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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 = 'BDBM50168431'   
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))
BDBM50168431
PNG
(CHEMBL3805913)
Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cc(F)cc(F)c1 |r|
Show InChI InChI=1S/C21H15ClF2N8O/c1-9(28-18-13(8-25)17(26)30-21(27)31-18)19-29-15-4-2-3-14(22)16(15)20(33)32(19)12-6-10(23)5-11(24)7-12/h2-7,9H,1H3,(H5,26,27,28,30,31)/t9-/m0/s1
PDB
MMDB

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PC sid
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Similars

Article
PubMed
n/an/a 0.470n/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