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 = 'BDBM50315048'   

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))	BDBM50315048 (1-(4-(4,6-di(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-...) Show SMILES O=C(Nc1ccc(cc1)N1CCNCC1)Nc1ccc(cc1)-c1nc(nc(n1)N1C2CCC1COC2)N1C2CCC1COC2 Show InChI InChI=1S/C32H39N9O3/c42-32(35-23-5-7-24(8-6-23)39-15-13-33-14-16-39)34-22-3-1-21(2-4-22)29-36-30(40-25-9-10-26(40)18-43-17-25)38-31(37-29)41-27-11-12-28(41)20-44-19-27/h1-8,25-28,33H,9-20H2,(H2,34,35,42)	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	947	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha after 15 to 30 mins by fluorescence polarization assay				Bioorg Med Chem Lett 20: 2648-53 (2010) Article DOI: 10.1016/j.bmcl.2010.02.031 BindingDB Entry DOI: 10.7270/Q2DZ08GK
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