-6-7-25-30-13)18(26-12)15(9-4-5-9)27-17-10(8-23)16(22)28-20(24)29-17/h1-3,6-7,9,15H,4-5H2,(H,25,30)(H3,24,27,28,29)/t15-/m0/s1
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n/an/a 5.20n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged recombinant full-length human PI3K p110beta/untagged recombinant full length human p85alpha expressed in baculov...


J Med Chem 60: 1555-1567 (2017)

More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM50175003
PNG
(CHEMBL3808812)
Show SMILES CCN1CCN(CC1)c1cc(F)c(NC(=O)N2CCc3c2nc(nc3-c2cnc(N)nc2)N2CCOCC2)c(F)c1
Show InChI InChI=1S/C27H32F2N10O2/c1-2-36-5-7-37(8-6-36)18-13-20(28)23(21(29)14-18)34-27(40)39-4-3-19-22(17-15-31-25(30)32-16-17)33-26(35-24(19)39)38-9-11-41-12-10-38/h13-16H,2-12H2,1H3,(H,34,40)(H2,30,31,32)
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n/an/a 7n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of human PI3K p110beta/p85alpha expressed in baculovirus preincubated for 20 mins followed by addition of phosphorylate phosphatidylinosit...


Bioorg Med Chem 24: 2897-2906 (2016)


Article DOI: 10.1016/j.bmc.2016.04.060
BindingDB Entry DOI: 10.7270/Q21J9CQT
More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM50435576
PNG
(CHEMBL2393134)
Show SMILES CN(C)CCCOc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C24H32F2N8O3/c1-31(2)7-4-12-37-18-6-3-5-17-19(18)27-21(20(25)26)34(17)24-29-22(32-8-13-35-14-9-32)28-23(30-24)33-10-15-36-16-11-33/h3,5-6,20H,4,7-16H2,1-2H3
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n/an/a 7.30n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3K p110beta/p85alpha (unknown origin) using phosphotidylinositol as susbstrate after 1 hr by thin layer paper chromatogra...


Eur J Med Chem 64: 137-47 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.038
BindingDB Entry DOI: 10.7270/Q2377B33
More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM50450674
PNG
(CHEMBL4163332)
Show SMILES C[C@H](Nc1ncnc2[nH]cc(-c3cc(ccc3O)C(F)(F)F)c12)c1nn2ccc(C)c2c(=O)n1-c1ccccc1
Show InChI InChI=1/C28H22F3N7O2/c1-15-10-11-37-23(15)27(40)38(18-6-4-3-5-7-18)26(36-37)16(2)35-25-22-20(13-32-24(22)33-14-34-25)19-12-17(28(29,30)31)8-9-21(19)39/h3-14,16,39H,1-2H3,(H2,32,33,34,35)/t16-/s2
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n/an/a 7.30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His6-tagged full length p110beta/recombinant human full length p85alpha using PIP2 as substrate preincubat...


J Med Chem 61: 9551-9567 (2018)

More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM50501398
PNG
(CHEMBL4082978)
Show SMILES C[C@H](Nc1nc(N)nc(N)c1Cl)c1nc2c(Cl)cc(F)cc2c(=O)n1-c1cc[nH]n1
Show InChI InChI=1S/C17H14Cl2FN9O/c1-6(24-14-11(19)13(21)26-17(22)27-14)15-25-12-8(4-7(20)5-9(12)18)16(30)29(15)10-2-3-23-28-10/h2-6H,1H3,(H,23,28)(H5,21,22,24,26,27)/t6-/m0/s1
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n/an/a 7.80n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged recombinant full-length human PI3K p110beta/untagged recombinant full length human p85alpha expressed in baculov...


