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 = 'BDBM50202551'   

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))	BDBM50202551 (CHEMBL3905930) Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1)-c1ccc2nccc(-c3ccc(CN4CCOCC4)cc3)c2c1 Show InChI InChI=1S/C32H29FN4O4S/c1-40-32-31(36-42(38,39)27-9-7-26(33)8-10-27)19-25(20-35-32)24-6-11-30-29(18-24)28(12-13-34-30)23-4-2-22(3-5-23)21-37-14-16-41-17-15-37/h2-13,18-20,36H,14-17,21H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha (unknown origin) using PIP2 as substrate after 1 hr in presence of ATP by kinase-glo luminescence assay				Eur J Med Chem 122: 684-701 (2016) Article DOI: 10.1016/j.ejmech.2016.06.030 BindingDB Entry DOI: 10.7270/Q2VD71FD
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