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 = 'BDBM50395532'   

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))	BDBM50395532 (CHEMBL2164416) Show SMILES O=S(=O)(NC1CCS(=O)(=O)CC1)c1ccc(cc1)-c1ccnc2[nH]c(Cn3ccnn3)cc12 Show InChI InChI=1S/C21H22N6O4S2/c28-32(29)11-6-16(7-12-32)25-33(30,31)18-3-1-15(2-4-18)19-5-8-22-21-20(19)13-17(24-21)14-27-10-9-23-26-27/h1-5,8-10,13,16,25H,6-7,11-12,14H2,(H,22,24)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	15.8	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of IKK2 in presence of 1 uM ATP				Bioorg Med Chem Lett 22: 5222-6 (2012) Article DOI: 10.1016/j.bmcl.2012.06.065 BindingDB Entry DOI: 10.7270/Q29W0GM7
					More data for this Ligand-Target Pair