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 = 'BDBM50316280'   

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))	BDBM50316280 (1-{4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-yl-...) Show SMILES FCCNC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(Cc4ccccc4)CC3)c2n1 Show InChI InChI=1S/C30H35FN8O2/c31-12-13-32-30(40)34-24-8-6-23(7-9-24)27-35-28(38-16-18-41-19-17-38)26-20-33-39(29(26)36-27)25-10-14-37(15-11-25)21-22-4-2-1-3-5-22/h1-9,20,25H,10-19,21H2,(H2,32,34,40)	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	234	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha by DELFIA assay				J Med Chem 52: 8010-24 (2009) Article DOI: 10.1021/jm9013828 BindingDB Entry DOI: 10.7270/Q28W3DGF
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