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 = 'BDBM109336'   

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))	BDBM109336 (US8609666, 56) Show SMILES CS(=O)(=O)c1cc(nc2c(nc(nc12)N1CCOCC1)-c1cc(O)cc(F)c1)C(O)=O Show InChI InChI=1S/C19H17FN4O6S/c1-31(28,29)14-9-13(18(26)27)21-17-15(10-6-11(20)8-12(25)7-10)22-19(23-16(14)17)24-2-4-30-5-3-24/h6-9,25H,2-5H2,1H3,(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Merck Serono SA US Patent					Assay Description The efficacy of compounds of the invention in inhibiting the PI3K induced-lipid phosphorylation may be tested in the following binding assay. The ass...				US Patent US8609666 (2013) BindingDB Entry DOI: 10.7270/Q26M35G5
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