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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 = 'BDBM50112829'   
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))
BDBM50112829
PNG
(CHEMBL3609516)
Show SMILES CC(C)(C)c1nc-2c(CCc3nc(NC(=O)N4CCC[C@@]4(C)C(N)=O)sc-23)s1 |r|
Show InChI InChI=1S/C19H25N5O2S2/c1-18(2,3)15-22-12-11(27-15)7-6-10-13(12)28-16(21-10)23-17(26)24-9-5-8-19(24,4)14(20)25/h5-9H2,1-4H3,(H2,20,25)(H,21,23,26)/t19-/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 8n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) using phosphatidylinositol as substrate preincubated for 15 mins followed by ATP addition measured after 1 h...


Bioorg Med Chem Lett 25: 3575-81 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.067
BindingDB Entry DOI: 10.7270/Q2DF6SZ5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50112829
PNG
(CHEMBL3609516)
Show SMILES CC(C)(C)c1nc-2c(CCc3nc(NC(=O)N4CCC[C@@]4(C)C(N)=O)sc-23)s1 |r|
Show InChI InChI=1S/C19H25N5O2S2/c1-18(2,3)15-22-12-11(27-15)7-6-10-13(12)28-16(21-10)23-17(26)24-9-5-8-19(24,4)14(20)25/h5-9H2,1-4H3,(H2,20,25)(H,21,23,26)/t19-/m0/s1
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 28n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of N-terminal myristoylated human PI3Kalpha expressed in Rat1 cells assessed as inhibition of Akt phosphorylatuion at Ser473 by ELISA


Bioorg Med Chem Lett 25: 3575-81 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.067
BindingDB Entry DOI: 10.7270/Q2DF6SZ5
More data for this
Ligand-Target Pair