Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform' and Ligand = 'BDBM50004543'   

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))	BDBM50004543 (CHEMBL2216843) Show SMILES Cc1csc2nc(Cn3nc(-c4cc(O)cc(F)c4)c4c(N)ncnc34)n(-c3ccccc3C)c(=O)c12 |(42.28,-26.88,;41.82,-25.41,;42.74,-24.17,;41.84,-22.92,;40.37,-23.38,;39.03,-22.61,;37.7,-23.39,;36.36,-22.62,;36.36,-21.08,;37.76,-20.45,;37.59,-18.92,;38.73,-17.88,;40.19,-18.36,;41.33,-17.32,;42.8,-17.79,;41,-15.81,;39.53,-15.35,;39.19,-13.84,;38.4,-16.39,;36.08,-18.61,;35.31,-17.29,;36.08,-15.95,;33.78,-17.29,;33.01,-18.63,;33.79,-19.95,;35.32,-19.94,;37.7,-24.93,;36.37,-25.7,;35.03,-24.93,;33.7,-25.7,;33.7,-27.24,;35.05,-28.01,;36.37,-27.24,;37.71,-28,;39.03,-25.69,;39.03,-27.23,;40.36,-24.93,)| Show InChI InChI=1S/C26H20FN7O2S/c1-13-5-3-4-6-18(13)34-19(31-25-20(26(34)36)14(2)11-37-25)10-33-24-21(23(28)29-12-30-24)22(32-33)15-7-16(27)9-17(35)8-15/h3-9,11-12,35H,10H2,1-2H3,(H2,28,29,30)	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	<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
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50004543 (CHEMBL2216843) Show SMILES Cc1csc2nc(Cn3nc(-c4cc(O)cc(F)c4)c4c(N)ncnc34)n(-c3ccccc3C)c(=O)c12 |(42.28,-26.88,;41.82,-25.41,;42.74,-24.17,;41.84,-22.92,;40.37,-23.38,;39.03,-22.61,;37.7,-23.39,;36.36,-22.62,;36.36,-21.08,;37.76,-20.45,;37.59,-18.92,;38.73,-17.88,;40.19,-18.36,;41.33,-17.32,;42.8,-17.79,;41,-15.81,;39.53,-15.35,;39.19,-13.84,;38.4,-16.39,;36.08,-18.61,;35.31,-17.29,;36.08,-15.95,;33.78,-17.29,;33.01,-18.63,;33.79,-19.95,;35.32,-19.94,;37.7,-24.93,;36.37,-25.7,;35.03,-24.93,;33.7,-25.7,;33.7,-27.24,;35.05,-28.01,;36.37,-27.24,;37.71,-28,;39.03,-25.69,;39.03,-27.23,;40.36,-24.93,)| Show InChI InChI=1S/C26H20FN7O2S/c1-13-5-3-4-6-18(13)34-19(31-25-20(26(34)36)14(2)11-37-25)10-33-24-21(23(28)29-12-30-24)22(32-33)15-7-16(27)9-17(35)8-15/h3-9,11-12,35H,10H2,1-2H3,(H2,28,29,30)	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	<100	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta by cell-based assay				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