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 = 'BDBM50118236'   

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))	BDBM50118236 (CHEMBL3612504) Show SMILES COc1ccc(cc1OC)-c1ccn2ncc(\C=N\N(C)S(=O)(=O)c3cc(ccc3C)[N+]([O-])=O)c2n1 Show InChI InChI=1S/C23H22N6O6S/c1-15-5-7-18(29(30)31)12-22(15)36(32,33)27(2)24-13-17-14-25-28-10-9-19(26-23(17)28)16-6-8-20(34-3)21(11-16)35-4/h5-14H,1-4H3/b24-13+	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	233	n/a	n/a	n/a	n/a	n/a	n/a
The University of Melbourne Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha (unknown origin) by radiometric assay				Bioorg Med Chem 23: 6280-96 (2015) Article DOI: 10.1016/j.bmc.2015.08.035 BindingDB Entry DOI: 10.7270/Q2KK9DM6
					More data for this Ligand-Target Pair