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 = 'BDBM50343672'   

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))	BDBM50343672 (CHEMBL1773328 | N-(1-(methylsulfonyl)piperidin-4-y...) Show SMILES CS(=O)(=O)N1CCC(CC1)Nc1nccc(n1)-c1ccc(cc1)S(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C20H27N5O5S2/c1-31(26,27)24-10-7-17(8-11-24)22-20-21-9-6-19(23-20)16-2-4-18(5-3-16)32(28,29)25-12-14-30-15-13-25/h2-6,9,17H,7-8,10-15H2,1H3,(H,21,22,23)	PDB 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	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of IKK2 using 5-FAM-GRHDSGLDSMK-NH2 as substrate by TR-FRET assay				Bioorg Med Chem Lett 21: 3002-6 (2011) Article DOI: 10.1016/j.bmcl.2011.03.044 BindingDB Entry DOI: 10.7270/Q22V2GDS
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