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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 beta isoform' and Ligand = 'BDBM50381164'   
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 beta isoform


(Homo sapiens (Human))
BDBM50381164
PNG
(CHEMBL2018214)
Show SMILES Cc1nn2c(nc(cc2=O)N2CCOCC2)n1Cc1cccc(Cl)c1Cl
Show InChI InChI=1S/C17H17Cl2N5O2/c1-11-21-24-15(25)9-14(22-5-7-26-8-6-22)20-17(24)23(11)10-12-3-2-4-13(18)16(12)19/h2-4,9H,5-8,10H2,1H3
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.30n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta by continuous read time resolved fluorescence resonance energy transfer displacement assay


Bioorg Med Chem Lett 22: 3198-202 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.039
BindingDB Entry DOI: 10.7270/Q2TD9ZBP
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50381164
PNG
(CHEMBL2018214)
Show SMILES Cc1nn2c(nc(cc2=O)N2CCOCC2)n1Cc1cccc(Cl)c1Cl
Show InChI InChI=1S/C17H17Cl2N5O2/c1-11-21-24-15(25)9-14(22-5-7-26-8-6-22)20-17(24)23(11)10-12-3-2-4-13(18)16(12)19/h2-4,9H,5-8,10H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 34n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of PI3K beta-mediated AKT phosphorylation at serine 473 in PTEN deficient human MDA-MB-468 cells after 30 mins


Bioorg Med Chem Lett 22: 3198-202 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.039
BindingDB Entry DOI: 10.7270/Q2TD9ZBP
More data for this
Ligand-Target Pair