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 = 'BDBM373534'   

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))	BDBM373534 (US9903855, Molecule 2) Show SMILES Nc1c([nH]c2nc3\C(CCc3c(-c3ccco3)c12)=C\c1ccco1)C(=O)c1ccccc1 Show InChI InChI=1S/C26H19N3O3/c27-22-21-20(19-9-5-13-32-19)18-11-10-16(14-17-8-4-12-31-17)23(18)28-26(21)29-24(22)25(30)15-6-2-1-3-7-15/h1-9,12-14H,10-11,27H2,(H,28,29)/b16-14+	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
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