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 = 'BDBM50420313'   

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))	BDBM50420313 (CHEMBL2089108) Show SMILES CCc1nc(=O)c2sc(nc2n1Cc1cccc(c1C)C(F)(F)F)N1CCOCC1 Show InChI InChI=1S/C20H21F3N4O2S/c1-3-15-24-18(28)16-17(25-19(30-16)26-7-9-29-10-8-26)27(15)11-13-5-4-6-14(12(13)2)20(21,22)23/h4-6H,3,7-11H2,1-2H3	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	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of PI3K beta by continuous TR-FRET assay				ACS Med Chem Lett 3: 524-529 (2012) Article DOI: 10.1021/ml300045b BindingDB Entry DOI: 10.7270/Q2J967PT
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50420313 (CHEMBL2089108) Show SMILES CCc1nc(=O)c2sc(nc2n1Cc1cccc(c1C)C(F)(F)F)N1CCOCC1 Show InChI InChI=1S/C20H21F3N4O2S/c1-3-15-24-18(28)16-17(25-19(30-16)26-7-9-29-10-8-26)27(15)11-13-5-4-6-14(12(13)2)20(21,22)23/h4-6H,3,7-11H2,1-2H3	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	n/a	n/a	16	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of PI3K beta in human PTEN-deficient MDA-MB-468 cells assessed as inhibition of Akt Ser473 phosphorylation				ACS Med Chem Lett 3: 524-529 (2012) Article DOI: 10.1021/ml300045b BindingDB Entry DOI: 10.7270/Q2J967PT
					More data for this Ligand-Target Pair