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 = 'BDBM373538'   

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))	BDBM373538 (US9903855, Molecule 5) Show SMILES OC(=O)CCCCCN1C(=O)N\C(=C/c2c(NCc3ccco3)nc3ccccn3c2=O)C1=O Show InChI InChI=1S/C23H23N5O6/c29-19(30)9-2-1-4-11-28-22(32)17(25-23(28)33)13-16-20(24-14-15-7-6-12-34-15)26-18-8-3-5-10-27(18)21(16)31/h3,5-8,10,12-13,24H,1-2,4,9,11,14H2,(H,25,33)(H,29,30)/b17-13-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description Please see Hutti, et al., (2012). Development of a High-Throughput Assay for Identifying Inhibitors of TBK1 and IKKε.				J Med Chem 50: 1876-85 (2007) BindingDB Entry DOI: 10.7270/Q2WW7M16
					More data for this Ligand-Target Pair