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 = 'BDBM50149055'   

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))	BDBM50149055 (CHEMBL3771347) Show SMILES Nc1ncc(cn1)-c1nc(N2CCOCC2)c2ccc(NC(=O)c3cccnc3)cc2n1 Show InChI InChI=1S/C22H20N8O2/c23-22-25-12-15(13-26-22)19-28-18-10-16(27-21(31)14-2-1-5-24-11-14)3-4-17(18)20(29-19)30-6-8-32-9-7-30/h1-5,10-13H,6-9H2,(H,27,31)(H2,23,25,26)	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	33	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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