Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform' and Ligand = 'BDBM50271205'   

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 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50271205 (CHEMBL4127114) Show SMILES FC(F)c1nc2ccccc2n1-c1nc(nc(n1)N1CCN(CC1)C(=O)CCOCCOCCOCCONC(=O)c1ccc(F)c(F)c1Nc1ccc(I)cc1F)N1CCOCC1 Show InChI InChI=1S/C41H44F5IN10O7/c42-28-7-6-27(35(34(28)44)48-30-8-5-26(47)25-29(30)43)38(59)53-64-24-23-63-22-21-62-20-19-60-16-9-33(58)54-10-12-55(13-11-54)39-50-40(56-14-17-61-18-15-56)52-41(51-39)57-32-4-2-1-3-31(32)49-37(57)36(45)46/h1-8,25,36,48H,9-24H2,(H,53,59)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of recombinant human full length His-tagged PI3K p110delta/p85alpha expressed in baculovirus expression system coexpressing PIK3R1 by TR-F...				ACS Med Chem Lett 8: 808-813 (2017) Article DOI: 10.1021/acsmedchemlett.7b00111 BindingDB Entry DOI: 10.7270/Q29W0J00
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