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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform' and Ligand = 'BDBM207035'   
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 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM207035
PNG
(US9260439, 12)
Show SMILES CC(=O)N1CC[C@@H](C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 |r|
Show InChI InChI=1S/C20H26N8O2/c1-13(29)27-4-2-15(12-27)28-5-3-16-17(14-10-22-19(21)23-11-14)24-20(25-18(16)28)26-6-8-30-9-7-26/h10-11,15H,2-9,12H2,1H3,(H2,21,22,23)/t15-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.10n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full-length PI3K p110alpha/p85alpha (322 to 600) expressed in baculovirus infected Sf21 cells using phosphatidylinosi...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01652
BindingDB Entry DOI: 10.7270/Q2TH8RC9
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM207035
PNG
(US9260439, 12)
Show SMILES CC(=O)N1CC[C@@H](C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 |r|
Show InChI InChI=1S/C20H26N8O2/c1-13(29)27-4-2-15(12-27)28-5-3-16-17(14-10-22-19(21)23-11-14)24-20(25-18(16)28)26-6-8-30-9-7-26/h10-11,15H,2-9,12H2,1H3,(H2,21,22,23)/t15-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
1.13n/an/an/an/an/an/an/an/a



PFIZER INC.

US Patent


Assay Description
PI3KA_FL: Genes encoding for full length p110alpha and p85alpha subunits of PI3Kalpha complex were subcloned from existing constructs into pFASTBAC D...


US Patent US9260439 (2016)


BindingDB Entry DOI: 10.7270/Q2VH5MPV
More data for this
Ligand-Target Pair