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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 = 'BDBM50149154'   
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))
BDBM50149154
PNG
(CHEMBL3771146)
Show SMILES Nc1ncc(cn1)-c1nc(N2CCOCC2)c2ccc(Nc3cccnc3)cc2n1
Show InChI InChI=1S/C21H20N8O/c22-21-24-11-14(12-25-21)19-27-18-10-15(26-16-2-1-5-23-13-16)3-4-17(18)20(28-19)29-6-8-30-9-7-29/h1-5,10-13,26H,6-9H2,(H2,22,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 13n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of PI3K alpha (unknown origin) using PIP2 as substrate after 1 hr by kinase-Glo luminescent assay


Eur J Med Chem 108: 644-54 (2016)


BindingDB Entry DOI: 10.7270/Q2C53NQ5
More data for this
Ligand-Target Pair