J Med Chem 60: 1555-1567 (2017)

More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM50239545
PNG
(CHEMBL4092688)
Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1Cc1cccc(CN)c1
Show InChI InChI=1/C23H23N7OS/c1-13-11-32-20-8-17(14(2)29-22-19(10-25)21(26)27-12-28-22)18(23(31)30(13)20)7-15-4-3-5-16(6-15)9-24/h3-6,8,11-12,14H,7,9,24H2,1-2H3,(H3,26,27,28,29)/t14-/s2
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n/an/a 7.90n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His6-tagged PI3K p110beta/p85alpha using DiC8-PIP2 as substrate preincubated for 15 mins followed by substrate additi...


J Med Chem 60: 5057-5071 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00401
BindingDB Entry DOI: 10.7270/Q2T43W8X
More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM50239550
PNG
(CHEMBL4060741)
Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1Cc1cccc(CNCCCCOCCc2ccccc2)c1
Show InChI InChI=1/C35H39N7O2S/c1-24-22-45-32-19-29(25(2)41-34-31(20-36)33(37)39-23-40-34)30(35(43)42(24)32)18-27-11-8-12-28(17-27)21-38-14-6-7-15-44-16-13-26-9-4-3-5-10-26/h3-5,8-12,17,19,22-23,25,38H,6-7,13-16,18,21H2,1-2H3,(H3,37,39,40,41)/t25-/s2
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His6-tagged PI3K p110beta/p85alpha using DiC8-PIP2 as substrate preincubated for 15 mins followed by substrate additi...


J Med Chem 60: 5057-5071 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00401
BindingDB Entry DOI: 10.7270/Q2T43W8X
More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM50501410
PNG
(CHEMBL4101102)
Show SMILES Nc1nc(N)c(Cl)c(N[C@@H](C2CC2)c2nc3cccc(Cl)c3c(=O)n2-c2cc[nH]n2)n1
Show InChI InChI=1S/C19H17Cl2N9O/c20-9-2-1-3-10-12(9)18(31)30(11-6-7-24-29-11)17(25-10)14(8-4-5-8)26-16-13(21)15(22)27-19(23)28-16/h1-3,6-8,14H,4-5H2,(H,24,29)(H5,22,23,26,27,28)/t14-/m0/s1
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n/an/a 7.90n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged recombinant full-length human PI3K p110beta/untagged recombinant full length human p85alpha expressed in baculov...


J Med Chem 60: 1555-1567 (2017)

More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM50501413
PNG
(CHEMBL4079545)
Show SMILES Nc1nc(N[C@@H](C2CC2)c2nc3cccc(Cl)c3c(=O)n2-c2cc[nH]n2)c(C#N)c(n1)C(F)F
Show InChI InChI=1S/C21H16ClF2N9O/c22-11-2-1-3-12-14(11)20(34)33(13-6-7-27-32-13)19(28-12)15(9-4-5-9)29-18-10(8-25)16(17(23)24)30-21(26)31-18/h1-3,6-7,9,15,17H,4-5H2,(H,27,32)(H3,26,29,30,31)/t15-/m0/s1
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n/an/a 9.30n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged recombinant full-length human PI3K p110beta/untagged recombinant full length human p85alpha expressed in baculov...


J Med Chem 60: 1555-1567 (2017)

More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM50450682
PNG
(CHEMBL4167561)
Show SMILES C[C@H](Nc1ncnc2[nH]cc(-c3cc(NS(C)(=O)=O)cc4[nH]ccc34)c12)c1nn2ccc(C)c2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C30H25N9O3S/c1-17-10-12-38-26(17)30(40)39(20-7-5-4-6-8-20)29(36-38)18(2)35-28-25-23(15-32-27(25)33-16-34-28)22-13-19(37-43(3,41)42)14-24-21(22)9-11-31-24/h4-16,18,37H,1-3H3,(H,33,34,35)/b23-22+/t18-/m0/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
UniChem
PubMed
n/an/a 10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His6-tagged full length p110beta/recombinant human full length p85alpha using PIP2 as substrate preincubat...


