Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform' and Ligand = 'BDBM50004560'   

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 delta isoform (Homo sapiens (Human))	BDBM50004560 (CHEMBL2216878) Show SMILES OCCn1cnc2c(nc(nc12)N1CCOCC1)-n1c(nc2ccccc12)C(F)F |(28.44,-4.85,;26.94,-4.53,;25.91,-5.67,;24.4,-5.35,;23.78,-3.94,;22.25,-4.1,;21.93,-5.61,;20.6,-6.38,;20.6,-7.92,;21.93,-8.69,;23.27,-7.92,;23.26,-6.38,;21.92,-10.23,;20.59,-10.99,;20.58,-12.53,;21.91,-13.31,;23.25,-12.54,;23.26,-10.99,;19.27,-5.61,;18.66,-4.2,;17.13,-4.34,;16.79,-5.84,;15.44,-6.6,;15.43,-8.14,;16.77,-8.93,;18.11,-8.17,;18.12,-6.63,;19.44,-2.87,;20.98,-2.88,;18.69,-1.53,)| Show InChI InChI=1S/C19H19F2N7O2/c20-15(21)18-23-12-3-1-2-4-13(12)28(18)17-14-16(27(5-8-29)11-22-14)24-19(25-17)26-6-9-30-10-7-26/h1-4,11,15,29H,5-10H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	<30	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta				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