Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform' and Ligand = 'BDBM50365882'   

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 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50365882 (CHEMBL1957870) Show SMILES C[C@@H]1CN(CCO1)c1cc(=O)n2ccn(Cc3cccc(c3C)C(F)(F)F)c2n1 |r| Show InChI InChI=1S/C20H21F3N4O2/c1-13-11-25(8-9-29-13)17-10-18(28)27-7-6-26(19(27)24-17)12-15-4-3-5-16(14(15)2)20(21,22)23/h3-7,10,13H,8-9,11-12H2,1-2H3/t13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta by time-resolved FRET displacement assay				Bioorg Med Chem Lett 22: 2230-4 (2012) Article DOI: 10.1016/j.bmcl.2012.01.092 BindingDB Entry DOI: 10.7270/Q2GH9JF0
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50365882 (CHEMBL1957870) Show SMILES C[C@@H]1CN(CCO1)c1cc(=O)n2ccn(Cc3cccc(c3C)C(F)(F)F)c2n1 |r| Show InChI InChI=1S/C20H21F3N4O2/c1-13-11-25(8-9-29-13)17-10-18(28)27-7-6-26(19(27)24-17)12-15-4-3-5-16(14(15)2)20(21,22)23/h3-7,10,13H,8-9,11-12H2,1-2H3/t13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta-mediated AKT SER473 phosphorylation in human MDA-MB-468 cells after 30 mins				Bioorg Med Chem Lett 22: 2230-4 (2012) Article DOI: 10.1016/j.bmcl.2012.01.092 BindingDB Entry DOI: 10.7270/Q2GH9JF0
					More data for this Ligand-Target Pair