BindingDB logo
myBDB logout

PubMed code 22819764

Compile data set for download or QSAR
Found 35 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
PI3-kinase subunit alpha


(Homo sapiens (human))
BDBM50388102
PNG
(CHEMBL2058172)
Show SMILES COCCNC(=O)c1nc2c(nc(cn2c1C)-c1cnc(N)nc1)N1CCOCC1
Show InChI InChI=1S/C19H24N8O3/c1-12-15(18(28)21-3-6-29-2)25-17-16(26-4-7-30-8-5-26)24-14(11-27(12)17)13-9-22-19(20)23-10-13/h9-11H,3-8H2,1-2H3,(H,21,28)(H2,20,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.40n/an/an/an/an/an/an/an/a



Spanish National Cancer Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha by HTRF assay


Bioorg Med Chem Lett 22: 5208-14 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.093
BindingDB Entry DOI: 10.7270/Q24Q7W1Z
More data for this
Ligand-Target Pair
PI3-kinase subunit delta


(Homo sapiens (human))
BDBM50388102
PNG
(CHEMBL2058172)
Show SMILES COCCNC(=O)c1nc2c(nc(cn2c1C)-c1cnc(N)nc1)N1CCOCC1
Show InChI InChI=1S/C19H24N8O3/c1-12-15(18(28)21-3-6-29-2)25-17-16(26-4-7-30-8-5-26)24-14(11-27(12)17)13-9-22-19(20)23-10-13/h9-11H,3-8H2,1-2H3,(H,21,28)(H2,20,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
8n/an/an/an/an/an/an/an/a



Spanish National Cancer Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kdelta by HTRF assay


Bioorg Med Chem Lett 22: 5208-14 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.093
BindingDB Entry DOI: 10.7270/Q24Q7W1Z
More data for this
Ligand-Target Pair
PI3-kinase subunit gamma


(Homo sapiens (human))
BDBM50388102
PNG
(CHEMBL2058172)
Show SMILES COCCNC(=O)c1nc2c(nc(cn2c1C)-c1cnc(N)nc1)N1CCOCC1
Show InChI InChI=1S/C19H24N8O3/c1-12-15(18(28)21-3-6-29-2)25-17-16(26-4-7-30-8-5-26)24-14(11-27(12)17)13-9-22-19(20)23-10-13/h9-11H,3-8H2,1-2H3,(H,21,28)(H2,20,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
62.9n/an/an/an/an/an/an/an/a



Spanish National Cancer Research Centre

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma assessed as accumulation of ADP


Bioorg Med Chem Lett 22: 5208-14 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.093
BindingDB Entry DOI: 10.7270/Q24Q7W1Z
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (human))
BDBM50388102
PNG
(CHEMBL2058172)
Show SMILES COCCNC(=O)c1nc2c(nc(cn2c1C)-c1cnc(N)nc1)N1CCOCC1
Show InChI InChI=1S/C19H24N8O3/c1-12-15(18(28)21-3-6-29-2)25-17-16(26-4-7-30-8-5-26)24-14(11-27(12)17)13-9-22-19(20)23-10-13/h9-11H,3-8H2,1-2H3,(H,21,28)(H2,20,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
94.1n/an/an/an/an/an/an/an/a



Spanish National Cancer Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kbeta by HTRF assay


Bioorg Med Chem Lett 22: 5208-14 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.093
BindingDB Entry DOI: 10.7270/Q24Q7W1Z
More data for this
Ligand-Target Pair
PI3-kinase subunit alpha


(Homo sapiens (human))
BDBM50388111
PNG
(CHEMBL2058163)
Show SMILES NC(=O)c1cn2cc(nc(N3CCOCC3)c2n1)-c1cnc(N)nc1
Show InChI InChI=1S/C15H16N8O2/c16-12(24)11-8-23-7-10(9-5-18-15(17)19-6-9)20-13(14(23)21-11)22-1-3-25-4-2-22/h5-8H,1-4H2,(H2,16,24)(H2,17,18,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.400n/an/an/an/an/an/a



Spanish National Cancer Research Centre

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha assessed as accumulation of ADP


