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 = 'BDBM50451218'   

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))	BDBM50451218 (CHEMBL4202608) Show SMILES COc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCC[C@H](C1)NS(C)(=O)=O)N1CCOCC1 |r| Show InChI InChI=1S/C22H28F2N8O4S/c1-35-16-7-3-6-15-17(16)25-19(18(23)24)32(15)22-27-20(30-9-11-36-12-10-30)26-21(28-22)31-8-4-5-14(13-31)29-37(2,33)34/h3,6-7,14,18,29H,4-5,8-13H2,1-2H3/t14-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged human PI3K p110alpha/p85alpha expressed in Sf9 insect cells by HTRF assay				Bioorg Med Chem 25: 5859-5874 (2017) Article DOI: 10.1016/j.bmc.2017.09.025 BindingDB Entry DOI: 10.7270/Q2G73HB6
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