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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform' and Ligand = 'BDBM50447094'   
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))
BDBM50447094
PNG
(CHEMBL1972466)
Show SMILES CC(Nc1ccccc1)c1cc(C)cn2c1nc(cc2=O)N1CCOCC1
Show InChI InChI=1S/C21H24N4O2/c1-15-12-18(16(2)22-17-6-4-3-5-7-17)21-23-19(13-20(26)25(21)14-15)24-8-10-27-11-9-24/h3-7,12-14,16,22H,8-11H2,1-2H3
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MCE
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Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



University Hospital Hradec Kralove

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110alpha (unknown origin)


J Med Chem 58: 41-71 (2015)


Article DOI: 10.1021/jm501026z
BindingDB Entry DOI: 10.7270/Q2P84DJ7
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50447094
PNG
(CHEMBL1972466)
Show SMILES CC(Nc1ccccc1)c1cc(C)cn2c1nc(cc2=O)N1CCOCC1
Show InChI InChI=1S/C21H24N4O2/c1-15-12-18(16(2)22-17-6-4-3-5-7-17)21-23-19(13-20(26)25(21)14-15)24-8-10-27-11-9-24/h3-7,12-14,16,22H,8-11H2,1-2H3
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PC sid
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Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged human p110alpha expressed in Sf9 cells co-expressing p85alpha regulatory subunit using phosphatidylinositol subst...


Bioorg Med Chem 23: 3796-808 (2015)


Article DOI: 10.1016/j.bmc.2015.03.073
BindingDB Entry DOI: 10.7270/Q29K4D0R
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50447094
PNG
(CHEMBL1972466)
Show SMILES CC(Nc1ccccc1)c1cc(C)cn2c1nc(cc2=O)N1CCOCC1
Show InChI InChI=1S/C21H24N4O2/c1-15-12-18(16(2)22-17-6-4-3-5-7-17)21-23-19(13-20(26)25(21)14-15)24-8-10-27-11-9-24/h3-7,12-14,16,22H,8-11H2,1-2H3
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CHEMBL
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PC cid
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Article
PubMed
n/an/a 5.80E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PI3Kalpha assessed as PIP3 production by AlphaScreen assay


Bioorg Med Chem Lett 24: 3936-43 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.007
BindingDB Entry DOI: 10.7270/Q2BP04F3
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50447094
PNG
(CHEMBL1972466)
Show SMILES CC(Nc1ccccc1)c1cc(C)cn2c1nc(cc2=O)N1CCOCC1
Show InChI InChI=1S/C21H24N4O2/c1-15-12-18(16(2)22-17-6-4-3-5-7-17)21-23-19(13-20(26)25(21)14-15)24-8-10-27-11-9-24/h3-7,12-14,16,22H,8-11H2,1-2H3
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CHEMBL
MCE
PC cid
PC sid
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Article
PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



Sanofi

Curated by ChEMBL


Assay Description
Inhibition of N-terminal ploy-His-tagged human PI3Kalpha expressed in baculovirus-infected sf9 cells using PI(4,5)P2 as substrate after 15 mins by HT...


J Med Chem 57: 903-20 (2014)


Article DOI: 10.1021/jm401642q
BindingDB Entry DOI: 10.7270/Q2R212VJ
More data for this
Ligand-Target Pair