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PubMed code 22325943

Compile data set for download or QSAR
Found 71 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50365517
PNG
(CHEMBL1957508)
Show SMILES COCCCNC(=O)c1cn2cc(nc(N3CCOCC3)c2n1)-c1cccc2[nH]ncc12
Show InChI InChI=1S/C22H25N7O3/c1-31-9-3-6-23-22(30)19-14-29-13-18(15-4-2-5-17-16(15)12-24-27-17)25-20(21(29)26-19)28-7-10-32-11-8-28/h2,4-5,12-14H,3,6-11H2,1H3,(H,23,30)(H,24,27)
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PubMed
2.80n/an/an/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO). C/Melchor Fern£ndez Almagro 3

Curated by ChEMBL


Assay Description
Inhibition of human PI3K p110delta/p85alpha


Bioorg Med Chem Lett 22: 1874-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.074
BindingDB Entry DOI: 10.7270/Q29Z95DX
More data for this
Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50365514
PNG
(CHEMBL1957505)
Show SMILES CN(C)CCCNC(=O)c1cn2cc(nc(N3CCOCC3)c2n1)-c1cccc2[nH]ncc12
Show InChI InChI=1S/C23H28N8O2/c1-29(2)8-4-7-24-23(32)20-15-31-14-19(16-5-3-6-18-17(16)13-25-28-18)26-21(22(31)27-20)30-9-11-33-12-10-30/h3,5-6,13-15H,4,7-12H2,1-2H3,(H,24,32)(H,25,28)
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3.60n/an/an/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO). C/Melchor Fern£ndez Almagro 3

Curated by ChEMBL


Assay Description
Inhibition of human PI3K p110delta/p85alpha


Bioorg Med Chem Lett 22: 1874-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.074
BindingDB Entry DOI: 10.7270/Q29Z95DX
More data for this
Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50365513
PNG
(CHEMBL1957504)
Show SMILES O=C(NCCN1CCOCC1)c1cn2cc(nc(N3CCOCC3)c2n1)-c1cccc2[nH]ncc12
Show InChI InChI=1S/C24H28N8O3/c33-24(25-4-5-30-6-10-34-11-7-30)21-16-32-15-20(17-2-1-3-19-18(17)14-26-29-19)27-22(23(32)28-21)31-8-12-35-13-9-31/h1-3,14-16H,4-13H2,(H,25,33)(H,26,29)
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6.5n/an/an/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO). C/Melchor Fern£ndez Almagro 3

Curated by ChEMBL


Assay Description
Inhibition of human PI3K p110delta/p85alpha


Bioorg Med Chem Lett 22: 1874-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.074
BindingDB Entry DOI: 10.7270/Q29Z95DX
More data for this
Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50365507
PNG
(CHEMBL1957498)
Show SMILES CS(=O)(=O)N1CCN(Cc2nc3c(nc(cn3c2Br)-c2cccc3[nH]ncc23)N2CCOCC2)CC1
Show InChI InChI=1S/C23H27BrN8O3S/c1-36(33,34)31-7-5-29(6-8-31)14-20-21(24)32-15-19(16-3-2-4-18-17(16)13-25-28-18)26-22(23(32)27-20)30-9-11-35-12-10-30/h2-4,13,15H,5-12,14H2,1H3,(H,25,28)
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8n/an/an/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO). C/Melchor Fern£ndez Almagro 3

Curated by ChEMBL


Assay Description
Inhibition of human PI3K p110delta/p85alpha


Bioorg Med Chem Lett 22: 1874-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.074
BindingDB Entry DOI: 10.7270/Q29Z95DX
More data for this
Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50365511
PNG
(CHEMBL1957502)
Show SMILES CNC(=O)c1cn2cc(nc(N3CCOCC3)c2n1)-c1cccc2[nH]ncc12
Show InChI InChI=1S/C19H19N7O2/c1-20-19(27)16-11-26-10-15(12-3-2-4-14-13(12)9-21-24-14)22-17(18(26)23-16)25-5-7-28-8-6-25/h2-4,9-11H,5-8H2,1H3,(H,20,27)(H,21,24)
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17.1n/an/an/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO). C/Melchor Fern£ndez Almagro 3

Curated by ChEMBL


Assay Description
Inhibition of human PI3K p110delta/p85alpha


Bioorg Med Chem Lett 22: 1874-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.074
BindingDB Entry DOI: 10.7270/Q29Z95DX
More data for this
Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50365506
PNG
(CHEMBL1957497)
Show SMILES CS(=O)(=O)N1CCN(Cc2cn3cc(nc(N4CCOCC4)c3n2)-c2cccc3[nH]ncc23)CC1
Show InChI InChI=1S/C23H28N8O3S/c1-35(32,33)31-7-5-28(6-8-31)14-17-15-30-16-21(18-3-2-4-20-19(18)13-24-27-20)26-23(22(30)25-17)29-9-11-34-12-10-29/h2-4,13,15-16H,5-12,14H2,1H3,(H,24,27)
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29n/an/an/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO). C/Melchor Fern£ndez Almagro 3

Curated by ChEMBL


Assay Description
Inhibition of human PI3K p110delta/p85alpha


Bioorg Med Chem Lett 22: 1874-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.074
BindingDB Entry DOI: 10.7270/Q29Z95DX
More data for this
Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50365508
PNG
(CHEMBL1957499)
Show SMILES CS(=O)(=O)N1CCN(Cc2cn3c(C#N)c(nc(N4CCOCC4)c3n2)-c2cccc3[nH]ncc23)CC1
Show InChI InChI=1S/C24H27N9O3S/c1-37(34,35)32-7-5-30(6-8-32)15-17-16-33-21(13-25)22(18-3-2-4-20-19(18)14-26-29-20)28-23(24(33)27-17)31-9-11-36-12-10-31/h2-4,14,16H,5-12,15H2,1H3,(H,26,29)
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43n/an/an/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO). C/Melchor Fern£ndez Almagro 3

Curated by ChEMBL


Assay Description
Inhibition of human PI3K p110delta/p85alpha


Bioorg Med Chem Lett 22: 1874-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.074
BindingDB Entry DOI: 10.7270/Q29Z95DX
More data for this
Ligand-Target Pair
p110α/p85α


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50365514
PNG
(CHEMBL1957505)
Show SMILES CN(C)CCCNC(=O)c1cn2cc(nc(N3CCOCC3)c2n1)-c1cccc2[nH]ncc12
Show InChI InChI=1S/C23H28N8O2/c1-29(2)8-4-7-24-23(32)20-15-31-14-19(16-5-3-6-18-17(16)13-25-28-18)26-21(22(31)27-20)30-9-11-33-12-10-30/h3,5-6,13-15H,4,7-12H2,1-2H3,(H,24,32)(H,25,28)
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44n/an/an/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO). C/Melchor Fern£ndez Almagro 3

Curated by ChEMBL


Assay Description
Inhibition of human PI3K p110alpha/p85alpha


Bioorg Med Chem Lett 22: 1874-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.074
BindingDB Entry DOI: 10.7270/Q29Z95DX
More data for this
Ligand-Target Pair
p110α/p85α


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50365517
PNG
(CHEMBL1957508)
Show SMILES COCCCNC(=O)c1cn2cc(nc(N3CCOCC3)c2n1)-c1cccc2[nH]ncc12
Show InChI InChI=1S/C22H25N7O3/c1-31-9-3-6-23-22(30)19-14-29-13-18(15-4-2-5-17-16(15)12-24-27-17)25-20(21(29)26-19)28-7-10-32-11-8-28/h2,4-5,12-14H,3,6-11H2,1H3,(H,23,30)(H,24,27)
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60n/an/an/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO). C/Melchor Fern£ndez Almagro 3

