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 = 'BDBM50230653'   

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))	BDBM50230653 (CHEMBL4069347) Show SMILES COc1ccc(CNc2cnc3ccc(cc3c2OC)-c2cnc(OC)c(NS(=O)(=O)c3ccc(F)cc3F)c2)cc1 Show InChI InChI=1S/C30H26F2N4O5S/c1-39-22-8-4-18(5-9-22)15-33-27-17-34-25-10-6-19(12-23(25)29(27)40-2)20-13-26(30(41-3)35-16-20)36-42(37,38)28-11-7-21(31)14-24(28)32/h4-14,16-17,33,36H,15H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	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
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