Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Inhibitor of nuclear factor kappa-B kinase subunit epsilon' and Ligand = 'BDBM144195'   

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 epsilon (Homo sapiens (Human))	BDBM144195 (US8969335, A19) Show SMILES NC(=O)c1cc2cc(Nc3cc(ccn3)-c3ccc(OC4CCOCC4)c(c3)C#N)ccc2o1 Show InChI InChI=1S/C26H22N4O4/c27-15-19-11-16(1-3-23(19)33-21-6-9-32-10-7-21)17-5-8-29-25(14-17)30-20-2-4-22-18(12-20)13-24(34-22)26(28)31/h1-5,8,11-14,21H,6-7,9-10H2,(H2,28,31)(H,29,30)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	390	n/a	n/a	n/a	n/a	7.5	30
MERCK PATENT GmbH US Patent					Assay Description 1 nM IKKe, 800 nM biotinylated IkBalpha(19-42) peptide (Biotin-C6-C6-GLKKERLLDDRHDSGLDSMKDEE) and 10 μM ATP (spiked with 0.3 uCi of 33P-ATP/well) ar...				US Patent US8969335 (2015) BindingDB Entry DOI: 10.7270/Q25X27NN
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