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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform' and Ligand = 'BDBM50044277'   
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))
BDBM50044277
PNG
(CHEMBL3356899)
Show SMILES CCn1cnc(CCNC(=O)Nc2nc3ccc(cc3s2)-c2cncc(OC)c2)c1
Show InChI InChI=1S/C21H22N6O2S/c1-3-27-12-16(24-13-27)6-7-23-20(28)26-21-25-18-5-4-14(9-19(18)30-21)15-8-17(29-2)11-22-10-15/h4-5,8-13H,3,6-7H2,1-2H3,(H2,23,25,26,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
113n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3K-alpha (unknown origin) using [33P]ATP as substrate after 15 mins by liquid scintillation counting analysis


J Med Chem 58: 517-21 (2015)


Article DOI: 10.1021/jm500362j
BindingDB Entry DOI: 10.7270/Q2K35W9M
More data for this
Ligand-Target Pair