Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Inhibitor of nuclear factor kappa-B kinase subunit alpha' and Ligand = 'BDBM50395531'   

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 alpha (Homo sapiens (Human))	BDBM50395531 (CHEMBL2164417) Show SMILES Cc1cc2c(ccnc2[nH]1)-c1ccc(nc1)S(=O)(=O)NC1CCS(=O)(=O)CC1 Show InChI InChI=1S/C18H20N4O4S2/c1-12-10-16-15(4-7-19-18(16)21-12)13-2-3-17(20-11-13)28(25,26)22-14-5-8-27(23,24)9-6-14/h2-4,7,10-11,14,22H,5-6,8-9H2,1H3,(H,19,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.94	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of IKK1 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