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 = 'BDBM25944'   

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))	BDBM25944 (2-(3-{8-[(2-aminoethyl)amino]-12-methyl-3-thia-1,7...) Show SMILES Cc1cnc2c(NCCN)nc3cc(sc3n12)-c1cccc(CCO)c1 Show InChI InChI=1S/C19H21N5OS/c1-12-11-22-18-17(21-7-6-20)23-15-10-16(26-19(15)24(12)18)14-4-2-3-13(9-14)5-8-25/h2-4,9-11,25H,5-8,20H2,1H3,(H,21,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	910	n/a	n/a	n/a	n/a	7.5	30
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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