Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Inhibitor of nuclear factor kappa-B kinase subunit beta' and Ligand = 'BDBM50470413'   

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 beta (Homo sapiens (Human))	BDBM50470413 (CHEMBL4279795) Show SMILES [O-][N+](=O)c1ccc(Oc2ccc(\C=C3/SC(=O)N(C3=O)c3ccc(OCCCCN4CCN(CC5CC5)CC4)cc3)cc2)cc1 Show InChI InChI=1S/C34H36N4O6S/c39-33-32(23-25-5-11-30(12-6-25)44-31-15-9-28(10-16-31)38(41)42)45-34(40)37(33)27-7-13-29(14-8-27)43-22-2-1-17-35-18-20-36(21-19-35)24-26-3-4-26/h5-16,23,26H,1-4,17-22,24H2/b32-23-	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology (KIST) Curated by ChEMBL					Assay Description Inhibition of IKKbeta (unknown origin) using IkappaBalpha-derived 5FAMGRHDSGLDSMK-NH2 as substrate preincubated for 10 mins followed by substrate add...				Eur J Med Chem 157: 691-704 (2018) Article DOI: 10.1016/j.ejmech.2018.08.020 BindingDB Entry DOI: 10.7270/Q2RJ4N5K
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