Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Inhibitor of nuclear factor kappa-B kinase subunit alpha' and Ligand = 'BDBM50338236'   

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 alpha (Homo sapiens (Human))	BDBM50338236 (7-(1-(4-chlorobenzyl)piperidin-3-yl)-2-ureido-5,7-...) Show SMILES NC(=O)Nc1sc-2c(CCc3nn(cc-23)C2CCCN(Cc3ccc(Cl)cc3)C2)c1C(N)=O Show InChI InChI=1S/C23H25ClN6O2S/c24-14-5-3-13(4-6-14)10-29-9-1-2-15(11-29)30-12-17-18(28-30)8-7-16-19(21(25)31)22(27-23(26)32)33-20(16)17/h3-6,12,15H,1-2,7-11H2,(H2,25,31)(H3,26,27,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	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-alpha 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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