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 = 'BDBM50257066'   

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))	BDBM50257066 (1-(6-(4-chlorophenoxy)hexyl)-2-ethynyl-3-(pyridin-...) Show SMILES Clc1ccc(OCCCCCCNC(NC#C)=Nc2ccncc2)cc1 |w:17.17| Show InChI InChI=1S/C20H23ClN4O/c1-2-23-20(25-18-11-14-22-15-12-18)24-13-5-3-4-6-16-26-19-9-7-17(21)8-10-19/h1,7-12,14-15H,3-6,13,16H2,(H2,22,23,24,25)	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	8	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of IKKbeta (unknown origin) by TR-FRET assay				Bioorg Med Chem 17: 2759-66 (2009) Article DOI: 10.1016/j.bmc.2009.02.041 BindingDB Entry DOI: 10.7270/Q2MW2H1K
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