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 = 'BDBM50305292'   

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))	BDBM50305292 ((3-(9-(1-(2,4-difluorophenyl)piperidin-4-yl)-6-mor...) Show SMILES OCc1cccc(c1)-c1nc(N2CCOCC2)c2ncn(C3CCN(CC3)c3ccc(F)cc3F)c2n1 Show InChI InChI=1S/C27H28F2N6O2/c28-20-4-5-23(22(29)15-20)33-8-6-21(7-9-33)35-17-30-24-26(34-10-12-37-13-11-34)31-25(32-27(24)35)19-3-1-2-18(14-19)16-36/h1-5,14-15,17,21,36H,6-13,16H2	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	44	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: 653-6 (2010) Article DOI: 10.1016/j.bmcl.2009.11.057 BindingDB Entry DOI: 10.7270/Q2X63N1H
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