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Compile Data Set for Download or QSAR

Found 12 hits of ec50 for UniProtKB: P27986   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
p110α/p85α


(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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PubMed
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
p110α/p85α


(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))
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))
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))
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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PubMed
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))
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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PubMed
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))
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))
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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PubMed
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))
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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PC sid
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Article
PubMed
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))
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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Article
PubMed
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))
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)
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
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Similars

Article
PubMed
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))
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)
PDB

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Article
PubMed
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