Curated by ChEMBL


Assay Description
Inhibition of human PI3K p110alpha/p85alpha


Bioorg Med Chem Lett 22: 1874-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.074
BindingDB Entry DOI: 10.7270/Q29Z95DX
More data for this
Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50365509
PNG
(CHEMBL1957500)
Show SMILES CS(=O)(=O)N1CCN(Cc2cn3c(Cl)c(nc(N4CCOCC4)c3n2)-c2cccc3[nH]ncc23)CC1
Show InChI InChI=1S/C23H27ClN8O3S/c1-36(33,34)31-7-5-29(6-8-31)14-16-15-32-21(24)20(17-3-2-4-19-18(17)13-25-28-19)27-22(23(32)26-16)30-9-11-35-12-10-30/h2-4,13,15H,5-12,14H2,1H3,(H,25,28)
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65n/an/an/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO). C/Melchor Fern£ndez Almagro 3

Curated by ChEMBL


Assay Description
Inhibition of human PI3K p110delta/p85alpha


Bioorg Med Chem Lett 22: 1874-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.074
BindingDB Entry DOI: 10.7270/Q29Z95DX
More data for this
Ligand-Target Pair
p110α/p85α


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50365513
PNG
(CHEMBL1957504)
Show SMILES O=C(NCCN1CCOCC1)c1cn2cc(nc(N3CCOCC3)c2n1)-c1cccc2[nH]ncc12
Show InChI InChI=1S/C24H28N8O3/c33-24(25-4-5-30-6-10-34-11-7-30)21-16-32-15-20(17-2-1-3-19-18(17)14-26-29-19)27-22(23(32)28-21)31-8-12-35-13-9-31/h1-3,14-16H,4-13H2,(H,25,33)(H,26,29)
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65n/an/an/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO). C/Melchor Fern£ndez Almagro 3

Curated by ChEMBL


Assay Description
Inhibition of human PI3K p110alpha/p85alpha


Bioorg Med Chem Lett 22: 1874-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.074
BindingDB Entry DOI: 10.7270/Q29Z95DX
More data for this
Ligand-Target Pair
p110α/p85α


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50365507
PNG
(CHEMBL1957498)
Show SMILES CS(=O)(=O)N1CCN(Cc2nc3c(nc(cn3c2Br)-c2cccc3[nH]ncc23)N2CCOCC2)CC1
Show InChI InChI=1S/C23H27BrN8O3S/c1-36(33,34)31-7-5-29(6-8-31)14-20-21(24)32-15-19(16-3-2-4-18-17(16)13-25-28-18)26-22(23(32)27-20)30-9-11-35-12-10-30/h2-4,13,15H,5-12,14H2,1H3,(H,25,28)
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86n/an/an/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO). C/Melchor Fern£ndez Almagro 3

Curated by ChEMBL


Assay Description
Inhibition of human PI3K p110alpha/p85alpha


Bioorg Med Chem Lett 22: 1874-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.074
BindingDB Entry DOI: 10.7270/Q29Z95DX
More data for this
Ligand-Target Pair
p110α/p85α


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50365511
PNG
(CHEMBL1957502)
Show SMILES CNC(=O)c1cn2cc(nc(N3CCOCC3)c2n1)-c1cccc2[nH]ncc12
Show InChI InChI=1S/C19H19N7O2/c1-20-19(27)16-11-26-10-15(12-3-2-4-14-13(12)9-21-24-14)22-17(18(26)23-16)25-5-7-28-8-6-25/h2-4,9-11H,5-8H2,1H3,(H,20,27)(H,21,24)
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102n/an/an/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO). C/Melchor Fern£ndez Almagro 3

Curated by ChEMBL


Assay Description
Inhibition of human PI3K p110alpha/p85alpha


Bioorg Med Chem Lett 22: 1874-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.074
BindingDB Entry DOI: 10.7270/Q29Z95DX
More data for this
Ligand-Target Pair
p110α/p85α


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50365506
PNG
(CHEMBL1957497)
Show SMILES CS(=O)(=O)N1CCN(Cc2cn3cc(nc(N4CCOCC4)c3n2)-c2cccc3[nH]ncc23)CC1
Show InChI InChI=1S/C23H28N8O3S/c1-35(32,33)31-7-5-28(6-8-31)14-17-15-30-16-21(18-3-2-4-20-19(18)13-24-27-20)26-23(22(30)25-17)29-9-11-34-12-10-29/h2-4,13,15-16H,5-12,14H2,1H3,(H,24,27)
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181n/an/an/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO). C/Melchor Fern£ndez Almagro 3

Curated by ChEMBL


Assay Description
Inhibition of human PI3K p110alpha/p85alpha


Bioorg Med Chem Lett 22: 1874-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.074
BindingDB Entry DOI: 10.7270/Q29Z95DX
More data for this
Ligand-Target Pair
p110α/p85α


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50365509
PNG
(CHEMBL1957500)
Show SMILES CS(=O)(=O)N1CCN(Cc2cn3c(Cl)c(nc(N4CCOCC4)c3n2)-c2cccc3[nH]ncc23)CC1
Show InChI InChI=1S/C23H27ClN8O3S/c1-36(33,34)31-7-5-29(6-8-31)14-16-15-32-21(24)20(17-3-2-4-19-18(17)13-25-28-19)27-22(23(32)26-16)30-9-11-35-12-10-30/h2-4,13,15H,5-12,14H2,1H3,(H,25,28)
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210n/an/an/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO). C/Melchor Fern£ndez Almagro 3

Curated by ChEMBL


Assay Description
Inhibition of human PI3K p110alpha/p85alpha


Bioorg Med Chem Lett 22: 1874-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.074
BindingDB Entry DOI: 10.7270/Q29Z95DX
More data for this
Ligand-Target Pair
p110α/p85α


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50365508
PNG
(CHEMBL1957499)
Show SMILES CS(=O)(=O)N1CCN(Cc2cn3c(C#N)c(nc(N4CCOCC4)c3n2)-c2cccc3[nH]ncc23)CC1
Show InChI InChI=1S/C24H27N9O3S/c1-37(34,35)32-7-5-30(6-8-32)15-17-16-33-21(13-25)22(18-3-2-4-20-19(18)14-26-29-20)28-23(24(33)27-17)31-9-11-36-12-10-31/h2-4,14,16H,5-12,15H2,1H3,(H,26,29)
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410n/an/an/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO). C/Melchor Fern£ndez Almagro 3

Curated by ChEMBL


Assay Description
Inhibition of human PI3K p110alpha/p85alpha


Bioorg Med Chem Lett 22: 1874-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.074
BindingDB Entry DOI: 10.7270/Q29Z95DX
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (human))
BDBM50365517
PNG
(CHEMBL1957508)
Show SMILES COCCCNC(=O)c1cn2cc(nc(N3CCOCC3)c2n1)-c1cccc2[nH]ncc12
Show InChI InChI=1S/C22H25N7O3/c1-31-9-3-6-23-22(30)19-14-29-13-18(15-4-2-5-17-16(15)12-24-27-17)25-20(21(29)26-19)28-7-10-32-11-8-28/h2,4-5,12-14H,3,6-11H2,1H3,(H,23,30)(H,24,27)
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>500n/an/an/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO). C/Melchor Fern£ndez Almagro 3

