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 = 'BDBM144202'   

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))	BDBM144202 (US8969335, A26) Show SMILES OC[C@H]1C[C@@H]1Cn1cc(Nc2cc(ccn2)-c2ccc(OC3CCOCC3)c(c2)C#N)cn1 Show InChI InChI=1S/C25H27N5O3/c26-12-19-9-17(1-2-24(19)33-23-4-7-32-8-5-23)18-3-6-27-25(11-18)29-22-13-28-30(15-22)14-20-10-21(20)16-31/h1-3,6,9,11,13,15,20-21,23,31H,4-5,7-8,10,14,16H2,(H,27,29)/t20-,21-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	27	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
					More data for this Ligand-Target Pair