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 = 'BDBM50338249'   

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))	BDBM50338249 (7-(pyridin-2-ylmethyl)-2-ureido-5,7-dihydro-4H-thi...) Show SMILES NC(=O)Nc1sc-2c(CCc3nn(Cc4ccccn4)cc-23)c1C(N)=O Show InChI InChI=1S/C17H16N6O2S/c18-15(24)13-10-4-5-12-11(14(10)26-16(13)21-17(19)25)8-23(22-12)7-9-3-1-2-6-20-9/h1-3,6,8H,4-5,7H2,(H2,18,24)(H3,19,21,25)	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	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kyorin Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of human IKK-beta by substrate phosphorylation assay				Bioorg Med Chem Lett 21: 1758-62 (2011) Article DOI: 10.1016/j.bmcl.2011.01.069 BindingDB Entry DOI: 10.7270/Q2TX3FPV
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