Curated by ChEMBL


Assay Description
Inhibition of human PI3K p110gamma


Bioorg Med Chem Lett 22: 1874-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.074
BindingDB Entry DOI: 10.7270/Q29Z95DX
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (human))
BDBM50365508
PNG
(CHEMBL1957499)
Show SMILES CS(=O)(=O)N1CCN(Cc2cn3c(C#N)c(nc(N4CCOCC4)c3n2)-c2cccc3[nH]ncc23)CC1
Show InChI InChI=1S/C24H27N9O3S/c1-37(34,35)32-7-5-30(6-8-32)15-17-16-33-21(13-25)22(18-3-2-4-20-19(18)14-26-29-20)28-23(24(33)27-17)31-9-11-36-12-10-31/h2-4,14,16H,5-12,15H2,1H3,(H,26,29)
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>500n/an/an/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO). C/Melchor Fern£ndez Almagro 3

Curated by ChEMBL


Assay Description
Inhibition of human PI3K p110gamma


Bioorg Med Chem Lett 22: 1874-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.074
BindingDB Entry DOI: 10.7270/Q29Z95DX
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (human))
BDBM50365506
PNG
(CHEMBL1957497)
Show SMILES CS(=O)(=O)N1CCN(Cc2cn3cc(nc(N4CCOCC4)c3n2)-c2cccc3[nH]ncc23)CC1
Show InChI InChI=1S/C23H28N8O3S/c1-35(32,33)31-7-5-28(6-8-31)14-17-15-30-16-21(18-3-2-4-20-19(18)13-24-27-20)26-23(22(30)25-17)29-9-11-34-12-10-29/h2-4,13,15-16H,5-12,14H2,1H3,(H,24,27)
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>500n/an/an/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO). C/Melchor Fern£ndez Almagro 3

Curated by ChEMBL


Assay Description
Inhibition of human PI3K p110gamma


Bioorg Med Chem Lett 22: 1874-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.074
BindingDB Entry DOI: 10.7270/Q29Z95DX
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (human))
BDBM50365511
PNG
(CHEMBL1957502)
Show SMILES CNC(=O)c1cn2cc(nc(N3CCOCC3)c2n1)-c1cccc2[nH]ncc12
Show InChI InChI=1S/C19H19N7O2/c1-20-19(27)16-11-26-10-15(12-3-2-4-14-13(12)9-21-24-14)22-17(18(26)23-16)25-5-7-28-8-6-25/h2-4,9-11H,5-8H2,1H3,(H,20,27)(H,21,24)
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>500n/an/an/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO). C/Melchor Fern£ndez Almagro 3

Curated by ChEMBL


Assay Description
Inhibition of human PI3K p110gamma


Bioorg Med Chem Lett 22: 1874-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.074
BindingDB Entry DOI: 10.7270/Q29Z95DX
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (human))
BDBM50365513
PNG
(CHEMBL1957504)
Show SMILES O=C(NCCN1CCOCC1)c1cn2cc(nc(N3CCOCC3)c2n1)-c1cccc2[nH]ncc12
Show InChI InChI=1S/C24H28N8O3/c33-24(25-4-5-30-6-10-34-11-7-30)21-16-32-15-20(17-2-1-3-19-18(17)14-26-29-19)27-22(23(32)28-21)31-8-12-35-13-9-31/h1-3,14-16H,4-13H2,(H,25,33)(H,26,29)
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>500n/an/an/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO). C/Melchor Fern£ndez Almagro 3

Curated by ChEMBL


Assay Description
Inhibition of human PI3K p110gamma


Bioorg Med Chem Lett 22: 1874-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.074
BindingDB Entry DOI: 10.7270/Q29Z95DX
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (human))
BDBM50365507
PNG
(CHEMBL1957498)
Show SMILES CS(=O)(=O)N1CCN(Cc2nc3c(nc(cn3c2Br)-c2cccc3[nH]ncc23)N2CCOCC2)CC1
Show InChI InChI=1S/C23H27BrN8O3S/c1-36(33,34)31-7-5-29(6-8-31)14-20-21(24)32-15-19(16-3-2-4-18-17(16)13-25-28-18)26-22(23(32)27-20)30-9-11-35-12-10-30/h2-4,13,15H,5-12,14H2,1H3,(H,25,28)
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>500n/an/an/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO). C/Melchor Fern£ndez Almagro 3

Curated by ChEMBL


Assay Description
Inhibition of human PI3K p110gamma


Bioorg Med Chem Lett 22: 1874-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.074
BindingDB Entry DOI: 10.7270/Q29Z95DX
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (human))
BDBM50365509
PNG
(CHEMBL1957500)
Show SMILES CS(=O)(=O)N1CCN(Cc2cn3c(Cl)c(nc(N4CCOCC4)c3n2)-c2cccc3[nH]ncc23)CC1
Show InChI InChI=1S/C23H27ClN8O3S/c1-36(33,34)31-7-5-29(6-8-31)14-16-15-32-21(24)20(17-3-2-4-19-18(17)13-25-28-19)27-22(23(32)26-16)30-9-11-35-12-10-30/h2-4,13,15H,5-12,14H2,1H3,(H,25,28)
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Spanish National Cancer Research Centre (CNIO). C/Melchor Fern£ndez Almagro 3

Curated by ChEMBL


Assay Description
Inhibition of human PI3K p110gamma


Bioorg Med Chem Lett 22: 1874-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.074
BindingDB Entry DOI: 10.7270/Q29Z95DX
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (human))
BDBM50365514
PNG
(CHEMBL1957505)
Show SMILES CN(C)CCCNC(=O)c1cn2cc(nc(N3CCOCC3)c2n1)-c1cccc2[nH]ncc12
Show InChI InChI=1S/C23H28N8O2/c1-29(2)8-4-7-24-23(32)20-15-31-14-19(16-5-3-6-18-17(16)13-25-28-18)26-21(22(31)27-20)30-9-11-33-12-10-30/h3,5-6,13-15H,4,7-12H2,1-2H3,(H,24,32)(H,25,28)
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>500n/an/an/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO). C/Melchor Fern£ndez Almagro 3

Curated by ChEMBL


Assay Description
Inhibition of human PI3K p110gamma


Bioorg Med Chem Lett 22: 1874-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.074
BindingDB Entry DOI: 10.7270/Q29Z95DX
More data for this
Ligand-Target Pair
p110α/p85α


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50365517
PNG
(CHEMBL1957508)
Show SMILES COCCCNC(=O)c1cn2cc(nc(N3CCOCC3)c2n1)-c1cccc2[nH]ncc12
Show InChI InChI=1S/C22H25N7O3/c1-31-9-3-6-23-22(30)19-14-29-13-18(15-4-2-5-17-16(15)12-24-27-17)25-20(21(29)26-19)28-7-10-32-11-8-28/h2,4-5,12-14H,3,6-11H2,1H3,(H,23,30)(H,24,27)
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n/an/a 31n/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO). C/Melchor Fern£ndez Almagro 3

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110alpha/p85alpha


Bioorg Med Chem Lett 22: 1874-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.074
BindingDB Entry DOI: 10.7270/Q29Z95DX
More data for this
Ligand-Target Pair
p110α/p85α


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50365514
PNG
(CHEMBL1957505)
Show SMILES CN(C)CCCNC(=O)c1cn2cc(nc(N3CCOCC3)c2n1)-c1cccc2[nH]ncc12
Show InChI InChI=1S/C23H28N8O2/c1-29(2)8-4-7-24-23(32)20-15-31-14-19(16-5-3-6-18-17(16)13-25-28-18)26-21(22(31)27-20)30-9-11-33-12-10-30/h3,5-6,13-15H,4,7-12H2,1-2H3,(H,24,32)(H,25,28)
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n/an/a 35n/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO). C/Melchor Fern£ndez Almagro 3

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110alpha/p85alpha


Bioorg Med Chem Lett 22: 1874-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.074
BindingDB Entry DOI: 10.7270/Q29Z95DX
More data for this
Ligand-Target Pair
p110α/p85α


