Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Thioredoxin reductase 1, cytoplasmic' and Ligand = 'BDBM50385275'   

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 reductase 1, cytoplasmic (Rattus norvegicus)	BDBM50385275 (CHEMBL2035488) Show SMILES Clc1ccc2c(c1)[se]n(CCCCCn1[se]c3cc(Cl)ccc3c1=O)c2=O Show InChI InChI=1S/C19H16Cl2N2O2Se2/c20-12-4-6-14-16(10-12)26-22(18(14)24)8-2-1-3-9-23-19(25)15-7-5-13(21)11-17(15)27-23/h4-7,10-11H,1-3,8-9H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.54E+3	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of TrxR1 in rat liver homogenate preincubated for 5 mins measured by DNTB assay				Bioorg Med Chem 20: 3816-27 (2012) Article DOI: 10.1016/j.bmc.2012.04.033 BindingDB Entry DOI: 10.7270/Q2V69KND
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