Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform' and Ligand = 'BDBM50365878'   

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))	BDBM50365878 (CHEMBL1957866) Show SMILES CC1CN(CCO1)c1cc(=O)n2ccn(Cc3cccc(Cl)c3Cl)c2n1 Show InChI InChI=1S/C18H18Cl2N4O2/c1-12-10-22(7-8-26-12)15-9-16(25)24-6-5-23(18(24)21-15)11-13-3-2-4-14(19)17(13)20/h2-6,9,12H,7-8,10-11H2,1H3	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	13	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))	BDBM50365878 (CHEMBL1957866) Show SMILES CC1CN(CCO1)c1cc(=O)n2ccn(Cc3cccc(Cl)c3Cl)c2n1 Show InChI InChI=1S/C18H18Cl2N4O2/c1-12-10-22(7-8-26-12)15-9-16(25)24-6-5-23(18(24)21-15)11-13-3-2-4-14(19)17(13)20/h2-6,9,12H,7-8,10-11H2,1H3	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	13	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))	BDBM50365878 (CHEMBL1957866) Show SMILES CC1CN(CCO1)c1cc(=O)n2ccn(Cc3cccc(Cl)c3Cl)c2n1 Show InChI InChI=1S/C18H18Cl2N4O2/c1-12-10-22(7-8-26-12)15-9-16(25)24-6-5-23(18(24)21-15)11-13-3-2-4-14(19)17(13)20/h2-6,9,12H,7-8,10-11H2,1H3	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	100	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