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 = 'BDBM50209312'   

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))	BDBM50209312 (CHEMBL3885000) Show SMILES CN(C)CCN(C)c1ccc(cc1S(=O)(=O)N\N=C(/C)c1cnn2ccc(cc12)C#N)[N+]([O-])=O Show InChI InChI=1S/C21H24N8O4S/c1-15(18-14-23-28-8-7-16(13-22)11-20(18)28)24-25-34(32,33)21-12-17(29(30)31)5-6-19(21)27(4)10-9-26(2)3/h5-8,11-12,14,25H,9-10H2,1-4H3/b24-15+	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	900	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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