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 = 'BDBM50175694'   

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))	BDBM50175694 ((4-(4-(benzo[b]thiophen-2-yl)pyrimidin-2-ylamino)p...) Show SMILES O=C(N1CCCC1)c1ccc(Nc2nccc(n2)-c2cc3ccccc3s2)cc1 Show InChI InChI=1S/C23H20N4OS/c28-22(27-13-3-4-14-27)16-7-9-18(10-8-16)25-23-24-12-11-19(26-23)21-15-17-5-1-2-6-20(17)29-21/h1-2,5-12,15H,3-4,13-14H2,(H,24,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.80E+3	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 IKK1				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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