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 = 'BDBM50240973'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50240973 (CHEMBL4102855) Show SMILES Nc1ncc(-c2nc(nc(n2)N2CCOCC2)N2CCOCC2)c(n1)C(F)(F)F Show InChI InChI=1S/C16H19F3N8O2/c17-16(18,19)11-10(9-21-13(20)22-11)12-23-14(26-1-5-28-6-2-26)25-15(24-12)27-3-7-29-8-4-27/h9H,1-8H2,(H2,20,21,22)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged PI3K p110alpha/p85alpha expressed in baculovirus expression system after 1 hr using AlexaFluor647-labeled ...				J Med Chem 60: 7524-7538 (2017) Article DOI: 10.1021/acs.jmedchem.7b00930 BindingDB Entry DOI: 10.7270/Q2WM1GKP
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