Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform' and Ligand = 'BDBM50093517'   

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 beta isoform (Homo sapiens (Human))	BDBM50093517 (CHEMBL3585583) Show SMILES CN(Cc1cccn2c1nc(cc2=O)N1CCOCC1)c1ccccc1 Show InChI InChI=1S/C15H18N6O5/c16-12-9-13(20-15(19-12)17-4-7-2-1-3-25-7)21(6-18-9)14-11(24)10(23)8(5-22)26-14/h1-3,6,8,10-11,14,22-24H,4-5H2,(H3,16,17,19,20)/t8?,10-,11-,14?/m0/s1	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	30	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged human p110beta expressed in Sf9 cells co-expressing p85alpha regulatory subunit using phosphatidylinositol substr...				Bioorg Med Chem 23: 3796-808 (2015) Article DOI: 10.1016/j.bmc.2015.03.073 BindingDB Entry DOI: 10.7270/Q29K4D0R
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