Bioorg Med Chem Lett 22: 5208-14 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.093
BindingDB Entry DOI: 10.7270/Q24Q7W1Z
More data for this
Ligand-Target Pair
PI3-kinase subunit alpha


(Homo sapiens (human))
BDBM50388109
PNG
(CHEMBL2058165)
Show SMILES CN(C)CCCNC(=O)c1cn2cc(nc(N3CCOCC3)c2n1)-c1cnc(N)nc1
Show InChI InChI=1S/C20H27N9O2/c1-27(2)5-3-4-22-19(30)16-13-29-12-15(14-10-23-20(21)24-11-14)25-17(18(29)26-16)28-6-8-31-9-7-28/h10-13H,3-9H2,1-2H3,(H,22,30)(H2,21,23,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.600n/an/an/an/an/an/a



Spanish National Cancer Research Centre

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha assessed as accumulation of ADP


Bioorg Med Chem Lett 22: 5208-14 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.093
BindingDB Entry DOI: 10.7270/Q24Q7W1Z
More data for this
Ligand-Target Pair
PI3-kinase subunit alpha


(Homo sapiens (human))
BDBM50388102
PNG
(CHEMBL2058172)
Show SMILES COCCNC(=O)c1nc2c(nc(cn2c1C)-c1cnc(N)nc1)N1CCOCC1
Show InChI InChI=1S/C19H24N8O3/c1-12-15(18(28)21-3-6-29-2)25-17-16(26-4-7-30-8-5-26)24-14(11-27(12)17)13-9-22-19(20)23-10-13/h9-11H,3-8H2,1-2H3,(H,21,28)(H2,20,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.900n/an/an/an/an/an/a



Spanish National Cancer Research Centre

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha assessed as accumulation of ADP


Bioorg Med Chem Lett 22: 5208-14 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.093
BindingDB Entry DOI: 10.7270/Q24Q7W1Z
More data for this
Ligand-Target Pair
PI3-kinase subunit alpha


(Homo sapiens (human))
BDBM50388111
PNG
(CHEMBL2058163)
Show SMILES NC(=O)c1cn2cc(nc(N3CCOCC3)c2n1)-c1cnc(N)nc1
Show InChI InChI=1S/C15H16N8O2/c16-12(24)11-8-23-7-10(9-5-18-15(17)19-6-9)20-13(14(23)21-11)22-1-3-25-4-2-22/h5-8H,1-4H2,(H2,16,24)(H2,17,18,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.80n/an/an/an/an/an/a



Spanish National Cancer Research Centre

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha-mediated AKT phosphorylation at Ser473 in human U2OS cells by Western blot analysis


Bioorg Med Chem Lett 22: 5208-14 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.093
BindingDB Entry DOI: 10.7270/Q24Q7W1Z
More data for this
Ligand-Target Pair
PI3-kinase subunit alpha


(Homo sapiens (human))
BDBM50388108
PNG
(CHEMBL2058166)
Show SMILES COCCNC(=O)c1cn2cc(nc(N3CCOCC3)c2n1)-c1cnc(N)nc1
Show InChI InChI=1S/C18H22N8O3/c1-28-5-2-20-17(27)14-11-26-10-13(12-8-21-18(19)22-9-12)23-15(16(26)24-14)25-3-6-29-7-4-25/h8-11H,2-7H2,1H3,(H,20,27)(H2,19,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.70n/an/an/an/an/an/a



Spanish National Cancer Research Centre

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha assessed as accumulation of ADP


Bioorg Med Chem Lett 22: 5208-14 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.093
BindingDB Entry DOI: 10.7270/Q24Q7W1Z
More data for this
Ligand-Target Pair
PI3-kinase subunit alpha


(Homo sapiens (human))
BDBM50388107
PNG
(CHEMBL2058167)
Show SMILES COCCCNC(=O)c1cn2cc(nc(N3CCOCC3)c2n1)-c1cnc(N)nc1
Show InChI InChI=1S/C19H24N8O3/c1-29-6-2-3-21-18(28)15-12-27-11-14(13-9-22-19(20)23-10-13)24-16(17(27)25-15)26-4-7-30-8-5-26/h9-12H,2-8H2,1H3,(H,21,28)(H2,20,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.20n/an/an/an/an/an/a



