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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 delta isoform' and Ligand = 'BDBM50168263'   
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 delta isoform


(Homo sapiens (Human))
BDBM50168263
PNG
(CHEMBL3805983)
Show SMILES C[C@H](Nc1ncnc(N)c1C(F)(F)F)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1S/C21H16ClF3N6O/c1-11(29-18-16(21(23,24)25)17(26)27-10-28-18)19-30-14-9-5-8-13(22)15(14)20(32)31(19)12-6-3-2-4-7-12/h2-11H,1H3,(H3,26,27,28,29)/t11-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.80n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition human full length PI3Kdelta catalytic subunit/p85alpha assessed as formation of PIP3 after 30 mins by europium labeled GRP-based TR-FRET a...


J Med Chem 59: 3532-48 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00213
BindingDB Entry DOI: 10.7270/Q22Z17F0
More data for this
Ligand-Target Pair