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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform' and Ligand = 'BDBM50230924'   
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))
BDBM50230924
PNG
(CHEMBL4060665)
Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2ncc(NC(=O)CN3CCC(O)CC3)c(OC)c2c1
Show InChI InChI=1S/C29H29F2N5O6S/c1-41-28-21-11-17(3-5-23(21)32-15-25(28)34-27(38)16-36-9-7-20(37)8-10-36)18-12-24(29(42-2)33-14-18)35-43(39,40)26-6-4-19(30)13-22(26)31/h3-6,11-15,20,35,37H,7-10,16H2,1-2H3,(H,34,38)
PDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Hangzhou Xixi Hospital

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110alpha/p85alpha (unknown origin) using PIP2 as substrate after 1 hr by luminescent kinase-Glo assay


Eur J Med Chem 127: 509-520 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.016
BindingDB Entry DOI: 10.7270/Q2CZ39DX
More data for this
Ligand-Target Pair