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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 gamma isoform' and Ligand = 'BDBM50054938'   
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 gamma isoform


(Homo sapiens (Human))
BDBM50054938
PNG
(CHEMBL3326777)
Show SMILES COc1ccccc1-n1c(CSc2ncnc3[nH]cnc23)nc2cccc(C)c2c1=O |(53.21,-19.15,;51.88,-18.38,;51.87,-16.84,;53.2,-16.07,;53.2,-14.53,;51.85,-13.76,;50.53,-14.54,;50.54,-16.07,;49.21,-16.84,;49.21,-18.4,;50.54,-19.15,;50.55,-20.71,;51.89,-21.47,;53.21,-20.69,;54.54,-21.45,;54.55,-23,;53.22,-23.77,;52.9,-25.28,;51.37,-25.45,;50.74,-24.04,;51.88,-23.01,;47.87,-19.18,;46.53,-18.41,;45.19,-19.18,;43.85,-18.41,;43.86,-16.86,;45.18,-16.09,;45.18,-14.55,;46.52,-16.86,;47.86,-16.07,;47.85,-14.53,)|
Show InChI InChI=1S/C22H18N6O2S/c1-13-6-5-7-14-18(13)22(29)28(15-8-3-4-9-16(15)30-2)17(27-14)10-31-21-19-20(24-11-23-19)25-12-26-21/h3-9,11-12H,10H2,1-2H3,(H,23,24,25,26)
PDB
MMDB

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Similars

Article
PubMed
n/an/a 1.82E+3n/an/an/an/an/an/a



The University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma (unknown origin) assessed as decrease in fluorescence intensity using phosphorylated substrate


Eur J Med Chem 84: 454-65 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.056
BindingDB Entry DOI: 10.7270/Q2057HM8
More data for this
Ligand-Target Pair