Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Inhibitor of nuclear factor kappa-B kinase subunit alpha' and Ligand = 'BDBM27465'   

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 alpha (Homo sapiens (Human))	BDBM27465 (2-amino-5-(4-fluorophenyl)-3-[4-(pyrrolidine-1-sul...) Show SMILES NC(=O)c1cc(cc(c1N)-c1ccc(cc1)S(=O)(=O)N1CCCC1)-c1ccc(F)cc1 Show InChI InChI=1S/C23H22FN3O3S/c24-18-7-3-15(4-8-18)17-13-20(22(25)21(14-17)23(26)28)16-5-9-19(10-6-16)31(29,30)27-11-1-2-12-27/h3-10,13-14H,1-2,11-12,25H2,(H2,26,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank 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 17: 3972-7 (2007) Article DOI: 10.1016/j.bmcl.2007.04.088 BindingDB Entry DOI: 10.7270/Q2QZ289W
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