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50365515
PNG
(CHEMBL1957506)
Show SMILES CN(C)CCNC(=O)c1cn2cc(nc(N3CCOCC3)c2n1)-c1cccc2[nH]ncc12
Show InChI InChI=1S/C22H26N8O2/c1-28(2)7-6-23-22(31)19-14-30-13-18(15-4-3-5-17-16(15)12-24-27-17)25-20(21(30)26-19)29-8-10-32-11-9-29/h3-5,12-14H,6-11H2,1-2H3,(H,23,31)(H,24,27)
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n/an/a 35n/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO). C/Melchor Fern£ndez Almagro 3

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110alpha/p85alpha


Bioorg Med Chem Lett 22: 1874-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.074
BindingDB Entry DOI: 10.7270/Q29Z95DX
More data for this
Ligand-Target Pair
p110α/p85α


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50365526
PNG
(CHEMBL1957492)
Show SMILES CS(=O)(=O)N1CCN(Cc2cn3cc(nc(N4CCOCC4)c3n2)-c2cccc(O)c2)CC1
Show InChI InChI=1S/C22H28N6O4S/c1-33(30,31)28-7-5-25(6-8-28)14-18-15-27-16-20(17-3-2-4-19(29)13-17)24-22(21(27)23-18)26-9-11-32-12-10-26/h2-4,13,15-16,29H,5-12,14H2,1H3
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n/an/a 37n/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO). C/Melchor Fern£ndez Almagro 3

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110alpha/p85alpha


Bioorg Med Chem Lett 22: 1874-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.074
BindingDB Entry DOI: 10.7270/Q29Z95DX
More data for this
Ligand-Target Pair
p110α/p85α


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50365513
PNG
(CHEMBL1957504)
Show SMILES O=C(NCCN1CCOCC1)c1cn2cc(nc(N3CCOCC3)c2n1)-c1cccc2[nH]ncc12
Show InChI InChI=1S/C24H28N8O3/c33-24(25-4-5-30-6-10-34-11-7-30)21-16-32-15-20(17-2-1-3-19-18(17)14-26-29-19)27-22(23(32)28-21)31-8-12-35-13-9-31/h1-3,14-16H,4-13H2,(H,25,33)(H,26,29)
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n/an/a 38n/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO). C/Melchor Fern£ndez Almagro 3

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110alpha/p85alpha


Bioorg Med Chem Lett 22: 1874-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.074
BindingDB Entry DOI: 10.7270/Q29Z95DX
More data for this
Ligand-Target Pair
p110α/p85α


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50365507
PNG
(CHEMBL1957498)
Show SMILES CS(=O)(=O)N1CCN(Cc2nc3c(nc(cn3c2Br)-c2cccc3[nH]ncc23)N2CCOCC2)CC1
Show InChI InChI=1S/C23H27BrN8O3S/c1-36(33,34)31-7-5-29(6-8-31)14-20-21(24)32-15-19(16-3-2-4-18-17(16)13-25-28-18)26-22(23(32)27-20)30-9-11-35-12-10-30/h2-4,13,15H,5-12,14H2,1H3,(H,25,28)
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n/an/a 47n/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO). C/Melchor Fern£ndez Almagro 3

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110alpha/p85alpha


Bioorg Med Chem Lett 22: 1874-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.074
BindingDB Entry DOI: 10.7270/Q29Z95DX
More data for this
Ligand-Target Pair
p110α/p85α


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50365516
PNG
(CHEMBL1957507)
Show SMILES COCCNC(=O)c1cn2cc(nc(N3CCOCC3)c2n1)-c1cccc2[nH]ncc12
Show InChI InChI=1S/C21H23N7O3/c1-30-8-5-22-21(29)18-13-28-12-17(14-3-2-4-16-15(14)11-23-26-16)24-19(20(28)25-18)27-6-9-31-10-7-27/h2-4,11-13H,5-10H2,1H3,(H,22,29)(H,23,26)
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n/an/a 50n/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO). C/Melchor Fern£ndez Almagro 3

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110alpha/p85alpha


Bioorg Med Chem Lett 22: 1874-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.074
BindingDB Entry DOI: 10.7270/Q29Z95DX
More data for this
Ligand-Target Pair
p110α/p85α


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50365512
PNG
(CHEMBL1957503)
Show SMILES CCNC(=O)c1cn2cc(nc(N3CCOCC3)c2n1)-c1cccc2[nH]ncc12
Show InChI InChI=1S/C20H21N7O2/c1-2-21-20(28)17-12-27-11-16(13-4-3-5-15-14(13)10-22-25-15)23-18(19(27)24-17)26-6-8-29-9-7-26/h3-5,10-12H,2,6-9H2,1H3,(H,21,28)(H,22,25)
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n/an/a 92n/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO). C/Melchor Fern£ndez Almagro 3

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110alpha/p85alpha


Bioorg Med Chem Lett 22: 1874-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.074
BindingDB Entry DOI: 10.7270/Q29Z95DX
More data for this
Ligand-Target Pair
p110α/p85α


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50365506
PNG
(CHEMBL1957497)
Show SMILES CS(=O)(=O)N1CCN(Cc2cn3cc(nc(N4CCOCC4)c3n2)-c2cccc3[nH]ncc23)CC1
Show InChI InChI=1S/C23H28N8O3S/c1-35(32,33)31-7-5-28(6-8-31)14-17-15-30-16-21(18-3-2-4-20-19(18)13-24-27-20)26-23(22(30)25-17)29-9-11-34-12-10-29/h2-4,13,15-16H,5-12,14H2,1H3,(H,24,27)
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n/an/a 95n/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO). C/Melchor Fern£ndez Almagro 3

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110alpha/p85alpha


Bioorg Med Chem Lett 22: 1874-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.074
BindingDB Entry DOI: 10.7270/Q29Z95DX
More data for this
Ligand-Target Pair
p110α/p85α


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50365519
PNG
(CHEMBL1957485)
Show SMILES Cc1cn2cc(nc(N3CCOCC3)c2n1)-c1cccc(O)c1
Show InChI InChI=1S/C17H18N4O2/c1-12-10-21-11-15(13-3-2-4-14(22)9-13)19-17(16(21)18-12)20-5-7-23-8-6-20/h2-4,9-11,22H,5-8H2,1H3
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n/an/a 96n/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO). C/Melchor Fern£ndez Almagro 3

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110alpha/p85alpha


Bioorg Med Chem Lett 22: 1874-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.074
BindingDB Entry DOI: 10.7270/Q29Z95DX
More data for this
Ligand-Target Pair
p110α/p85α


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50365510
PNG
(CHEMBL1957501)
Show SMILES NC(=O)c1cn2cc(nc(N3CCOCC3)c2n1)-c1cccc2[nH]ncc12
Show InChI InChI=1S/C18H17N7O2/c19-16(26)15-10-25-9-14(11-2-1-3-13-12(11)8-20-23-13)21-17(18(25)22-15)24-4-6-27-7-5-24/h1-3,8-10H,4-7H2,(H2,19,26)(H,20,23)
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n/an/a 107n/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO). C/Melchor Fern£ndez Almagro 3

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110alpha/p85alpha


Bioorg Med Chem Lett 22: 1874-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.074
BindingDB Entry DOI: 10.7270/Q29Z95DX
More data for this
Ligand-Target Pair
p110α/p85α


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50365521
PNG
(CHEMBL1957487)
Show SMILES Oc1cccc(c1)-c1cn2cc(nc2c(n1)N1CCOCC1)C(F)(F)F
Show InChI InChI=1S/C17H15F3N4O2/c18-17(19,20)14-10-24-9-13(11-2-1-3-12(25)8-11)21-15(16(24)22-14)23-4-6-26-7-5-23/h1-3,8-10,25H,4-7H2
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n/an/a 108n/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO). C/Melchor Fern£ndez Almagro 3

