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 = 'BDBM50052820'   

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))	BDBM50052820 (CHEMBL3318723) Show SMILES CC(Oc1cccc(c1)C#N)c1cc(cn2c1nc(cc2=O)N1CCOCC1)C(=O)N(C)CCO Show InChI InChI=1S/C25H27N5O5/c1-17(35-20-5-3-4-18(12-20)15-26)21-13-19(25(33)28(2)6-9-31)16-30-23(32)14-22(27-24(21)30)29-7-10-34-11-8-29/h3-5,12-14,16-17,31H,6-11H2,1-2H3	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	8.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant PI3Kalpha assessed as PIP3 production by AlphaScreen assay				Bioorg Med Chem Lett 24: 3936-43 (2014) Article DOI: 10.1016/j.bmcl.2014.07.007 BindingDB Entry DOI: 10.7270/Q2BP04F3
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