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 = 'BDBM50055051'   

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))	BDBM50055051 (CHEMBL3319452) Show SMILES COc1ccc(cc1OC)-c1c[nH]c2ncc(cc12)-c1ccc(F)cc1 Show InChI InChI=1S/C21H17FN2O2/c1-25-19-8-5-14(10-20(19)26-2)18-12-24-21-17(18)9-15(11-23-21)13-3-6-16(22)7-4-13/h3-12H,1-2H3,(H,23,24)	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
Korea Advanced Institute of Science and Technology (KAIST) Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha (unknown origin)				J Med Chem 57: 6428-43 (2014) Article DOI: 10.1021/jm500413g BindingDB Entry DOI: 10.7270/Q2QR4ZS4
					More data for this Ligand-Target Pair