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110alpha/p85alpha


Bioorg Med Chem Lett 22: 1874-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.074
BindingDB Entry DOI: 10.7270/Q29Z95DX
More data for this
Ligand-Target Pair
p110α/p85α


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50365511
PNG
(CHEMBL1957502)
Show SMILES CNC(=O)c1cn2cc(nc(N3CCOCC3)c2n1)-c1cccc2[nH]ncc12
Show InChI InChI=1S/C19H19N7O2/c1-20-19(27)16-11-26-10-15(12-3-2-4-14-13(12)9-21-24-14)22-17(18(26)23-16)25-5-7-28-8-6-25/h2-4,9-11H,5-8H2,1H3,(H,20,27)(H,21,24)
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n/an/a 110n/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO). C/Melchor Fern£ndez Almagro 3

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110alpha/p85alpha


Bioorg Med Chem Lett 22: 1874-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.074
BindingDB Entry DOI: 10.7270/Q29Z95DX
More data for this
Ligand-Target Pair
p110α/p85α


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50365509
PNG
(CHEMBL1957500)
Show SMILES CS(=O)(=O)N1CCN(Cc2cn3c(Cl)c(nc(N4CCOCC4)c3n2)-c2cccc3[nH]ncc23)CC1
Show InChI InChI=1S/C23H27ClN8O3S/c1-36(33,34)31-7-5-29(6-8-31)14-16-15-32-21(24)20(17-3-2-4-19-18(17)13-25-28-19)27-22(23(32)26-16)30-9-11-35-12-10-30/h2-4,13,15H,5-12,14H2,1H3,(H,25,28)
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n/an/a 145n/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO). C/Melchor Fern£ndez Almagro 3

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110alpha/p85alpha


Bioorg Med Chem Lett 22: 1874-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.074
BindingDB Entry DOI: 10.7270/Q29Z95DX
More data for this
Ligand-Target Pair
p110α/p85α


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50365508
PNG
(CHEMBL1957499)
Show SMILES CS(=O)(=O)N1CCN(Cc2cn3c(C#N)c(nc(N4CCOCC4)c3n2)-c2cccc3[nH]ncc23)CC1
Show InChI InChI=1S/C24H27N9O3S/c1-37(34,35)32-7-5-30(6-8-32)15-17-16-33-21(13-25)22(18-3-2-4-20-19(18)14-26-29-20)28-23(24(33)27-17)31-9-11-36-12-10-31/h2-4,14,16H,5-12,15H2,1H3,(H,26,29)
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n/an/a 194n/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO). C/Melchor Fern£ndez Almagro 3

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110alpha/p85alpha


Bioorg Med Chem Lett 22: 1874-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.074
BindingDB Entry DOI: 10.7270/Q29Z95DX
More data for this
Ligand-Target Pair
p110α/p85α


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50365518
PNG
(CHEMBL1957484)
Show SMILES Oc1cccc(c1)-c1cn2ccnc2c(n1)N1CCOCC1
Show InChI InChI=1S/C16H16N4O2/c21-13-3-1-2-12(10-13)14-11-20-5-4-17-15(20)16(18-14)19-6-8-22-9-7-19/h1-5,10-11,21H,6-9H2
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n/an/a 197n/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO). C/Melchor Fern£ndez Almagro 3

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110alpha/p85alpha


Bioorg Med Chem Lett 22: 1874-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.074
BindingDB Entry DOI: 10.7270/Q29Z95DX
More data for this
Ligand-Target Pair
p110α/p85α


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50365520
PNG
(CHEMBL1957486)
Show SMILES Oc1cccc(c1)-c1cn2cc(nc2c(n1)N1CCOCC1)C1CC1
Show InChI InChI=1S/C19H20N4O2/c24-15-3-1-2-14(10-15)17-12-23-11-16(13-4-5-13)20-19(23)18(21-17)22-6-8-25-9-7-22/h1-3,10-13,24H,4-9H2
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n/an/a 340n/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO). C/Melchor Fern£ndez Almagro 3

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110alpha/p85alpha


Bioorg Med Chem Lett 22: 1874-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.074
BindingDB Entry DOI: 10.7270/Q29Z95DX
More data for this
Ligand-Target Pair
p110α/p85α


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50365523
PNG
(CHEMBL1957489)
Show SMILES Oc1cccc(c1)-c1cn2cc(CN3CCOCC3)nc2c(n1)N1CCOCC1
Show InChI InChI=1S/C21H25N5O3/c27-18-3-1-2-16(12-18)19-15-26-14-17(13-24-4-8-28-9-5-24)22-20(26)21(23-19)25-6-10-29-11-7-25/h1-3,12,14-15,27H,4-11,13H2
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n/an/a 444n/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO). C/Melchor Fern£ndez Almagro 3

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110alpha/p85alpha


Bioorg Med Chem Lett 22: 1874-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.074
BindingDB Entry DOI: 10.7270/Q29Z95DX
More data for this
Ligand-Target Pair
p110α/p85α


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50365525
PNG
(CHEMBL1957491)
Show SMILES CC(=O)N1CCN(Cc2cn3cc(nc(N4CCOCC4)c3n2)-c2cccc(O)c2)CC1
Show InChI InChI=1S/C23H28N6O3/c1-17(30)27-7-5-26(6-8-27)14-19-15-29-16-21(18-3-2-4-20(31)13-18)25-23(22(29)24-19)28-9-11-32-12-10-28/h2-4,13,15-16,31H,5-12,14H2,1H3
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Spanish National Cancer Research Centre (CNIO). C/Melchor Fern£ndez Almagro 3

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110alpha/p85alpha


Bioorg Med Chem Lett 22: 1874-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.074
BindingDB Entry DOI: 10.7270/Q29Z95DX
More data for this
Ligand-Target Pair
p110α/p85α


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50365528
PNG
(CHEMBL1957494)
Show SMILES CN1CCN(CC1)c1cnc2c(nc(cn12)-c1cccc(O)c1)N1CCOCC1
Show InChI InChI=1S/C21H26N6O2/c1-24-5-7-25(8-6-24)19-14-22-20-21(26-9-11-29-12-10-26)23-18(15-27(19)20)16-3-2-4-17(28)13-16/h2-4,13-15,28H,5-12H2,1H3
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n/an/a 512n/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO). C/Melchor Fern£ndez Almagro 3

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110alpha/p85alpha


Bioorg Med Chem Lett 22: 1874-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.074
BindingDB Entry DOI: 10.7270/Q29Z95DX
More data for this
Ligand-Target Pair
p110α/p85α


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50365530
PNG
(CHEMBL1957496)
Show SMILES CS(=O)(=O)N1CCN(CC1)c1cnc2c(nc(cn12)-c1cccc(O)c1)N1CCOCC1
Show InChI InChI=1S/C21H26N6O4S/c1-32(29,30)26-7-5-24(6-8-26)19-14-22-20-21(25-9-11-31-12-10-25)23-18(15-27(19)20)16-3-2-4-17(28)13-16/h2-4,13-15,28H,5-12H2,1H3
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n/an/a 526n/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO). C/Melchor Fern£ndez Almagro 3

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110alpha/p85alpha


Bioorg Med Chem Lett 22: 1874-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.074
BindingDB Entry DOI: 10.7270/Q29Z95DX
More data for this
Ligand-Target Pair
p110α/p85α


