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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform' and Ligand = 'BDBM50315096'   
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))
BDBM50315096
PNG
((R)-1-(4-(4-(3-methylmorpholino)-6-(tetrahydro-2H-...)
Show SMILES C[C@@H]1COCCN1c1nc(nc(n1)-c1ccc(NC(=O)Nc2cccnc2)cc1)C1CCOCC1 |r|
Show InChI InChI=1S/C25H29N7O3/c1-17-16-35-14-11-32(17)24-30-22(29-23(31-24)19-8-12-34-13-9-19)18-4-6-20(7-5-18)27-25(33)28-21-3-2-10-26-15-21/h2-7,10,15,17,19H,8-9,11-14,16H2,1H3,(H2,27,28,33)/t17-/m1/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 593n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha assessed as PIP3 accumulation after 24 mins by HTRF assay


Bioorg Med Chem Lett 20: 2654-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.029
BindingDB Entry DOI: 10.7270/Q2959HQ5
More data for this
Ligand-Target Pair