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 = 'BDBM50055864'   

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))	BDBM50055864 (CHEMBL3326099) Show SMILES CCN(CC)CCCNc1nc(nc2ccsc12)-c1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C26H29ClN6OS/c1-3-33(4-2)16-5-15-28-25-23-22(14-17-35-23)31-24(32-25)18-6-10-20(11-7-18)29-26(34)30-21-12-8-19(27)9-13-21/h6-14,17H,3-5,15-16H2,1-2H3,(H,28,31,32)(H2,29,30,34)	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	130	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha (unknown origin) using poly (Glu, Tyr) 4:1 substrate incubated for 30 mins by HTRF assay				Eur J Med Chem 85: 215-27 (2014) Article DOI: 10.1016/j.ejmech.2014.07.099 BindingDB Entry DOI: 10.7270/Q24T6M19
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