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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 = 'BDBM50575912'   
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))
BDBM50575912
PNG
(CHEMBL4859422)
Show SMILES CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)[C@@H]3C[C@@H](C3)OC)ncnc12)-c1ccc(nc1)C(F)(F)F |r,wU:15.15,17.20,wD:8.7,(6.25,-49.15,;7.76,-48.82,;8.22,-47.36,;7.31,-46.12,;8.21,-44.87,;9.67,-45.34,;11.01,-44.56,;11,-43.02,;12.33,-42.24,;13.73,-42.86,;14.76,-41.71,;13.98,-40.38,;12.47,-40.71,;14.6,-38.97,;13.69,-37.73,;16.13,-38.8,;17.32,-39.76,;18.29,-38.56,;17.09,-37.6,;19.82,-38.39,;20.73,-39.63,;12.34,-45.32,;12.35,-46.85,;11.02,-47.64,;9.68,-46.87,;5.77,-46.13,;5,-44.8,;3.46,-44.81,;2.7,-46.15,;3.49,-47.48,;5.02,-47.47,;1.16,-46.17,;.38,-44.84,;.4,-47.51,;-.39,-46.16,)|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.60n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal His6-tagged recombinant full length human p110delta/untagged recombinant full length human p85alpha expressed in baculovirus...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00237
BindingDB Entry DOI: 10.7270/Q28919NT
More data for this
Ligand-Target Pair