Spanish National Cancer Research Centre

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha assessed as accumulation of ADP


Bioorg Med Chem Lett 22: 5208-14 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.093
BindingDB Entry DOI: 10.7270/Q24Q7W1Z
More data for this
Ligand-Target Pair
PI3-kinase subunit alpha


(Homo sapiens (human))
BDBM50388110
PNG
(CHEMBL2058164)
Show SMILES CN(C)CCNC(=O)c1cn2cc(nc(N3CCOCC3)c2n1)-c1cnc(N)nc1
Show InChI InChI=1S/C19H25N9O2/c1-26(2)4-3-21-18(29)15-12-28-11-14(13-9-22-19(20)23-10-13)24-16(17(28)25-15)27-5-7-30-8-6-27/h9-12H,3-8H2,1-2H3,(H,21,29)(H2,20,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.60n/an/an/an/an/an/a



Spanish National Cancer Research Centre

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha assessed as accumulation of ADP


Bioorg Med Chem Lett 22: 5208-14 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.093
BindingDB Entry DOI: 10.7270/Q24Q7W1Z
More data for this
Ligand-Target Pair
PI3-kinase subunit alpha


(Homo sapiens (human))
BDBM50388109
PNG
(CHEMBL2058165)
Show SMILES CN(C)CCCNC(=O)c1cn2cc(nc(N3CCOCC3)c2n1)-c1cnc(N)nc1
Show InChI InChI=1S/C20H27N9O2/c1-27(2)5-3-4-22-19(30)16-13-29-12-15(14-10-23-20(21)24-11-14)25-17(18(29)26-16)28-6-8-31-9-7-28/h10-13H,3-9H2,1-2H3,(H,22,30)(H2,21,23,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.70n/an/an/an/an/an/a



Spanish National Cancer Research Centre

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha-mediated AKT phosphorylation at Ser473 in human U2OS cells by Western blot analysis


Bioorg Med Chem Lett 22: 5208-14 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.093
BindingDB Entry DOI: 10.7270/Q24Q7W1Z
More data for this
Ligand-Target Pair
PI3-kinase subunit alpha


(Homo sapiens (human))
BDBM50388106
PNG
(CHEMBL2058168)
Show SMILES Nc1ncc(cn1)-c1cn2cc(nc2c(n1)N1CCOCC1)C(=O)N[C@H]1CC[C@H](O)CC1
Show InChI InChI=1S/C21H26N8O3/c22-21-23-9-13(10-24-21)16-11-29-12-17(20(31)25-14-1-3-15(30)4-2-14)27-19(29)18(26-16)28-5-7-32-8-6-28/h9-12,14-15,30H,1-8H2,(H,25,31)(H2,22,23,24)/t14-,15-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Spanish National Cancer Research Centre

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha assessed as accumulation of ADP


Bioorg Med Chem Lett 22: 5208-14 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.093
BindingDB Entry DOI: 10.7270/Q24Q7W1Z
More data for this
Ligand-Target Pair
PI3-kinase subunit alpha


(Homo sapiens (human))
BDBM50388105
PNG
(CHEMBL2058169)
Show SMILES Nc1ncc(cn1)-c1cn2cc(nc2c(n1)N1CCOCC1)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C21H27N9O3/c22-21-24-11-15(12-25-21)16-13-30-14-17(20(31)23-1-2-28-3-7-32-8-4-28)27-19(30)18(26-16)29-5-9-33-10-6-29/h11-14H,1-10H2,(H,23,31)(H2,22,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 10.4n/an/an/an/an/an/a



Spanish National Cancer Research Centre

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha assessed as accumulation of ADP


Bioorg Med Chem Lett 22: 5208-14 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.093
BindingDB Entry DOI: 10.7270/Q24Q7W1Z
More data for this
Ligand-Target Pair
PI3-kinase subunit alpha


