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 = 'BDBM50315458'   

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))	BDBM50315458 (4,6-dihydroxy-2-((5-methoxy-1-(3-morpholinopropyl)...) Show SMILES COc1ccc2n(CCCN3CCOCC3)cc(\C=C3/Oc4cc(O)cc(O)c4C3=O)c2c1 Show InChI InChI=1S/C25H26N2O6/c1-31-18-3-4-20-19(14-18)16(15-27(20)6-2-5-26-7-9-32-10-8-26)11-23-25(30)24-21(29)12-17(28)13-22(24)33-23/h3-4,11-15,28-29H,2,5-10H2,1H3/b23-11-	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	42	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha				Bioorg Med Chem Lett 20: 2586-90 (2010) Article DOI: 10.1016/j.bmcl.2010.02.082 BindingDB Entry DOI: 10.7270/Q2FQ9WRX
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