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 = 'BDBM50175689'   

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))	BDBM50175689 ((4-(4-(benzo[b]thiophen-2-yl)pyrimidin-2-ylamino)p...) Show SMILES CN(C)C1CCN(CC1)C(=O)c1ccc(Nc2nccc(n2)-c2cc3ccccc3s2)cc1 Show InChI InChI=1S/C26H27N5OS/c1-30(2)21-12-15-31(16-13-21)25(32)18-7-9-20(10-8-18)28-26-27-14-11-22(29-26)24-17-19-5-3-4-6-23(19)33-24/h3-11,14,17,21H,12-13,15-16H2,1-2H3,(H,27,28,29)	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	40	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibitory activity against IKK2				Bioorg Med Chem Lett 16: 108-12 (2005) Article DOI: 10.1016/j.bmcl.2005.09.035 BindingDB Entry DOI: 10.7270/Q2BR8RQV
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