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 = 'BDBM50537404'   

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))	BDBM50537404 (CHEMBL4561973) Show SMILES COc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCN(CC1)S(=O)(=O)CCN1CCSCC1)N1CCOCC1 Show InChI InChI=1S/C26H35F2N9O4S2/c1-40-20-4-2-3-19-21(20)29-23(22(27)28)37(19)26-31-24(30-25(32-26)35-9-14-41-15-10-35)34-5-7-36(8-6-34)43(38,39)18-13-33-11-16-42-17-12-33/h2-4,22H,5-18H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	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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