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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 = 'BDBM50433549'   
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))
BDBM50433549
PNG
(CHEMBL2381266)
Show SMILES CC(C)n1ncnc1-c1nc-2c(CCOc3cc(ccc-23)C2CCNC2)s1
Show InChI InChI=1S/C20H23N5OS/c1-12(2)25-19(22-11-23-25)20-24-18-15-4-3-13(14-5-7-21-10-14)9-16(15)26-8-6-17(18)27-20/h3-4,9,11-12,14,21H,5-8,10H2,1-2H3
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.5n/an/an/an/an/an/a



Genentech, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-fused human recombinant PI3Kalpha expressed in baculovirus infected SF9 cells after 1 hr by scintillation proximity assay in presen...


Bioorg Med Chem Lett 23: 2606-13 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.102
BindingDB Entry DOI: 10.7270/Q2W95BKF
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50433549
PNG
(CHEMBL2381266)
Show SMILES CC(C)n1ncnc1-c1nc-2c(CCOc3cc(ccc-23)C2CCNC2)s1
Show InChI InChI=1S/C20H23N5OS/c1-12(2)25-19(22-11-23-25)20-24-18-15-4-3-13(14-5-7-21-10-14)9-16(15)26-8-6-17(18)27-20/h3-4,9,11-12,14,21H,5-8,10H2,1-2H3
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 24n/an/an/an/an/an/a



Genentech, Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha in human PC3 cells assessed as inhibition of AKT phosphorylation at Ser473 after 2 hrs by ELISA


Bioorg Med Chem Lett 23: 2606-13 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.102
BindingDB Entry DOI: 10.7270/Q2W95BKF
More data for this
Ligand-Target Pair