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 = 'BDBM27466'   

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))	BDBM27466 (2-amino-5-(4-fluorophenyl)-3-(4-sulfamoylphenyl)be...) Show SMILES NC(=O)c1cc(cc(c1N)-c1ccc(cc1)S(N)(=O)=O)-c1ccc(F)cc1 Show InChI InChI=1S/C19H16FN3O3S/c20-14-5-1-11(2-6-14)13-9-16(18(21)17(10-13)19(22)24)12-3-7-15(8-4-12)27(23,25)26/h1-10H,21H2,(H2,22,24)(H2,23,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	501	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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