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 = 'BDBM50449291'   

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))	BDBM50449291 (CHEMBL3125375) Show SMILES CC1Cc2cc(F)ccc2N1C(=O)Cc1nc(sc1C(N)=O)N1CCOCC1 Show InChI InChI=1S/C19H21FN4O3S/c1-11-8-12-9-13(20)2-3-15(12)24(11)16(25)10-14-17(18(21)26)28-19(22-14)23-4-6-27-7-5-23/h2-3,9,11H,4-8,10H2,1H3,(H2,21,26)	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	14	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta in human PTEN-deficient PC3 cells assessed as Akt phosphorylation at S473				Bioorg Med Chem Lett 24: 1506-10 (2014) Article DOI: 10.1016/j.bmcl.2014.02.004 BindingDB Entry DOI: 10.7270/Q25H7HR2
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50449291 (CHEMBL3125375) Show SMILES CC1Cc2cc(F)ccc2N1C(=O)Cc1nc(sc1C(N)=O)N1CCOCC1 Show InChI InChI=1S/C19H21FN4O3S/c1-11-8-12-9-13(20)2-3-15(12)24(11)16(25)10-14-17(18(21)26)28-19(22-14)23-4-6-27-7-5-23/h2-3,9,11H,4-8,10H2,1H3,(H2,21,26)	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	20	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Curated by ChEMBL					Assay Description Inhibition of human PI3Kbeta after 15 mins				Bioorg Med Chem Lett 24: 1506-10 (2014) Article DOI: 10.1016/j.bmcl.2014.02.004 BindingDB Entry DOI: 10.7270/Q25H7HR2
					More data for this Ligand-Target Pair