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 = 'BDBM50314342'   

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))	BDBM50314342 ((Z)-1-(2-((1-methyl-4-(4-(pyrrolidine-1-carbonyl)p...) Show SMILES Cn1cc(\C=C2/Oc3ccc(NC(=O)Nc4cccnc4)cc3C2=O)c2c(ccnc12)N1CCC(CC1)C(=O)N1CCCC1 Show InChI InChI=1S/C33H33N7O4/c1-38-20-22(29-26(8-12-35-31(29)38)39-15-9-21(10-16-39)32(42)40-13-2-3-14-40)17-28-30(41)25-18-23(6-7-27(25)44-28)36-33(43)37-24-5-4-11-34-19-24/h4-8,11-12,17-21H,2-3,9-10,13-16H2,1H3,(H2,36,37,43)/b28-17-	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	909	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: 2259-63 (2010) Article DOI: 10.1016/j.bmcl.2010.02.012 BindingDB Entry DOI: 10.7270/Q2TB1717
					More data for this Ligand-Target Pair