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 = 'BDBM50138398'   

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))	BDBM50138398 ((4-Benzothiazol-6-yl-phenyl)-{4-[4-(piperazine-1-s...) Show SMILES O=S(=O)(N1CCNCC1)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)-c2ccc3ncsc3c2)n1 Show InChI InChI=1S/C27H24N6O2S2/c34-37(35,33-15-13-28-14-16-33)23-8-3-20(4-9-23)24-11-12-29-27(32-24)31-22-6-1-19(2-7-22)21-5-10-25-26(17-21)36-18-30-25/h1-12,17-18,28H,13-16H2,(H,29,31,32)	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	60	n/a	n/a	n/a	n/a	n/a	n/a
Celltech R&D Ltd Curated by ChEMBL					Assay Description Inhibitory activity against IKK2				Bioorg Med Chem Lett 14: 409-12 (2003) BindingDB Entry DOI: 10.7270/Q2WQ036V
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