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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform' and Ligand = 'BDBM50305307'   
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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50305307
PNG
((3-(6-morpholino-9-(piperidin-4-yl)-9H-purin-2-yl)...)
Show SMILES OCc1cccc(c1)-c1nc(N2CCOCC2)c2ncn(C3CCNCC3)c2n1
Show InChI InChI=1S/C21H26N6O2/c28-13-15-2-1-3-16(12-15)19-24-20(26-8-10-29-11-9-26)18-21(25-19)27(14-23-18)17-4-6-22-7-5-17/h1-3,12,14,17,22,28H,4-11,13H2
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Similars

Article
PubMed
n/an/a 57n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha


Bioorg Med Chem Lett 20: 653-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.057
BindingDB Entry DOI: 10.7270/Q2X63N1H
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50305307
PNG
((3-(6-morpholino-9-(piperidin-4-yl)-9H-purin-2-yl)...)
Show SMILES OCc1cccc(c1)-c1nc(N2CCOCC2)c2ncn(C3CCNCC3)c2n1
Show InChI InChI=1S/C21H26N6O2/c28-13-15-2-1-3-16(12-15)19-24-20(26-8-10-29-11-9-26)18-21(25-19)27(14-23-18)17-4-6-22-7-5-17/h1-3,12,14,17,22,28H,4-11,13H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 58n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of GST-GRP1-fused PI3Kalpha by microtiter plate based fluorescence polarization assay


Bioorg Med Chem Lett 20: 636-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.051
BindingDB Entry DOI: 10.7270/Q2V98852
More data for this
Ligand-Target Pair