J Med Chem 61: 9551-9567 (2018)

More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM236932
PNG
(US9388189, 28)
Show SMILES C[C@H](Nc1ncnc(N)c1-c1cc(O)cc(c1)C(F)(F)F)c1nn2ccc(C)c2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C26H22F3N7O2/c1-14-8-9-35-21(14)25(38)36(18-6-4-3-5-7-18)24(34-35)15(2)33-23-20(22(30)31-13-32-23)16-10-17(26(27,28)29)12-19(37)11-16/h3-13,15,37H,1-2H3,(H3,30,31,32,33)/t15-/m0/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
PubMed
n/an/a 10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His6-tagged full length p110beta/recombinant human full length p85alpha using PIP2 as substrate preincubat...


J Med Chem 61: 9551-9567 (2018)

More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM179450
PNG
(US9675616, 7 2-Amino-N-(8-{[(2R)-2-hydroxy-3-{[(1S...)
Show SMILES COc1c(OC[C@H](O)CN[C@@H](C)c2ccccc2)ccc2C3=NCCN3C(NC(=O)c3cnc(N)nc3)=Nc12
Show InChI InChI=1/C27H30N8O4/c1-16(17-6-4-3-5-7-17)30-14-19(36)15-39-21-9-8-20-22(23(21)38-2)33-27(35-11-10-29-24(20)35)34-25(37)18-12-31-26(28)32-13-18/h3-9,12-13,16,19,30,36H,10-11,14-15H2,1-2H3,(H2,28,31,32)(H,33,34,37)/t16-,19+/s2
PDB

UniProtKB/SwissProt
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UniChem
US Patent
n/an/a<10n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
For the assay 50 nL of a 80-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384-well microtiter plate (G...


US Patent US9675616 (2017)


BindingDB Entry DOI: 10.7270/Q2H41PKX
More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM179449
PNG
(US9675616, 6 2-Amino-N-(8-{[(2S)-2-hydroxy-3-{[(1S...)
Show SMILES COc1c(OC[C@@H](O)CN[C@@H](C)c2ccccc2)ccc2C3=NCCN3C(NC(=O)c3cnc(N)nc3)=Nc12
Show InChI InChI=1/C27H30N8O4/c1-16(17-6-4-3-5-7-17)30-14-19(36)15-39-21-9-8-20-22(23(21)38-2)33-27(35-11-10-29-24(20)35)34-25(37)18-12-31-26(28)32-13-18/h3-9,12-13,16,19,30,36H,10-11,14-15H2,1-2H3,(H2,28,31,32)(H,33,34,37)/t16-,19-/s2
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<10n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
For the assay 50 nL of a 80-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384-well microtiter plate (G...


US Patent US9675616 (2017)


BindingDB Entry DOI: 10.7270/Q2H41PKX
More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM179448
PNG
(US9675616, 5 rel-2-Amino-N-(8-{[(2R)-2-hydroxy-3-{...)
Show SMILES COc1c(OCC(O)CN[C@@H](C)c2ccccc2)ccc2C3=NCCN3C(NC(=O)c3cnc(N)nc3)=Nc12
Show InChI InChI=1/C27H30N8O4/c1-16(17-6-4-3-5-7-17)30-14-19(36)15-39-21-9-8-20-22(23(21)38-2)33-27(35-11-10-29-24(20)35)34-25(37)18-12-31-26(28)32-13-18/h3-9,12-13,16,19,30,36H,10-11,14-15H2,1-2H3,(H2,28,31,32)(H,33,34,37)/t16-,19?/s2
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<10n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
For the assay 50 nL of a 80-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384-well microtiter plate (G...


