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 = 'BDBM396936'   

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))	BDBM396936 (US9981963, Compound 31) Show SMILES CCn1cc(-c2c[nH]nc2C#N)c2cc(ncc12)C#CC(C)(C)O Show InChI InChI=1S/C18H17N5O/c1-4-23-11-15(14-9-21-22-16(14)8-19)13-7-12(20-10-17(13)23)5-6-18(2,3)24/h7,9-11,24H,4H2,1-3H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich Alexander University Erlangen					Assay Description Assay buffer was 50 mM Tris pH 7.5 containing 1 mM EGTA (ethylene glycol tetraacetic acid), 1 mM DTT (dithiothreitol), 0.1 mM Na3VO4, 5 mM MgCl2, 0.0...				J Med Chem 52: 3474-83 (2009) BindingDB Entry DOI: 10.7270/Q2PR7ZB4
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