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 = 'BDBM50426454'   

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))	BDBM50426454 (CHEMBL2322660) Show SMILES NCC(=O)N1CCN(CC1)c1nc(nc(n1)-n1c(nc2ccccc12)C(F)F)N1CCOCC1 Show InChI InChI=1S/C21H25F2N9O2/c22-17(23)18-25-14-3-1-2-4-15(14)32(18)21-27-19(26-20(28-21)31-9-11-34-12-10-31)30-7-5-29(6-8-30)16(33)13-24/h1-4,17H,5-13,24H2	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	35	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Inhibition of PI3K-beta (unknown origin) assessed as decrease in ATP consumption using phosphotidylinositol bisphosphate and 10 uM ATP as substrate m...				ACS Med Chem Lett 4: 206-210 (2013) Article DOI: 10.1021/ml300336j BindingDB Entry DOI: 10.7270/Q2JH3NHG
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