US Patent US9675616 (2017)


BindingDB Entry DOI: 10.7270/Q2H41PKX
More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM50239546
PNG
(CHEMBL4065004)
Show SMILES CNCc1cccc(Cc2c(cc3scc(C)n3c2=O)[C@H](C)Nc2ncnc(N)c2C#N)c1
Show InChI InChI=1/C24H25N7OS/c1-14-12-33-21-9-18(15(2)30-23-20(10-25)22(26)28-13-29-23)19(24(32)31(14)21)8-16-5-4-6-17(7-16)11-27-3/h4-7,9,12-13,15,27H,8,11H2,1-3H3,(H3,26,28,29,30)/t15-/s2
PDB

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Article
PubMed
n/an/a 10n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His6-tagged PI3K p110beta/p85alpha using DiC8-PIP2 as substrate preincubated for 15 mins followed by substrate additi...


J Med Chem 60: 5057-5071 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00401
BindingDB Entry DOI: 10.7270/Q2T43W8X
More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM50450688
PNG
(CHEMBL4168086)
Show SMILES C[C@H](Nc1ncnc2[nH]cc(-c3cccc4[nH]ccc34)c12)c1nn2ccc(C)c2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C29H22N8O/c1-17-12-14-36-25(17)29(38)37(19-7-4-3-5-8-19)28(35-36)18(2)34-27-24-22(15-31-26(24)32-16-33-27)20-9-6-10-23-21(20)11-13-30-23/h3-16,18H,1-2H3,(H,32,33,34)/b22-20+/t18-/m0/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
UniChem
PubMed
n/an/a 12n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His6-tagged full length p110beta/recombinant human full length p85alpha using PIP2 as substrate preincubat...


J Med Chem 61: 9551-9567 (2018)

More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM50239557
PNG
(CHEMBL4102634)
Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1-c1cccc(CN(C)CCCN(C)Cc2ccc(Cl)cc2)c1
Show InChI InChI=1/C34H37ClN8OS/c1-22-20-45-30-16-28(23(2)40-33-29(17-36)32(37)38-21-39-33)31(34(44)43(22)30)26-8-5-7-25(15-26)19-42(4)14-6-13-41(3)18-24-9-11-27(35)12-10-24/h5,7-12,15-16,20-21,23H,6,13-14,18-19H2,1-4H3,(H3,37,38,39,40)/t23-/s2
PDB

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PubMed
n/an/a 13n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His6-tagged PI3K p110beta/p85alpha using DiC8-PIP2 as substrate preincubated for 15 mins followed by substrate additi...


J Med Chem 60: 5057-5071 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00401
BindingDB Entry DOI: 10.7270/Q2T43W8X
More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM50450693
PNG
(CHEMBL4164842)
Show SMILES COc1cccc(-c2c[nH]c3ncnc(N[C@@H](C)c4nn5ccc(C)c5c(=O)n4-c4ccccc4)c23)c1O
Show InChI InChI=1/C28H25N7O3/c1-16-12-13-34-23(16)28(37)35(18-8-5-4-6-9-18)27(33-34)17(2)32-26-22-20(14-29-25(22)30-15-31-26)19-10-7-11-21(38-3)24(19)36/h4-15,17,36H,1-3H3,(H2,29,30,31,32)/t17-/s2
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
UniChem
PubMed
n/an/a 14n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His6-tagged full length p110beta/recombinant human full length p85alpha using PIP2 as substrate preincubat...


J Med Chem 61: 9551-9567 (2018)

More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM50501401
PNG
(CHEMBL4092381)
Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cn[nH]c1
Show InChI InChI=1S/C18H14ClN9O/c1-9(26-16-11(5-20)15(21)22-8-23-16)17-27-13-4-2-3-12(19)14(13)18(29)28(17)10-6-24-25-7-10/h2-4,6-9H,1H3,(H,24,25)(H3,21,22,23,26)/t9-/m0/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
UniChem
PubMed
n/an/a 14n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged recombinant full-length human PI3K p110beta/untagged recombinant full length human p85alpha expressed in baculov...


J Med Chem 60: 1555-1567 (2017)

More data for this
Ligand-Target Pair
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