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 = 'BDBM92588'   

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))	BDBM92588 (ETP-45875, 16) Show SMILES CSc1cccc(c1)-c1nc(N2CCOCC2)c2cnn(C)c2n1 Show InChI InChI=1S/C17H19N5OS/c1-21-16-14(11-18-21)17(22-6-8-23-9-7-22)20-15(19-16)12-4-3-5-13(10-12)24-2/h3-5,10-11H,6-9H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.53E+3	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Center (CNIO)					Assay Description Kinase assay using PI3K.				J Biol Chem 284: 28392-400 (2009) Article DOI: 10.1074/jbc.M109.038984 BindingDB Entry DOI: 10.7270/Q2N01556
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