(Homo sapiens (human))
BDBM50388103
PNG
(CHEMBL2058171)
Show SMILES COCCNC(=O)c1cn2c(Cl)c(nc(N3CCOCC3)c2n1)-c1cnc(N)nc1
Show InChI InChI=1S/C18H21ClN8O3/c1-29-5-2-21-17(28)12-10-27-14(19)13(11-8-22-18(20)23-9-11)25-15(16(27)24-12)26-3-6-30-7-4-26/h8-10H,2-7H2,1H3,(H,21,28)(H2,20,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 11.2n/an/an/an/an/an/a



Spanish National Cancer Research Centre

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha assessed as accumulation of ADP


Bioorg Med Chem Lett 22: 5208-14 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.093
BindingDB Entry DOI: 10.7270/Q24Q7W1Z
More data for this
Ligand-Target Pair
PI3-kinase subunit alpha


(Homo sapiens (human))
BDBM50388102
PNG
(CHEMBL2058172)
Show SMILES COCCNC(=O)c1nc2c(nc(cn2c1C)-c1cnc(N)nc1)N1CCOCC1
Show InChI InChI=1S/C19H24N8O3/c1-12-15(18(28)21-3-6-29-2)25-17-16(26-4-7-30-8-5-26)24-14(11-27(12)17)13-9-22-19(20)23-10-13/h9-11H,3-8H2,1-2H3,(H,21,28)(H2,20,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Spanish National Cancer Research Centre

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha-mediated AKT phosphorylation at Ser473 in human U2OS cells by Western blot analysis


Bioorg Med Chem Lett 22: 5208-14 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.093
BindingDB Entry DOI: 10.7270/Q24Q7W1Z
More data for this
Ligand-Target Pair
PI3-kinase subunit alpha


(Homo sapiens (human))
BDBM50388104
PNG
(CHEMBL2058170)
Show SMILES Nc1ncc(cn1)-c1cn2cc(nc2c(n1)N1CCOCC1)C(=O)NC1CCOCC1
Show InChI InChI=1S/C20H24N8O3/c21-20-22-9-13(10-23-20)15-11-28-12-16(19(29)24-14-1-5-30-6-2-14)26-18(28)17(25-15)27-3-7-31-8-4-27/h9-12,14H,1-8H2,(H,24,29)(H2,21,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 13.1n/an/an/an/an/an/a



Spanish National Cancer Research Centre

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha assessed as accumulation of ADP


Bioorg Med Chem Lett 22: 5208-14 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.093
BindingDB Entry DOI: 10.7270/Q24Q7W1Z
More data for this
Ligand-Target Pair
PI3-kinase subunit alpha


(Homo sapiens (human))
BDBM50388108
PNG
(CHEMBL2058166)
Show SMILES COCCNC(=O)c1cn2cc(nc(N3CCOCC3)c2n1)-c1cnc(N)nc1
Show InChI InChI=1S/C18H22N8O3/c1-28-5-2-20-17(27)14-11-26-10-13(12-8-21-18(19)22-9-12)23-15(16(26)24-14)25-3-6-29-7-4-25/h8-11H,2-7H2,1H3,(H,20,27)(H2,19,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 14n/an/an/an/an/an/a



Spanish National Cancer Research Centre

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha-mediated AKT phosphorylation at Ser473 in human U2OS cells by Western blot analysis


Bioorg Med Chem Lett 22: 5208-14 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.093
BindingDB Entry DOI: 10.7270/Q24Q7W1Z
More data for this
Ligand-Target Pair
PI3-kinase subunit alpha


(Homo sapiens (human))
BDBM50388107
PNG
(CHEMBL2058167)
Show SMILES COCCCNC(=O)c1cn2cc(nc(N3CCOCC3)c2n1)-c1cnc(N)nc1
Show InChI InChI=1S/C19H24N8O3/c1-29-6-2-3-21-18(28)15-12-27-11-14(13-9-22-19(20)23-10-13)24-16(17(27)25-15)26-4-7-30-8-5-26/h9-12H,2-8H2,1H3,(H,21,28)(H2,20,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 26n/an/an/an/an/an/a



Spanish National Cancer Research Centre

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha-mediated AKT phosphorylation at Ser473 in human U2OS cells by Western blot analysis


Bioorg Med Chem Lett 22: 5208-14 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.093
BindingDB Entry DOI: 10.7270/Q24Q7W1Z
More data for this
Ligand-Target Pair
PI3-kinase subunit alpha


