Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform' and Ligand = 'BDBM50381159'   

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))	BDBM50381159 (CHEMBL2018217) Show SMILES CC1CN(CCO1)c1cc(=O)n2nc(C)n(Cc3cccc(Cl)c3Cl)c2n1 Show InChI InChI=1S/C18H19Cl2N5O2/c1-11-9-23(6-7-27-11)15-8-16(26)25-18(21-15)24(12(2)22-25)10-13-4-3-5-14(19)17(13)20/h3-5,8,11H,6-7,9-10H2,1-2H3	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	2	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta by continuous read time resolved fluorescence resonance energy transfer displacement assay				Bioorg Med Chem Lett 22: 3198-202 (2012) Article DOI: 10.1016/j.bmcl.2012.03.039 BindingDB Entry DOI: 10.7270/Q2TD9ZBP
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50381159 (CHEMBL2018217) Show SMILES CC1CN(CCO1)c1cc(=O)n2nc(C)n(Cc3cccc(Cl)c3Cl)c2n1 Show InChI InChI=1S/C18H19Cl2N5O2/c1-11-9-23(6-7-27-11)15-8-16(26)25-18(21-15)24(12(2)22-25)10-13-4-3-5-14(19)17(13)20/h3-5,8,11H,6-7,9-10H2,1-2H3	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	2	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta by continuous read time resolved fluorescence resonance energy transfer displacement assay				Bioorg Med Chem Lett 22: 3198-202 (2012) Article DOI: 10.1016/j.bmcl.2012.03.039 BindingDB Entry DOI: 10.7270/Q2TD9ZBP
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50381159 (CHEMBL2018217) Show SMILES CC1CN(CCO1)c1cc(=O)n2nc(C)n(Cc3cccc(Cl)c3Cl)c2n1 Show InChI InChI=1S/C18H19Cl2N5O2/c1-11-9-23(6-7-27-11)15-8-16(26)25-18(21-15)24(12(2)22-25)10-13-4-3-5-14(19)17(13)20/h3-5,8,11H,6-7,9-10H2,1-2H3	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	3.40	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of PI3K beta-mediated AKT phosphorylation at serine 473 in PTEN deficient human MDA-MB-468 cells after 30 mins				Bioorg Med Chem Lett 22: 3198-202 (2012) Article DOI: 10.1016/j.bmcl.2012.03.039 BindingDB Entry DOI: 10.7270/Q2TD9ZBP
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50381159 (CHEMBL2018217) Show SMILES CC1CN(CCO1)c1cc(=O)n2nc(C)n(Cc3cccc(Cl)c3Cl)c2n1 Show InChI InChI=1S/C18H19Cl2N5O2/c1-11-9-23(6-7-27-11)15-8-16(26)25-18(21-15)24(12(2)22-25)10-13-4-3-5-14(19)17(13)20/h3-5,8,11H,6-7,9-10H2,1-2H3	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	25	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta by continuous read time resolved fluorescence resonance energy transfer displacement assay				Bioorg Med Chem Lett 22: 3198-202 (2012) Article DOI: 10.1016/j.bmcl.2012.03.039 BindingDB Entry DOI: 10.7270/Q2TD9ZBP
					More data for this Ligand-Target Pair