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 = 'BDBM50230930'   

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))	BDBM50230930 (CHEMBL4061892) Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2ncc(NC(=O)CN(C)CCO)c(OC)c2c1 Show InChI InChI=1S/C27H27F2N5O6S/c1-34(8-9-35)15-25(36)32-23-14-30-21-6-4-16(10-19(21)26(23)39-2)17-11-22(27(40-3)31-13-17)33-41(37,38)24-7-5-18(28)12-20(24)29/h4-7,10-14,33,35H,8-9,15H2,1-3H3,(H,32,36)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30	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
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