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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 = 'BDBM50460056'   
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))
BDBM50460056
PNG
(CHEMBL4228422)
Show SMILES COc1ncc(cc1NS(=O)(=O)C1CC1)-c1cc2c(C)nc(N)nc2s1
Show InChI InChI=1S/C16H17N5O3S2/c1-8-11-6-13(25-15(11)20-16(17)19-8)9-5-12(14(24-2)18-7-9)21-26(22,23)10-3-4-10/h5-7,10,21H,3-4H2,1-2H3,(H2,17,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.60n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-tagged PI3Kalpha expressed in baculovirus expression system using PIP2 as substrate measured after 1 h...


Bioorg Med Chem 26: 637-646 (2018)


Article DOI: 10.1016/j.bmc.2017.12.025
BindingDB Entry DOI: 10.7270/Q2JD50FF
More data for this
Ligand-Target Pair