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 = 'BDBM50004537'   

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))	BDBM50004537 (CHEMBL2216897) Show SMILES CC(=O)Nc1nc2ccc(cc2s1)-c1nn(Cc2cc3cccc(C)c3c(=O)n2-c2ccccc2C)c2ncnc(N)c12 |(25.34,-18.26,;24.58,-16.92,;25.35,-15.59,;23.04,-16.92,;22.26,-18.25,;22.88,-19.66,;21.73,-20.69,;21.71,-22.23,;20.37,-22.99,;19.04,-22.2,;19.06,-20.67,;20.4,-19.91,;20.73,-18.4,;17.91,-23.24,;18.08,-24.77,;16.69,-25.41,;16.7,-26.95,;18.03,-27.71,;19.37,-26.94,;20.71,-27.71,;22.03,-26.94,;23.36,-27.71,;23.36,-29.26,;22.03,-30.02,;22.02,-31.56,;20.7,-29.25,;19.38,-30.02,;19.38,-31.56,;18.05,-29.25,;16.72,-30.02,;16.72,-31.57,;15.38,-32.34,;14.05,-31.57,;14.05,-30.03,;15.38,-29.26,;15.38,-27.72,;15.64,-24.27,;14.12,-24.28,;13.33,-22.97,;14.09,-21.63,;15.62,-21.61,;16.38,-20.27,;16.4,-22.93,)| Show InChI InChI=1S/C32H26N8O2S/c1-17-7-4-5-10-24(17)40-22(13-20-9-6-8-18(2)26(20)31(40)42)15-39-30-27(29(33)34-16-35-30)28(38-39)21-11-12-23-25(14-21)43-32(37-23)36-19(3)41/h4-14,16H,15H2,1-3H3,(H2,33,34,35)(H,36,37,41)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	<100	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
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