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 = 'BDBM50358595'   

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))	BDBM50358595 (CHEMBL1923987) Show SMILES CNCC(=O)NCc1cccc(n1)-c1cc2c(nc(NC)c3ncn(C)c23)[nH]1 Show InChI InChI=1S/C19H22N8O/c1-20-9-15(28)22-8-11-5-4-6-13(24-11)14-7-12-17-16(23-10-27(17)3)19(21-2)26-18(12)25-14/h4-7,10,20H,8-9H2,1-3H3,(H,22,28)(H2,21,25,26)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	86	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of human IKK2-mediated GST-IkappaBalpha protein fusion phosphorylation				Bioorg Med Chem Lett 21: 7006-12 (2011) Article DOI: 10.1016/j.bmcl.2011.09.111 BindingDB Entry DOI: 10.7270/Q2Z038KC
					More data for this Ligand-Target Pair