Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform' and Ligand = 'BDBM50243251'   

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 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50243251 (CHEMBL4088056) Show SMILES CS(=O)(=O)Nc1ccc(NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3cccnc3n2)cc1 Show InChI InChI=1S/C25H25N7O4S/c1-37(34,35)31-20-10-8-19(9-11-20)28-25(33)27-18-6-4-17(5-7-18)22-29-23-21(3-2-12-26-23)24(30-22)32-13-15-36-16-14-32/h2-12,31H,13-16H2,1H3,(H2,27,28,33)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
Temple University Curated by ChEMBL					Assay Description Competitive inhibition of human PI3K p110alpha/p85alpha using PIP2 as substrate preincubated for 10 mins followed by ATP addition measured after 30 m...				Bioorg Med Chem Lett 27: 3117-3122 (2017) Article DOI: 10.1016/j.bmcl.2017.05.044 BindingDB Entry DOI: 10.7270/Q2Z89FTM
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