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50365527
PNG
(CHEMBL1957493)
Show SMILES Oc1cccc(c1)-c1cn2cc(CN3CCNC(=O)C3)nc2c(n1)N1CCOCC1
Show InChI InChI=1S/C21H24N6O3/c28-17-3-1-2-15(10-17)18-13-27-12-16(11-25-5-4-22-19(29)14-25)23-20(27)21(24-18)26-6-8-30-9-7-26/h1-3,10,12-13,28H,4-9,11,14H2,(H,22,29)
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n/an/a 540n/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO). C/Melchor Fern£ndez Almagro 3

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110alpha/p85alpha


Bioorg Med Chem Lett 22: 1874-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.074
BindingDB Entry DOI: 10.7270/Q29Z95DX
More data for this
Ligand-Target Pair
p110α/p85α


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50365522
PNG
(CHEMBL1957488)
Show SMILES OCc1cn2cc(nc(N3CCOCC3)c2n1)-c1cccc(O)c1
Show InChI InChI=1S/C17H18N4O3/c22-11-13-9-21-10-15(12-2-1-3-14(23)8-12)19-17(16(21)18-13)20-4-6-24-7-5-20/h1-3,8-10,22-23H,4-7,11H2
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n/an/a 639n/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO). C/Melchor Fern£ndez Almagro 3

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110alpha/p85alpha


Bioorg Med Chem Lett 22: 1874-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.074
BindingDB Entry DOI: 10.7270/Q29Z95DX
More data for this
Ligand-Target Pair
p110α/p85α


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50365529
PNG
(CHEMBL1957495)
Show SMILES Oc1cccc(c1)-c1cn2c(cnc2c(n1)N1CCOCC1)N1CCNCC1
Show InChI InChI=1S/C20H24N6O2/c27-16-3-1-2-15(12-16)17-14-26-18(24-6-4-21-5-7-24)13-22-19(26)20(23-17)25-8-10-28-11-9-25/h1-3,12-14,21,27H,4-11H2
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n/an/a 897n/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO). C/Melchor Fern£ndez Almagro 3

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110alpha/p85alpha


Bioorg Med Chem Lett 22: 1874-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.074
BindingDB Entry DOI: 10.7270/Q29Z95DX
More data for this
Ligand-Target Pair
p110α/p85α


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50365524
PNG
(CHEMBL1957490)
Show SMILES CN1CCN(Cc2cn3cc(nc(N4CCOCC4)c3n2)-c2cccc(O)c2)CC1
Show InChI InChI=1S/C22H28N6O2/c1-25-5-7-26(8-6-25)14-18-15-28-16-20(17-3-2-4-19(29)13-17)24-22(21(28)23-18)27-9-11-30-12-10-27/h2-4,13,15-16,29H,5-12,14H2,1H3
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n/an/a 2.75E+3n/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO). C/Melchor Fern£ndez Almagro 3

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110alpha/p85alpha


Bioorg Med Chem Lett 22: 1874-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.074
BindingDB Entry DOI: 10.7270/Q29Z95DX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM50365508
PNG
(CHEMBL1957499)
Show SMILES CS(=O)(=O)N1CCN(Cc2cn3c(C#N)c(nc(N4CCOCC4)c3n2)-c2cccc3[nH]ncc23)CC1
Show InChI InChI=1S/C24H27N9O3S/c1-37(34,35)32-7-5-30(6-8-32)15-17-16-33-21(13-25)22(18-3-2-4-20-19(18)14-26-29-20)28-23(24(33)27-17)31-9-11-36-12-10-31/h2-4,14,16H,5-12,15H2,1H3,(H,26,29)
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Spanish National Cancer Research Centre (CNIO). C/Melchor Fern£ndez Almagro 3

Curated by ChEMBL


Assay Description
Inhibition of mTOR


Bioorg Med Chem Lett 22: 1874-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.074
BindingDB Entry DOI: 10.7270/Q29Z95DX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM50365511
PNG
(CHEMBL1957502)
Show SMILES CNC(=O)c1cn2cc(nc(N3CCOCC3)c2n1)-c1cccc2[nH]ncc12
Show InChI InChI=1S/C19H19N7O2/c1-20-19(27)16-11-26-10-15(12-3-2-4-14-13(12)9-21-24-14)22-17(18(26)23-16)25-5-7-28-8-6-25/h2-4,9-11H,5-8H2,1H3,(H,20,27)(H,21,24)
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Spanish National Cancer Research Centre (CNIO). C/Melchor Fern£ndez Almagro 3

Curated by ChEMBL


Assay Description
Inhibition of mTOR


Bioorg Med Chem Lett 22: 1874-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.074
BindingDB Entry DOI: 10.7270/Q29Z95DX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM50365507
PNG
(CHEMBL1957498)
Show SMILES CS(=O)(=O)N1CCN(Cc2nc3c(nc(cn3c2Br)-c2cccc3[nH]ncc23)N2CCOCC2)CC1
Show InChI InChI=1S/C23H27BrN8O3S/c1-36(33,34)31-7-5-29(6-8-31)14-20-21(24)32-15-19(16-3-2-4-18-17(16)13-25-28-18)26-22(23(32)27-20)30-9-11-35-12-10-30/h2-4,13,15H,5-12,14H2,1H3,(H,25,28)
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Spanish National Cancer Research Centre (CNIO). C/Melchor Fern£ndez Almagro 3

Curated by ChEMBL


Assay Description
Inhibition of mTOR


Bioorg Med Chem Lett 22: 1874-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.074
BindingDB Entry DOI: 10.7270/Q29Z95DX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM50365506
PNG
(CHEMBL1957497)
Show SMILES CS(=O)(=O)N1CCN(Cc2cn3cc(nc(N4CCOCC4)c3n2)-c2cccc3[nH]ncc23)CC1
Show InChI InChI=1S/C23H28N8O3S/c1-35(32,33)31-7-5-28(6-8-31)14-17-15-30-16-21(18-3-2-4-20-19(18)13-24-27-20)26-23(22(30)25-17)29-9-11-34-12-10-29/h2-4,13,15-16H,5-12,14H2,1H3,(H,24,27)
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Spanish National Cancer Research Centre (CNIO). C/Melchor Fern£ndez Almagro 3

Curated by ChEMBL


Assay Description
Inhibition of mTOR


Bioorg Med Chem Lett 22: 1874-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.074
BindingDB Entry DOI: 10.7270/Q29Z95DX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM50365514
PNG
(CHEMBL1957505)
Show SMILES CN(C)CCCNC(=O)c1cn2cc(nc(N3CCOCC3)c2n1)-c1cccc2[nH]ncc12
Show InChI InChI=1S/C23H28N8O2/c1-29(2)8-4-7-24-23(32)20-15-31-14-19(16-5-3-6-18-17(16)13-25-28-18)26-21(22(31)27-20)30-9-11-33-12-10-30/h3,5-6,13-15H,4,7-12H2,1-2H3,(H,24,32)(H,25,28)
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Spanish National Cancer Research Centre (CNIO). C/Melchor Fern£ndez Almagro 3

Curated by ChEMBL


Assay Description
Inhibition of mTOR


Bioorg Med Chem Lett 22: 1874-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.074
BindingDB Entry DOI: 10.7270/Q29Z95DX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM50365517
PNG
(CHEMBL1957508)
Show SMILES COCCCNC(=O)c1cn2cc(nc(N3CCOCC3)c2n1)-c1cccc2[nH]ncc12
Show InChI InChI=1S/C22H25N7O3/c1-31-9-3-6-23-22(30)19-14-29-13-18(15-4-2-5-17-16(15)12-24-27-17)25-20(21(29)26-19)28-7-10-32-11-8-28/h2,4-5,12-14H,3,6-11H2,1H3,(H,23,30)(H,24,27)
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Spanish National Cancer Research Centre (CNIO). C/Melchor Fern£ndez Almagro 3

