Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Inhibitor of nuclear factor kappa-B kinase subunit beta' and Ligand = 'BDBM50413883'   

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))	BDBM50413883 (CHEMBL520473) Show SMILES Cc1cc2c(ccnc2[nH]1)-c1ccc(NS(=O)(=O)CCN)cc1 Show InChI InChI=1S/C16H18N4O2S/c1-11-10-15-14(6-8-18-16(15)19-11)12-2-4-13(5-3-12)20-23(21,22)9-7-17/h2-6,8,10,20H,7,9,17H2,1H3,(H,18,19)	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	16	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of human recombinant IKK2				Bioorg Med Chem Lett 19: 2504-8 (2009) Article DOI: 10.1016/j.bmcl.2009.03.034 BindingDB Entry DOI: 10.7270/Q2GF0VRN
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50413883 (CHEMBL520473) Show SMILES Cc1cc2c(ccnc2[nH]1)-c1ccc(NS(=O)(=O)CCN)cc1 Show InChI InChI=1S/C16H18N4O2S/c1-11-10-15-14(6-8-18-16(15)19-11)12-2-4-13(5-3-12)20-23(21,22)9-7-17/h2-6,8,10,20H,7,9,17H2,1H3,(H,18,19)	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	16	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human IKKbeta using GST-IkappaBalpha as substrate				Eur J Med Chem 63: 269-78 (2013) Article DOI: 10.1016/j.ejmech.2013.01.045 BindingDB Entry DOI: 10.7270/Q2XG9SHG
					More data for this Ligand-Target Pair