Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Inhibitor of nuclear factor kappa-B kinase subunit beta' and Ligand = 'BDBM25953'   

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 beta (Homo sapiens (Human))	BDBM25953 (12-methyl-4-phenyl-N-[2-(piperidin-1-yl)ethyl]-3-t...) Show SMILES Cc1cnc2c(NCCN3CCCCC3)nc3cc(sc3n12)-c1ccccc1 Show InChI InChI=1S/C22H25N5S/c1-16-15-24-21-20(23-10-13-26-11-6-3-7-12-26)25-18-14-19(28-22(18)27(16)21)17-8-4-2-5-9-17/h2,4-5,8-9,14-15H,3,6-7,10-13H2,1H3,(H,23,25)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description Assays measuring the enzyme-catalyzed phosphorylation of GST-I kappa B alpha were performed. The phosphorylated substrate was detected using a Phosph...				Bioorg Med Chem Lett 17: 4284-9 (2007) Article DOI: 10.1016/j.bmcl.2007.05.031 BindingDB Entry DOI: 10.7270/Q2QF8R50
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