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 = 'BDBM50338260'   

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))	BDBM50338260 (7-(1-(2-fluoro-4-hydroxybenzyl)piperidin-3-yl)-2-u...) Show SMILES NC(=O)Nc1sc-2c(CCc3nn(cc-23)C2CCCN(Cc3ccc(O)cc3F)C2)c1C(N)=O Show InChI InChI=1S/C23H25FN6O3S/c24-17-8-14(31)4-3-12(17)9-29-7-1-2-13(10-29)30-11-16-18(28-30)6-5-15-19(21(25)32)22(27-23(26)33)34-20(15)16/h3-4,8,11,13,31H,1-2,5-7,9-10H2,(H2,25,32)(H3,26,27,33)	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	900	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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