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 = 'BDBM50429894'   

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))	BDBM50429894 (CHEMBL2333369) Show SMILES O=C(N1CCOc2ccc(cc2C1)-c1cnc2ccccc2c1)c1ccccc1 Show InChI InChI=1S/C25H20N2O2/c28-25(18-6-2-1-3-7-18)27-12-13-29-24-11-10-19(14-22(24)17-27)21-15-20-8-4-5-9-23(20)26-16-21/h1-11,14-16H,12-13,17H2	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	3.13E+3	n/a	n/a	n/a	n/a	n/a	n/a
Exelixis Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha (unknown origin) using PIP2 as substrate after 2 hrs by luminescence assay				J Med Chem 56: 2218-34 (2013) Article DOI: 10.1021/jm3007933 BindingDB Entry DOI: 10.7270/Q2ZC847X
					More data for this Ligand-Target Pair