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 = 'BDBM50460228'   

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))	BDBM50460228 (CHEMBL4227780) Show SMILES CCCCS(=O)(=O)Nc1cc(cnc1OC)-c1ccc2ncnc(NCCN(C)C)c2c1 Show InChI InChI=1S/C22H30N6O3S/c1-5-6-11-32(29,30)27-20-13-17(14-24-22(20)31-4)16-7-8-19-18(12-16)21(26-15-25-19)23-9-10-28(2)3/h7-8,12-15,27H,5-6,9-11H2,1-4H3,(H,23,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	102	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal full length human PI3K p110delta/recombinant untagged full length human p85alpha expressed in baculovirus infect...				Bioorg Med Chem 26: 1675-1685 (2018) Article DOI: 10.1016/j.bmc.2018.02.015 BindingDB Entry DOI: 10.7270/Q2GF0X3Z
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