Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform' and Ligand = 'BDBM50149045'   

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 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50149045 (CHEMBL3770985) Show SMILES Nc1ncc(cn1)-c1nc(N2CCOCC2)c2cccc(Nc3ccccc3)c2n1 Show InChI InChI=1S/C22H21N7O/c23-22-24-13-15(14-25-22)20-27-19-17(21(28-20)29-9-11-30-12-10-29)7-4-8-18(19)26-16-5-2-1-3-6-16/h1-8,13-14,26H,9-12H2,(H2,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of PI3K alpha (unknown origin) using PIP2 as substrate after 1 hr by kinase-Glo luminescent assay				Eur J Med Chem 108: 644-54 (2016) Article DOI: 10.1016/j.ejmech.2015.11.038 BindingDB Entry DOI: 10.7270/Q2C53NQ5
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