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 = 'BDBM144139'   

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))	BDBM144139 (US8969335, A76) Show SMILES COc1nc(Nc2nccc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)ccc1C1=CCNCC1 |t:34| Show InChI InChI=1S/C27H28N6O3/c1-34-26-22(18-6-11-29-12-7-18)3-5-25(32-26)33-27-30-13-8-23(31-27)19-2-4-24(20(16-19)17-28)36-21-9-14-35-15-10-21/h2-6,8,13,16,21,29H,7,9-12,14-15H2,1H3,(H,30,31,32,33)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	21	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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