(Homo sapiens (human))
BDBM50388110
PNG
(CHEMBL2058164)
Show SMILES CN(C)CCNC(=O)c1cn2cc(nc(N3CCOCC3)c2n1)-c1cnc(N)nc1
Show InChI InChI=1S/C19H25N9O2/c1-26(2)4-3-21-18(29)15-12-28-11-14(13-9-22-19(20)23-10-13)24-16(17(28)25-15)27-5-7-30-8-6-27/h9-12H,3-8H2,1-2H3,(H,21,29)(H2,20,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 30.3n/an/an/an/an/an/a



Spanish National Cancer Research Centre

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha-mediated AKT phosphorylation at Ser473 in human U2OS cells by Western blot analysis


Bioorg Med Chem Lett 22: 5208-14 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.093
BindingDB Entry DOI: 10.7270/Q24Q7W1Z
More data for this
Ligand-Target Pair
PI3-kinase subunit alpha


(Homo sapiens (human))
BDBM50388104
PNG
(CHEMBL2058170)
Show SMILES Nc1ncc(cn1)-c1cn2cc(nc2c(n1)N1CCOCC1)C(=O)NC1CCOCC1
Show InChI InChI=1S/C20H24N8O3/c21-20-22-9-13(10-23-20)15-11-28-12-16(19(29)24-14-1-5-30-6-2-14)26-18(28)17(25-15)27-3-7-31-8-4-27/h9-12,14H,1-8H2,(H,24,29)(H2,21,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 34n/an/an/an/an/an/a



Spanish National Cancer Research Centre

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha-mediated AKT phosphorylation at Ser473 in human U2OS cells by Western blot analysis


Bioorg Med Chem Lett 22: 5208-14 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.093
BindingDB Entry DOI: 10.7270/Q24Q7W1Z
More data for this
Ligand-Target Pair
PI3-kinase subunit alpha


(Homo sapiens (human))
BDBM50388105
PNG
(CHEMBL2058169)
Show SMILES Nc1ncc(cn1)-c1cn2cc(nc2c(n1)N1CCOCC1)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C21H27N9O3/c22-21-24-11-15(12-25-21)16-13-30-14-17(20(31)23-1-2-28-3-7-32-8-4-28)27-19(30)18(26-16)29-5-9-33-10-6-29/h11-14H,1-10H2,(H,23,31)(H2,22,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 34.3n/an/an/an/an/an/a



Spanish National Cancer Research Centre

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha-mediated AKT phosphorylation at Ser473 in human U2OS cells by Western blot analysis


Bioorg Med Chem Lett 22: 5208-14 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.093
BindingDB Entry DOI: 10.7270/Q24Q7W1Z
More data for this
Ligand-Target Pair
PI3-kinase subunit alpha


(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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 35n/an/an/an/an/an/a



Spanish National Cancer Research Centre

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha assessed as accumulation of ADP


Bioorg Med Chem Lett 22: 5208-14 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.093
BindingDB Entry DOI: 10.7270/Q24Q7W1Z
More data for this
Ligand-Target Pair
PI3-kinase subunit alpha


(Homo sapiens (human))
BDBM50388103
PNG
(CHEMBL2058171)
Show SMILES COCCNC(=O)c1cn2c(Cl)c(nc(N3CCOCC3)c2n1)-c1cnc(N)nc1
Show InChI InChI=1S/C18H21ClN8O3/c1-29-5-2-21-17(28)12-10-27-14(19)13(11-8-22-18(20)23-9-11)25-15(16(27)24-12)26-3-6-30-7-4-26/h8-10H,2-7H2,1H3,(H,21,28)(H2,20,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 35.1n/an/an/an/an/an/a



Spanish National Cancer Research Centre

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha-mediated AKT phosphorylation at Ser473 in human U2OS cells by Western blot analysis


Bioorg Med Chem Lett 22: 5208-14 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.093
BindingDB Entry DOI: 10.7270/Q24Q7W1Z
More data for this
Ligand-Target Pair
PI3-kinase subunit alpha