Curated by ChEMBL


Assay Description
Inhibition of mTOR


Bioorg Med Chem Lett 22: 1874-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.074
BindingDB Entry DOI: 10.7270/Q29Z95DX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM50365509
PNG
(CHEMBL1957500)
Show SMILES CS(=O)(=O)N1CCN(Cc2cn3c(Cl)c(nc(N4CCOCC4)c3n2)-c2cccc3[nH]ncc23)CC1
Show InChI InChI=1S/C23H27ClN8O3S/c1-36(33,34)31-7-5-29(6-8-31)14-16-15-32-21(24)20(17-3-2-4-19-18(17)13-25-28-19)27-22(23(32)26-16)30-9-11-35-12-10-30/h2-4,13,15H,5-12,14H2,1H3,(H,25,28)
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Spanish National Cancer Research Centre (CNIO). C/Melchor Fern£ndez Almagro 3

Curated by ChEMBL


Assay Description
Inhibition of mTOR


Bioorg Med Chem Lett 22: 1874-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.074
BindingDB Entry DOI: 10.7270/Q29Z95DX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM50365513
PNG
(CHEMBL1957504)
Show SMILES O=C(NCCN1CCOCC1)c1cn2cc(nc(N3CCOCC3)c2n1)-c1cccc2[nH]ncc12
Show InChI InChI=1S/C24H28N8O3/c33-24(25-4-5-30-6-10-34-11-7-30)21-16-32-15-20(17-2-1-3-19-18(17)14-26-29-19)27-22(23(32)28-21)31-8-12-35-13-9-31/h1-3,14-16H,4-13H2,(H,25,33)(H,26,29)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO). C/Melchor Fern£ndez Almagro 3

Curated by ChEMBL


Assay Description
Inhibition of mTOR


Bioorg Med Chem Lett 22: 1874-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.074
BindingDB Entry DOI: 10.7270/Q29Z95DX
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM25028
PNG
(4-[2-(1H-indazol-4-yl)-6-[(4-methanesulfonylpipera...)
Show SMILES CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1
Show InChI InChI=1S/C23H27N7O3S2/c1-35(31,32)30-7-5-28(6-8-30)15-16-13-20-21(34-16)23(29-9-11-33-12-10-29)26-22(25-20)17-3-2-4-19-18(17)14-24-27-19/h2-4,13-14H,5-12,15H2,1H3,(H,24,27)
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n/an/a 6.40E+4n/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO). C/Melchor Fern£ndez Almagro 3

Curated by ChEMBL


Assay Description
Displacement of [3H]-astemizole from human ERG expressed in CHO-K1 cells membrane


Bioorg Med Chem Lett 22: 1874-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.074
BindingDB Entry DOI: 10.7270/Q29Z95DX
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50365506
PNG
(CHEMBL1957497)
Show SMILES CS(=O)(=O)N1CCN(Cc2cn3cc(nc(N4CCOCC4)c3n2)-c2cccc3[nH]ncc23)CC1
Show InChI InChI=1S/C23H28N8O3S/c1-35(32,33)31-7-5-28(6-8-31)14-17-15-30-16-21(18-3-2-4-20-19(18)13-24-27-20)26-23(22(30)25-17)29-9-11-34-12-10-29/h2-4,13,15-16H,5-12,14H2,1H3,(H,24,27)
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n/an/a 1.00E+5n/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO). C/Melchor Fern£ndez Almagro 3

Curated by ChEMBL


Assay Description
Displacement of [3H]-astemizole from human ERG expressed in CHO-K1 cells membrane


Bioorg Med Chem Lett 22: 1874-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.074
BindingDB Entry DOI: 10.7270/Q29Z95DX
More data for this
Ligand-Target Pair
p110α/p85α


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50365511
PNG
(CHEMBL1957502)
Show SMILES CNC(=O)c1cn2cc(nc(N3CCOCC3)c2n1)-c1cccc2[nH]ncc12
Show InChI InChI=1S/C19H19N7O2/c1-20-19(27)16-11-26-10-15(12-3-2-4-14-13(12)9-21-24-14)22-17(18(26)23-16)25-5-7-28-8-6-25/h2-4,9-11H,5-8H2,1H3,(H,20,27)(H,21,24)
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n/an/an/an/a 600n/an/an/an/a



Spanish National Cancer Research Centre (CNIO). C/Melchor Fern£ndez Almagro 3

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110alpha/p85alpha-mediated AKT1 phosphorylation at Ser473 in human U2OS cells


Bioorg Med Chem Lett 22: 1874-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.074
BindingDB Entry DOI: 10.7270/Q29Z95DX
More data for this
Ligand-Target Pair
p110α/p85α


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50365514
PNG
(CHEMBL1957505)
Show SMILES CN(C)CCCNC(=O)c1cn2cc(nc(N3CCOCC3)c2n1)-c1cccc2[nH]ncc12
Show InChI InChI=1S/C23H28N8O2/c1-29(2)8-4-7-24-23(32)20-15-31-14-19(16-5-3-6-18-17(16)13-25-28-18)26-21(22(31)27-20)30-9-11-33-12-10-30/h3,5-6,13-15H,4,7-12H2,1-2H3,(H,24,32)(H,25,28)
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n/an/an/an/a 429n/an/an/an/a



Spanish National Cancer Research Centre (CNIO). C/Melchor Fern£ndez Almagro 3

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110alpha/p85alpha-mediated AKT1 phosphorylation at Ser473 in human U2OS cells


Bioorg Med Chem Lett 22: 1874-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.074
BindingDB Entry DOI: 10.7270/Q29Z95DX
More data for this
Ligand-Target Pair
p110α/p85α


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50365510
PNG
(CHEMBL1957501)
Show SMILES NC(=O)c1cn2cc(nc(N3CCOCC3)c2n1)-c1cccc2[nH]ncc12
Show InChI InChI=1S/C18H17N7O2/c19-16(26)15-10-25-9-14(11-2-1-3-13-12(11)8-20-23-13)21-17(18(25)22-15)24-4-6-27-7-5-24/h1-3,8-10H,4-7H2,(H2,19,26)(H,20,23)
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n/an/an/an/a 138n/an/an/an/a



Spanish National Cancer Research Centre (CNIO). C/Melchor Fern£ndez Almagro 3

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110alpha/p85alpha-mediated AKT1 phosphorylation at Ser473 in human U2OS cells


Bioorg Med Chem Lett 22: 1874-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.074
BindingDB Entry DOI: 10.7270/Q29Z95DX
More data for this
Ligand-Target Pair
p110α/p85α


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50365516
PNG
(CHEMBL1957507)
Show SMILES COCCNC(=O)c1cn2cc(nc(N3CCOCC3)c2n1)-c1cccc2[nH]ncc12
Show InChI InChI=1S/C21H23N7O3/c1-30-8-5-22-21(29)18-13-28-12-17(14-3-2-4-16-15(14)11-23-26-16)24-19(20(28)25-18)27-6-9-31-10-7-27/h2-4,11-13H,5-10H2,1H3,(H,22,29)(H,23,26)
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n/an/an/an/a 200n/an/an/an/a



Spanish National Cancer Research Centre (CNIO). C/Melchor Fern£ndez Almagro 3

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110alpha/p85alpha-mediated AKT1 phosphorylation at Ser473 in human U2OS cells


Bioorg Med Chem Lett 22: 1874-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.074
BindingDB Entry DOI: 10.7270/Q29Z95DX
More data for this
Ligand-Target Pair
p110α/p85α


