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 = 'BDBM50537376'   

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))	BDBM50537376 (CHEMBL4569104) Show SMILES COc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCN(CC1)S(=O)(=O)c1cccnc1)N1CCOCC1 Show InChI InChI=1S/C25H27F2N9O4S/c1-39-19-6-2-5-18-20(19)29-22(21(26)27)36(18)25-31-23(30-24(32-25)34-12-14-40-15-13-34)33-8-10-35(11-9-33)41(37,38)17-4-3-7-28-16-17/h2-7,16,21H,8-15H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal p110alpha/p85alpha expressed in baculovirus infected Sf9 insect cells using PIP2 as substrate by HTRF assa...				Bioorg Med Chem 27: 1529-1545 (2019) Article DOI: 10.1016/j.bmc.2019.02.050 BindingDB Entry DOI: 10.7270/Q2XW4P9S
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