Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform' and Ligand = 'BDBM50403065'   

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))	BDBM50403065 (CHEMBL2216880) Show SMILES COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(CN(C)C)cc2)cc(OC)c1 Show InChI InChI=1S/C25H27N5O4S/c1-30(2)16-17-9-11-21(12-10-17)35(31,32)29-25-24(27-22-7-5-6-8-23(22)28-25)26-18-13-19(33-3)15-20(14-18)34-4/h5-15H,16H2,1-4H3,(H,26,27)(H,28,29)	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	16	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta in human PBMC assessed as inhibition of anti-IgM-induced AKT phosphorylation by FACS analysis				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))	BDBM50403065 (CHEMBL2216880) Show SMILES COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(CN(C)C)cc2)cc(OC)c1 Show InChI InChI=1S/C25H27N5O4S/c1-30(2)16-17-9-11-21(12-10-17)35(31,32)29-25-24(27-22-7-5-6-8-23(22)28-25)26-18-13-19(33-3)15-20(14-18)34-4/h5-15H,16H2,1-4H3,(H,26,27)(H,28,29)	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	27	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))	BDBM50403065 (CHEMBL2216880) Show SMILES COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(CN(C)C)cc2)cc(OC)c1 Show InChI InChI=1S/C25H27N5O4S/c1-30(2)16-17-9-11-21(12-10-17)35(31,32)29-25-24(27-22-7-5-6-8-23(22)28-25)26-18-13-19(33-3)15-20(14-18)34-4/h5-15H,16H2,1-4H3,(H,26,27)(H,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Merck Serono SA US Patent					Assay Description The assay combines the scintillation proximity assay technology (SPA, Amersham) with the capacity of neomycin (a polycationic antibiotic) to bind pho...				US Patent US8877757 (2014) BindingDB Entry DOI: 10.7270/Q2W094MT
					More data for this Ligand-Target Pair