Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Thioredoxin reductase 3' and Ligand = 'BDBM50218842'   

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 3 (Homo sapiens (Human))	BDBM50218842 (CHEMBL419314) Show SMILES CC(=C)COc1cccc2c1C(=O)C=CC21Oc2cccc3cccc(O1)c23 |c:14| Show InChI InChI=1S/C24H18O4/c1-15(2)14-26-19-9-5-8-17-23(19)18(25)12-13-24(17)27-20-10-3-6-16-7-4-11-21(28-24)22(16)20/h3-13H,1,14H2,2H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Inhibition of thioredoxin-1/thioredoxin reductase system				Bioorg Med Chem Lett 11: 2637-41 (2001) BindingDB Entry DOI: 10.7270/Q22R3TTN
					More data for this Ligand-Target Pair
Thioredoxin reductase 3 (Homo sapiens (Human))	BDBM50218842 (CHEMBL419314) Show SMILES CC(=C)COc1cccc2c1C(=O)C=CC21Oc2cccc3cccc(O1)c23 |c:14| Show InChI InChI=1S/C24H18O4/c1-15(2)14-26-19-9-5-8-17-23(19)18(25)12-13-24(17)27-20-10-3-6-16-7-4-11-21(28-24)22(16)20/h3-13H,1,14H2,2H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Inhibition of thioredoxin reductase				Bioorg Med Chem Lett 11: 2637-41 (2001) BindingDB Entry DOI: 10.7270/Q22R3TTN
					More data for this Ligand-Target Pair