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 = 'BDBM50124323'   

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))	BDBM50124323 (3-Amino-N-{3-[2-amino-3-cyano-6-(2-hydroxy-phenyl)...) Show SMILES NC(CC(O)=O)C(=O)Nc1cccc(c1)-c1cc(nc(N)c1C#N)-c1ccccc1O Show InChI InChI=1S/C22H19N5O4/c23-11-16-15(9-18(27-21(16)25)14-6-1-2-7-19(14)28)12-4-3-5-13(8-12)26-22(31)17(24)10-20(29)30/h1-9,17,28H,10,24H2,(H2,25,27)(H,26,31)(H,29,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto 619-0216 Curated by ChEMBL					Assay Description In vitro inhibitory concentration required against recombinant human IkB kinase beta (IKK-beta)				Bioorg Med Chem Lett 13: 913-8 (2003) BindingDB Entry DOI: 10.7270/Q2TM7BP1
					More data for this Ligand-Target Pair