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 = 'BDBM50202548'   

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))	BDBM50202548 (CHEMBL3986709) Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1)-c1ccc2nccc(-c3ccc(Cn4cncn4)cc3)c2c1 Show InChI InChI=1S/C30H23FN6O3S/c1-40-30-29(36-41(38,39)25-9-7-24(31)8-10-25)15-23(16-34-30)22-6-11-28-27(14-22)26(12-13-33-28)21-4-2-20(3-5-21)17-37-19-32-18-35-37/h2-16,18-19,36H,17H2,1H3	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	0.910	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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