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50365509
PNG
(CHEMBL1957500)
Show SMILES CS(=O)(=O)N1CCN(Cc2cn3c(Cl)c(nc(N4CCOCC4)c3n2)-c2cccc3[nH]ncc23)CC1
Show InChI InChI=1S/C23H27ClN8O3S/c1-36(33,34)31-7-5-29(6-8-31)14-16-15-32-21(24)20(17-3-2-4-19-18(17)13-25-28-19)27-22(23(32)26-16)30-9-11-35-12-10-30/h2-4,13,15H,5-12,14H2,1H3,(H,25,28)
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n/an/an/an/a 495n/an/an/an/a



Spanish National Cancer Research Centre (CNIO). C/Melchor Fern£ndez Almagro 3

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110alpha/p85alpha-mediated AKT1 phosphorylation at Ser473 in human U2OS cells


Bioorg Med Chem Lett 22: 1874-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.074
BindingDB Entry DOI: 10.7270/Q29Z95DX
More data for this
Ligand-Target Pair
p110α/p85α


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50365508
PNG
(CHEMBL1957499)
Show SMILES CS(=O)(=O)N1CCN(Cc2cn3c(C#N)c(nc(N4CCOCC4)c3n2)-c2cccc3[nH]ncc23)CC1
Show InChI InChI=1S/C24H27N9O3S/c1-37(34,35)32-7-5-30(6-8-32)15-17-16-33-21(13-25)22(18-3-2-4-20-19(18)14-26-29-20)28-23(24(33)27-17)31-9-11-36-12-10-31/h2-4,14,16H,5-12,15H2,1H3,(H,26,29)
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n/an/an/an/a 203n/an/an/an/a



Spanish National Cancer Research Centre (CNIO). C/Melchor Fern£ndez Almagro 3

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110alpha/p85alpha-mediated AKT1 phosphorylation at Ser473 in human U2OS cells


Bioorg Med Chem Lett 22: 1874-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.074
BindingDB Entry DOI: 10.7270/Q29Z95DX
More data for this
Ligand-Target Pair
p110α/p85α


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50365515
PNG
(CHEMBL1957506)
Show SMILES CN(C)CCNC(=O)c1cn2cc(nc(N3CCOCC3)c2n1)-c1cccc2[nH]ncc12
Show InChI InChI=1S/C22H26N8O2/c1-28(2)7-6-23-22(31)19-14-30-13-18(15-4-3-5-17-16(15)12-24-27-17)25-20(21(30)26-19)29-8-10-32-11-9-29/h3-5,12-14H,6-11H2,1-2H3,(H,23,31)(H,24,27)
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n/an/an/an/a 976n/an/an/an/a



Spanish National Cancer Research Centre (CNIO). C/Melchor Fern£ndez Almagro 3

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110alpha/p85alpha-mediated AKT1 phosphorylation at Ser473 in human U2OS cells


Bioorg Med Chem Lett 22: 1874-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.074
BindingDB Entry DOI: 10.7270/Q29Z95DX
More data for this
Ligand-Target Pair
p110α/p85α


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50365507
PNG
(CHEMBL1957498)
Show SMILES CS(=O)(=O)N1CCN(Cc2nc3c(nc(cn3c2Br)-c2cccc3[nH]ncc23)N2CCOCC2)CC1
Show InChI InChI=1S/C23H27BrN8O3S/c1-36(33,34)31-7-5-29(6-8-31)14-20-21(24)32-15-19(16-3-2-4-18-17(16)13-25-28-18)26-22(23(32)27-20)30-9-11-35-12-10-30/h2-4,13,15H,5-12,14H2,1H3,(H,25,28)
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n/an/an/an/a 208n/an/an/an/a



Spanish National Cancer Research Centre (CNIO). C/Melchor Fern£ndez Almagro 3

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110alpha/p85alpha-mediated AKT1 phosphorylation at Ser473 in human U2OS cells


Bioorg Med Chem Lett 22: 1874-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.074
BindingDB Entry DOI: 10.7270/Q29Z95DX
More data for this
Ligand-Target Pair
p110α/p85α


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50365512
PNG
(CHEMBL1957503)
Show SMILES CCNC(=O)c1cn2cc(nc(N3CCOCC3)c2n1)-c1cccc2[nH]ncc12
Show InChI InChI=1S/C20H21N7O2/c1-2-21-20(28)17-12-27-11-16(13-4-3-5-15-14(13)10-22-25-15)23-18(19(27)24-17)26-6-8-29-9-7-26/h3-5,10-12H,2,6-9H2,1H3,(H,21,28)(H,22,25)
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n/an/an/an/a 713n/an/an/an/a



Spanish National Cancer Research Centre (CNIO). C/Melchor Fern£ndez Almagro 3

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110alpha/p85alpha-mediated AKT1 phosphorylation at Ser473 in human U2OS cells


Bioorg Med Chem Lett 22: 1874-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.074
BindingDB Entry DOI: 10.7270/Q29Z95DX
More data for this
Ligand-Target Pair
p110α/p85α


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50365517
PNG
(CHEMBL1957508)
Show SMILES COCCCNC(=O)c1cn2cc(nc(N3CCOCC3)c2n1)-c1cccc2[nH]ncc12
Show InChI InChI=1S/C22H25N7O3/c1-31-9-3-6-23-22(30)19-14-29-13-18(15-4-2-5-17-16(15)12-24-27-17)25-20(21(29)26-19)28-7-10-32-11-8-28/h2,4-5,12-14H,3,6-11H2,1H3,(H,23,30)(H,24,27)
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n/an/an/an/a 114n/an/an/an/a



Spanish National Cancer Research Centre (CNIO). C/Melchor Fern£ndez Almagro 3

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110alpha/p85alpha-mediated AKT1 phosphorylation at Ser473 in human U2OS cells


Bioorg Med Chem Lett 22: 1874-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.074
BindingDB Entry DOI: 10.7270/Q29Z95DX
More data for this
Ligand-Target Pair
p110α/p85α


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50365513
PNG
(CHEMBL1957504)
Show SMILES O=C(NCCN1CCOCC1)c1cn2cc(nc(N3CCOCC3)c2n1)-c1cccc2[nH]ncc12
Show InChI InChI=1S/C24H28N8O3/c33-24(25-4-5-30-6-10-34-11-7-30)21-16-32-15-20(17-2-1-3-19-18(17)14-26-29-19)27-22(23(32)28-21)31-8-12-35-13-9-31/h1-3,14-16H,4-13H2,(H,25,33)(H,26,29)
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n/an/an/an/a 452n/an/an/an/a



Spanish National Cancer Research Centre (CNIO). C/Melchor Fern£ndez Almagro 3

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110alpha/p85alpha-mediated AKT1 phosphorylation at Ser473 in human U2OS cells


Bioorg Med Chem Lett 22: 1874-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.074
BindingDB Entry DOI: 10.7270/Q29Z95DX
More data for this
Ligand-Target Pair
p110α/p85α


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50365506
PNG
(CHEMBL1957497)
Show SMILES CS(=O)(=O)N1CCN(Cc2cn3cc(nc(N4CCOCC4)c3n2)-c2cccc3[nH]ncc23)CC1
Show InChI InChI=1S/C23H28N8O3S/c1-35(32,33)31-7-5-28(6-8-31)14-17-15-30-16-21(18-3-2-4-20-19(18)13-24-27-20)26-23(22(30)25-17)29-9-11-34-12-10-29/h2-4,13,15-16H,5-12,14H2,1H3,(H,24,27)
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n/an/an/an/a 93n/an/an/an/a



Spanish National Cancer Research Centre (CNIO). C/Melchor Fern£ndez Almagro 3

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110alpha/p85alpha-mediated AKT1 phosphorylation at Ser473 in human U2OS cells


Bioorg Med Chem Lett 22: 1874-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.074
BindingDB Entry DOI: 10.7270/Q29Z95DX
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%