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 = 'BDBM50451235'   

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))	BDBM50451235 (CHEMBL4218280) Show SMILES COc1cc(N)cc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCN(CC1)S(C)(=O)=O)N1CCOCC1 Show InChI InChI=1S/C21H27F2N9O4S/c1-35-15-12-13(24)11-14-16(15)25-18(17(22)23)32(14)21-27-19(26-20(28-21)30-7-9-36-10-8-30)29-3-5-31(6-4-29)37(2,33)34/h11-12,17H,3-10,24H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	22	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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