(Homo sapiens (human))
BDBM50388106
PNG
(CHEMBL2058168)
Show SMILES Nc1ncc(cn1)-c1cn2cc(nc2c(n1)N1CCOCC1)C(=O)N[C@H]1CC[C@H](O)CC1
Show InChI InChI=1S/C21H26N8O3/c22-21-23-9-13(10-24-21)16-11-29-12-17(20(31)25-14-1-3-15(30)4-2-14)27-19(29)18(26-16)28-5-7-32-8-6-28/h9-12,14-15,30H,1-8H2,(H,25,31)(H2,22,23,24)/t14-,15-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 70n/an/an/an/an/an/a



Spanish National Cancer Research Centre

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha-mediated AKT phosphorylation at Ser473 in human U2OS cells by Western blot analysis


Bioorg Med Chem Lett 22: 5208-14 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.093
BindingDB Entry DOI: 10.7270/Q24Q7W1Z
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM50388111
PNG
(CHEMBL2058163)
Show SMILES NC(=O)c1cn2cc(nc(N3CCOCC3)c2n1)-c1cnc(N)nc1
Show InChI InChI=1S/C15H16N8O2/c16-12(24)11-8-23-7-10(9-5-18-15(17)19-6-9)20-13(14(23)21-11)22-1-3-25-4-2-22/h5-8H,1-4H2,(H2,16,24)(H2,17,18,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 237n/an/an/an/an/an/a



Spanish National Cancer Research Centre

Curated by ChEMBL


Assay Description
Inhibition of mTOR


Bioorg Med Chem Lett 22: 5208-14 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.093
BindingDB Entry DOI: 10.7270/Q24Q7W1Z
More data for this
Ligand-Target Pair
PI3-kinase subunit alpha


(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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 429n/an/an/an/an/an/a



Spanish National Cancer Research Centre

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha-mediated AKT phosphorylation at Ser473 in human U2OS cells by Western blot analysis


Bioorg Med Chem Lett 22: 5208-14 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.093
BindingDB Entry DOI: 10.7270/Q24Q7W1Z
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM50388104
PNG
(CHEMBL2058170)
Show SMILES Nc1ncc(cn1)-c1cn2cc(nc2c(n1)N1CCOCC1)C(=O)NC1CCOCC1
Show InChI InChI=1S/C20H24N8O3/c21-20-22-9-13(10-23-20)15-11-28-12-16(19(29)24-14-1-5-30-6-2-14)26-18(28)17(25-15)27-3-7-31-8-4-27/h9-12,14H,1-8H2,(H,24,29)(H2,21,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 751n/an/an/an/an/an/a



Spanish National Cancer Research Centre

Curated by ChEMBL


Assay Description
Inhibition of mTOR


Bioorg Med Chem Lett 22: 5208-14 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.093
BindingDB Entry DOI: 10.7270/Q24Q7W1Z
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM50388106
PNG
(CHEMBL2058168)
Show SMILES Nc1ncc(cn1)-c1cn2cc(nc2c(n1)N1CCOCC1)C(=O)N[C@H]1CC[C@H](O)CC1
Show InChI InChI=1S/C21H26N8O3/c22-21-23-9-13(10-24-21)16-11-29-12-17(20(31)25-14-1-3-15(30)4-2-14)27-19(29)18(26-16)28-5-7-32-8-6-28/h9-12,14-15,30H,1-8H2,(H,25,31)(H2,22,23,24)/t14-,15-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 989n/an/an/an/an/an/a



Spanish National Cancer Research Centre

Curated by ChEMBL


Assay Description
Inhibition of mTOR


Bioorg Med Chem Lett 22: 5208-14 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.093
BindingDB Entry DOI: 10.7270/Q24Q7W1Z
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM50388108
PNG
(CHEMBL2058166)
Show SMILES COCCNC(=O)c1cn2cc(nc(N3CCOCC3)c2n1)-c1cnc(N)nc1
Show InChI InChI=1S/C18H22N8O3/c1-28-5-2-20-17(27)14-11-26-10-13(12-8-21-18(19)22-9-12)23-15(16(26)24-14)25-3-6-29-7-4-25/h8-11H,2-7H2,1H3,(H,20,27)(H2,19,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.29E+3n/an/an/an/an/an/a



