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 = 'BDBM50377132'   

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))	BDBM50377132 (CHEMBL257189) Show SMILES O=S(=O)(N1CCOCC1)c1ccc(cc1)-c1ccnc(Nc2ccc3ncsc3c2)n1 Show InChI InChI=1S/C21H19N5O3S2/c27-31(28,26-9-11-29-12-10-26)17-4-1-15(2-5-17)18-7-8-22-21(25-18)24-16-3-6-19-20(13-16)30-14-23-19/h1-8,13-14H,9-12H2,(H,22,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
UCB Curated by ChEMBL					Assay Description Inhibition of IKK1				Bioorg Med Chem Lett 18: 3622-7 (2008) Article DOI: 10.1016/j.bmcl.2008.04.062 BindingDB Entry DOI: 10.7270/Q2P55PD3
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