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 = 'BDBM50230921'   

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))	BDBM50230921 (CHEMBL4065830) Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(cc1)C(F)(F)F)-c1ccc2ncc(NC(=O)CN3CCOCC3)c(OC)c2c1 Show InChI InChI=1S/C29H28F3N5O6S/c1-41-27-22-13-18(3-8-23(22)33-16-25(27)35-26(38)17-37-9-11-43-12-10-37)19-14-24(28(42-2)34-15-19)36-44(39,40)21-6-4-20(5-7-21)29(30,31)32/h3-8,13-16,36H,9-12,17H2,1-2H3,(H,35,38)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Hangzhou Xixi Hospital Curated by ChEMBL					Assay Description Inhibition of PI3K p110alpha/p85alpha (unknown origin) using PIP2 as substrate after 1 hr by luminescent kinase-Glo assay				Eur J Med Chem 127: 509-520 (2017) Article DOI: 10.1016/j.ejmech.2017.01.016 BindingDB Entry DOI: 10.7270/Q2CZ39DX
					More data for this Ligand-Target Pair