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 = 'BDBM144144'   

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))	BDBM144144 (US8969335, A81) Show SMILES CN(C)Cc1ccnc(Nc2cc(ccn2)-c2ccc(OC3CCOCC3)c(c2)C#N)c1 Show InChI InChI=1S/C25H27N5O2/c1-30(2)17-18-5-9-27-24(13-18)29-25-15-20(6-10-28-25)19-3-4-23(21(14-19)16-26)32-22-7-11-31-12-8-22/h3-6,9-10,13-15,22H,7-8,11-12,17H2,1-2H3,(H,27,28,29)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	10	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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