Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Inositol hexakisphosphate kinase 2' and Ligand = 'BDBM50187658'   

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
Inositol hexakisphosphate kinase 2 (Homo sapiens)	BDBM50187658 (4',5-dihydroxy-7-methoxy flavone | 4',5-dihydroxy-...) Show SMILES COc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)cc1 Show InChI InChI=1S/C16H12O5/c1-20-11-6-12(18)16-13(19)8-14(21-15(16)7-11)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Environmental Health Sciences Curated by ChEMBL					Assay Description Inhibition of human IP6K2 using insP6 as substrate preincubated for 15 mins followed by substrate and measured after 30 mins by TR-FRET assay				J Med Chem 62: 1443-1454 (2019) Article DOI: 10.1021/acs.jmedchem.8b01593 BindingDB Entry DOI: 10.7270/Q2FF3WRW
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