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 = 'BDBM50403095'   

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))	BDBM50403095 (CHEMBL2216877) Show SMILES CN(C)CCCOc1cccc2n(c(nc12)C(F)F)-c1nc(OC2CCN(CC2)C(=O)CCl)nc(n1)N1CCOCC1 Show InChI InChI=1S/C27H35ClF2N8O4/c1-35(2)9-4-14-41-20-6-3-5-19-22(20)31-24(23(29)30)38(19)26-32-25(37-12-15-40-16-13-37)33-27(34-26)42-18-7-10-36(11-8-18)21(39)17-28/h3,5-6,18,23H,4,7-17H2,1-2H3	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
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