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 = 'BDBM50323727'   

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))	BDBM50323727 (2-((9H-purin-6-ylthio)methyl)-5-chloro-3-(2-methox...) Show SMILES COc1ccccc1-n1c(CSc2ncnc3nc[nH]c23)nc2cccc(Cl)c2c1=O |(19.17,3.9,;19.17,2.36,;20.51,1.59,;21.84,2.36,;23.18,1.61,;23.18,.05,;21.86,-.72,;20.52,.04,;19.19,-.72,;19.2,-2.28,;20.54,-3.05,;20.54,-4.59,;21.87,-5.36,;21.86,-6.89,;23.22,-7.65,;24.55,-6.88,;24.53,-5.33,;25.67,-4.3,;25.02,-2.9,;23.5,-3.07,;23.19,-4.57,;17.86,-3.06,;16.53,-2.29,;15.19,-3.06,;13.86,-2.29,;13.85,-.75,;15.18,.02,;15.18,1.56,;16.52,-.75,;17.85,.03,;17.85,1.57,)| Show InChI InChI=1S/C21H15ClN6O2S/c1-30-15-8-3-2-7-14(15)28-16(27-13-6-4-5-12(22)17(13)21(28)29)9-31-20-18-19(24-10-23-18)25-11-26-20/h2-8,10-11H,9H2,1H3,(H,23,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta in presence of 10 uM ATP				J Med Chem 55: 8559-81 (2012) Article DOI: 10.1021/jm300847w BindingDB Entry DOI: 10.7270/Q2SN0B47
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50323727 (2-((9H-purin-6-ylthio)methyl)-5-chloro-3-(2-methox...) Show SMILES COc1ccccc1-n1c(CSc2ncnc3nc[nH]c23)nc2cccc(Cl)c2c1=O |(19.17,3.9,;19.17,2.36,;20.51,1.59,;21.84,2.36,;23.18,1.61,;23.18,.05,;21.86,-.72,;20.52,.04,;19.19,-.72,;19.2,-2.28,;20.54,-3.05,;20.54,-4.59,;21.87,-5.36,;21.86,-6.89,;23.22,-7.65,;24.55,-6.88,;24.53,-5.33,;25.67,-4.3,;25.02,-2.9,;23.5,-3.07,;23.19,-4.57,;17.86,-3.06,;16.53,-2.29,;15.19,-3.06,;13.86,-2.29,;13.85,-.75,;15.18,.02,;15.18,1.56,;16.52,-.75,;17.85,.03,;17.85,1.57,)| Show InChI InChI=1S/C21H15ClN6O2S/c1-30-15-8-3-2-7-14(15)28-16(27-13-6-4-5-12(22)17(13)21(28)29)9-31-20-18-19(24-10-23-18)25-11-26-20/h2-8,10-11H,9H2,1H3,(H,23,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Medical Research Council-Laboratory of Molecular Biology Curated by ChEMBL					Assay Description Inhibition of p110beta				Nat Chem Biol 6: 117-24 (2010) Article DOI: 10.1038/nchembio.293 BindingDB Entry DOI: 10.7270/Q2KP82CK
					More data for this Ligand-Target Pair