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 = 'BDBM144130'   

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))	BDBM144130 (US8969335, A67) Show SMILES OC[C@H]1C[C@@H]1Cn1cc(Nc2nccc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)cn1 |r| Show InChI InChI=1S/C24H26N6O3/c25-11-17-9-16(1-2-23(17)33-21-4-7-32-8-5-21)22-3-6-26-24(29-22)28-20-12-27-30(14-20)13-18-10-19(18)15-31/h1-3,6,9,12,14,18-19,21,31H,4-5,7-8,10,13,15H2,(H,26,28,29)/t18-,19-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4	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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