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 = 'BDBM50396818'   

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))	BDBM50396818 (CHEMBL2170090 | US8772480, 280) Show SMILES COc1ncc(Nc2ncc(cc2-c2nc(C)nc(N)n2)C(C)(C)N2CCN(CC2)S(C)(=O)=O)cc1F Show InChI InChI=1S/C23H30FN9O3S/c1-14-28-20(31-22(25)29-14)17-10-15(23(2,3)32-6-8-33(9-7-32)37(5,34)35)12-26-19(17)30-16-11-18(24)21(36-4)27-13-16/h10-13H,6-9H2,1-5H3,(H,26,30)(H2,25,28,29,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. US Patent					Assay Description The PI3K AlphaScreen assay (PerkinElmer, Waltham, Mass.) measures the activity of a panel of four phosphoinositide 3-kinases: PI3Kalpha, PI3Kbeta, PI...				US Patent US8772480 (2014) BindingDB Entry DOI: 10.7270/Q2V123FJ
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