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 beta isoform' and Ligand = 'BDBM50209572'   

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 beta isoform (Homo sapiens (Human))	BDBM50209572 (CHEMBL3883357) Show SMILES CN(CCN)c1ccc(cc1S(=O)(=O)N(C)\N=C\c1cnn2ccc(cc12)C#N)[N+]([O-])=O Show InChI InChI=1S/C19H20N8O4S/c1-24(8-6-20)17-4-3-16(27(28)29)10-19(17)32(30,31)25(2)22-12-15-13-23-26-7-5-14(11-21)9-18(15)26/h3-5,7,9-10,12-13H,6,8,20H2,1-2H3/b22-12+	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of recombinant human p110beta/N-terminal His-tagged human p85alpha expressed in baculovirus infected sf cells using L-alpha-phosphatidylin...				Bioorg Med Chem Lett 27: 187-190 (2017) Article DOI: 10.1016/j.bmcl.2016.11.078 BindingDB Entry DOI: 10.7270/Q2BG2R0D
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