Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Inhibitor of nuclear factor kappa-B kinase subunit epsilon' and Ligand = 'BDBM27454'   

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
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM27454 (5-(5,6-dimethoxy-1H-1,3-benzodiazol-1-yl)-3-hydrox...) Show SMILES COc1cc2ncn(-c3cc(O)c(s3)C#N)c2cc1OC Show InChI InChI=1S/C14H11N3O3S/c1-19-11-3-8-9(4-12(11)20-2)17(7-16-8)14-5-10(18)13(6-15)21-14/h3-5,7,18H,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.51E+3	n/a	n/a	n/a	n/a	7.4	22
GSK					Assay Description IKK kinase activity was assessed using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The reaction was initiated by the addi...				Bioorg Med Chem Lett 16: 6236-40 (2006) Article DOI: 10.1016/j.bmcl.2006.09.018 BindingDB Entry DOI: 10.7270/Q2VQ311M
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