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 = 'BDBM50149156'   

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))	BDBM50149156 (CHEMBL3771094) Show SMILES Nc1cc(c(cn1)-c1nc(N2CCOCC2)c2ccc(NC(=O)c3ccncc3)cc2n1)C(F)(F)F Show InChI InChI=1S/C24H20F3N7O2/c25-24(26,27)18-12-20(28)30-13-17(18)21-32-19-11-15(31-23(35)14-3-5-29-6-4-14)1-2-16(19)22(33-21)34-7-9-36-10-8-34/h1-6,11-13H,7-10H2,(H2,28,30)(H,31,35)	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	419	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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