Spanish National Cancer Research Centre

Curated by ChEMBL


Assay Description
Inhibition of mTOR


Bioorg Med Chem Lett 22: 5208-14 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.093
BindingDB Entry DOI: 10.7270/Q24Q7W1Z
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM50388107
PNG
(CHEMBL2058167)
Show SMILES COCCCNC(=O)c1cn2cc(nc(N3CCOCC3)c2n1)-c1cnc(N)nc1
Show InChI InChI=1S/C19H24N8O3/c1-29-6-2-3-21-18(28)15-12-27-11-14(13-9-22-19(20)23-10-13)24-16(17(27)25-15)26-4-7-30-8-5-26/h9-12H,2-8H2,1H3,(H,21,28)(H2,20,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+3n/an/an/an/an/an/a



Spanish National Cancer Research Centre

Curated by ChEMBL


Assay Description
Inhibition of mTOR


Bioorg Med Chem Lett 22: 5208-14 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.093
BindingDB Entry DOI: 10.7270/Q24Q7W1Z
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM50388109
PNG
(CHEMBL2058165)
Show SMILES CN(C)CCCNC(=O)c1cn2cc(nc(N3CCOCC3)c2n1)-c1cnc(N)nc1
Show InChI InChI=1S/C20H27N9O2/c1-27(2)5-3-4-22-19(30)16-13-29-12-15(14-10-23-20(21)24-11-14)25-17(18(29)26-16)28-6-8-31-9-7-28/h10-13H,3-9H2,1-2H3,(H,22,30)(H2,21,23,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+3n/an/an/an/an/an/a



Spanish National Cancer Research Centre

Curated by ChEMBL


Assay Description
Inhibition of mTOR


Bioorg Med Chem Lett 22: 5208-14 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.093
BindingDB Entry DOI: 10.7270/Q24Q7W1Z
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM50388110
PNG
(CHEMBL2058164)
Show SMILES CN(C)CCNC(=O)c1cn2cc(nc(N3CCOCC3)c2n1)-c1cnc(N)nc1
Show InChI InChI=1S/C19H25N9O2/c1-26(2)4-3-21-18(29)15-12-28-11-14(13-9-22-19(20)23-10-13)24-16(17(28)25-15)27-5-7-30-8-6-27/h9-12H,3-8H2,1-2H3,(H,21,29)(H2,20,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+3n/an/an/an/an/an/a



Spanish National Cancer Research Centre

Curated by ChEMBL


Assay Description
Inhibition of mTOR


Bioorg Med Chem Lett 22: 5208-14 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.093
BindingDB Entry DOI: 10.7270/Q24Q7W1Z
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM50388105
PNG
(CHEMBL2058169)
Show SMILES Nc1ncc(cn1)-c1cn2cc(nc2c(n1)N1CCOCC1)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C21H27N9O3/c22-21-24-11-15(12-25-21)16-13-30-14-17(20(31)23-1-2-28-3-7-32-8-4-28)27-19(30)18(26-16)29-5-9-33-10-6-29/h11-14H,1-10H2,(H,23,31)(H2,22,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+3n/an/an/an/an/an/a



Spanish National Cancer Research Centre

Curated by ChEMBL


Assay Description
Inhibition of mTOR


Bioorg Med Chem Lett 22: 5208-14 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.093
BindingDB Entry DOI: 10.7270/Q24Q7W1Z
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50388102
PNG
(CHEMBL2058172)
Show SMILES COCCNC(=O)c1nc2c(nc(cn2c1C)-c1cnc(N)nc1)N1CCOCC1
Show InChI InChI=1S/C19H24N8O3/c1-12-15(18(28)21-3-6-29-2)25-17-16(26-4-7-30-8-5-26)24-14(11-27(12)17)13-9-22-19(20)23-10-13/h9-11H,3-8H2,1-2H3,(H,21,28)(H2,20,22,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Spanish National Cancer Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human ERG by Herg fluorescence polarization assay


Bioorg Med Chem Lett 22: 5208-14 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.093
BindingDB Entry DOI: 10.7270/Q24Q7W1Z
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%