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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 = 'BDBM50333219'   
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))
BDBM50333219
PNG
(6-(6-methoxypyridin-3-yl)benzo[d]thiazol-2-amine |...)
Show SMILES COc1ccc(cn1)-c1ccc2nc(N)sc2c1
Show InChI InChI=1S/C13H11N3OS/c1-17-12-5-3-9(7-15-12)8-2-4-10-11(6-8)18-13(14)16-10/h2-7H,1H3,(H2,14,16)
PDB
MMDB

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KEGG

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 794n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) pre-incubated for 20 mins before phosphatidylinositol 4, 5-bisphosphate substrate addition by kinase-glo plu...


Bioorg Med Chem Lett 25: 3189-93 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.093
BindingDB Entry DOI: 10.7270/Q2KK9DKR
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50333219
PNG
(6-(6-methoxypyridin-3-yl)benzo[d]thiazol-2-amine |...)
Show SMILES COc1ccc(cn1)-c1ccc2nc(N)sc2c1
Show InChI InChI=1S/C13H11N3OS/c1-17-12-5-3-9(7-15-12)8-2-4-10-11(6-8)18-13(14)16-10/h2-7H,1H3,(H2,14,16)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.60E+3n/an/an/an/an/an/a



AstraZeneca R&D M£lndal

Curated by ChEMBL


Assay Description
Inhibition of human p110alpha PI3K fragment by AlphaScreen assay


Bioorg Med Chem Lett 21: 829-35 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.087
BindingDB Entry DOI: 10.7270/Q298878P
More data for this
Ligand-Target Pair