Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Thioredoxin' and Ligand = 'BDBM50426064'   

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
Thioredoxin (Homo sapiens (Human))	BDBM50426064 (CHEMBL2315292) Show SMILES Nc1nc2nc(SSC3CCCCC3)[nH]c2c(=O)[nH]1 Show InChI InChI=1S/C11H15N5OS2/c12-10-14-8-7(9(17)16-10)13-11(15-8)19-18-6-4-2-1-3-5-6/h6H,1-5H2,(H4,12,13,14,15,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University Curated by ChEMBL					Assay Description Inhibition of human recombinant thioredoxin-mediated TG2 activation expressed in T84 cells assessed as blockade of 5-biotinamidopentylamine incorpora...				J Med Chem 56: 1301-10 (2013) Article DOI: 10.1021/jm301775s BindingDB Entry DOI: 10.7270/Q2HQ4181
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