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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 = 'BDBM50426800'   
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))
BDBM50426800
PNG
(CHEMBL2322767)
Show SMILES NC(=O)c1ccc2-c3sc(cc3CCOc2c1)-c1ncnn1CCO
Show InChI InChI=1S/C17H16N4O3S/c18-16(23)11-1-2-12-13(7-11)24-6-3-10-8-14(25-15(10)12)17-19-9-20-21(17)4-5-22/h1-2,7-9,22H,3-6H2,(H2,18,23)
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 15n/an/an/an/an/an/a



Genentech, Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3Kalpha (unknown origin)-mediated 3,4,5-inositoltriphosphate formation after 30 mins by TAMRA-PIP3-based competitive fluo...


Bioorg Med Chem Lett 23: 897-901 (2013)


Article DOI: 10.1016/j.bmcl.2012.10.121
BindingDB Entry DOI: 10.7270/Q21C1Z5X
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50426800
PNG
(CHEMBL2322767)
Show SMILES NC(=O)c1ccc2-c3sc(cc3CCOc2c1)-c1ncnn1CCO
Show InChI InChI=1S/C17H16N4O3S/c18-16(23)11-1-2-12-13(7-11)24-6-3-10-8-14(25-15(10)12)17-19-9-20-21(17)4-5-22/h1-2,7-9,22H,3-6H2,(H2,18,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Genentech, Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha-mediated AKT Ser 473 phosphorylation in human PC3 cells


Bioorg Med Chem Lett 23: 897-901 (2013)


Article DOI: 10.1016/j.bmcl.2012.10.121
BindingDB Entry DOI: 10.7270/Q21C1Z5X
More data for this
Ligand-Target Pair