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 = 'BDBM50302191'   

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))	BDBM50302191 (3-amino-6-(2-hydroxyethylamino)-4-methylthieno[2,3...) Show SMILES Cc1cc(NCCO)nc2sc(C(N)=O)c(N)c12 Show InChI InChI=1S/C11H14N4O2S/c1-5-4-6(14-2-3-16)15-11-7(5)8(12)9(18-11)10(13)17/h4,16H,2-3,12H2,1H3,(H2,13,17)(H,14,15)	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	5.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Flag epitope-tagged IKK-beta preincubated for 5 mins by scintillation proximity assay				Bioorg Med Chem Lett 19: 5547-51 (2009) Article DOI: 10.1016/j.bmcl.2009.08.054 BindingDB Entry DOI: 10.7270/Q22Z16G1
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