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 = 'BDBM109327'   

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))	BDBM109327 (US8609666, 47) Show SMILES COCCN(C)c1cc(nc2c(nc(nc12)N1CCOCC1)-c1cccc(CO)c1)C(O)=O Show InChI InChI=1S/C23H27N5O5/c1-27(6-9-32-2)18-13-17(22(30)31)24-21-19(16-5-3-4-15(12-16)14-29)25-23(26-20(18)21)28-7-10-33-11-8-28/h3-5,12-13,29H,6-11,14H2,1-2H3,(H,30,31)	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	8	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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