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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 = 'BDBM50118371'   
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))
BDBM50118371
PNG
(CHEMBL3612502)
Show SMILES COc1ccc(cc1S(=O)(=O)N(C)\N=C\c1cnn2ccc(Cl)nc12)[N+]([O-])=O
Show InChI InChI=1S/C15H13ClN6O5S/c1-20(17-8-10-9-18-21-6-5-14(16)19-15(10)21)28(25,26)13-7-11(22(23)24)3-4-12(13)27-2/h3-9H,1-2H3/b17-8+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 81n/an/an/an/an/an/a



The University of Melbourne

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) by radiometric assay


Bioorg Med Chem 23: 6280-96 (2015)


Article DOI: 10.1016/j.bmc.2015.08.035
BindingDB Entry DOI: 10.7270/Q2KK9DM6
More data for this
Ligand-Target Pair