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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 = 'BDBM50149056'   
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))
BDBM50149056
PNG
(CHEMBL3771348)
Show SMILES Nc1ncc(cn1)-c1nc(N2CCOCC2)c2cccc(Nc3cccnc3)c2n1
Show InChI InChI=1S/C21H20N8O/c22-21-24-11-14(12-25-21)19-27-18-16(20(28-19)29-7-9-30-10-8-29)4-1-5-17(18)26-15-3-2-6-23-13-15/h1-6,11-13,26H,7-10H2,(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 142n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PI3K alpha by scintillation proximity radiometric assay


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


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