Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Thioredoxin reductase 3' and Ligand = 'BDBM50218803'   

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))	BDBM50218803 (CHEMBL316338) Show SMILES Clc1ccc(COc2cccc3c2C(=O)C=CC32Oc3cccc4cccc(O2)c34)cc1 |c:16| Show InChI InChI=1S/C27H17ClO4/c28-19-12-10-17(11-13-19)16-30-22-7-3-6-20-26(22)21(29)14-15-27(20)31-23-8-1-4-18-5-2-9-24(32-27)25(18)23/h1-15H,16H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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-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))	BDBM50218803 (CHEMBL316338) Show SMILES Clc1ccc(COc2cccc3c2C(=O)C=CC32Oc3cccc4cccc(O2)c34)cc1 |c:16| Show InChI InChI=1S/C27H17ClO4/c28-19-12-10-17(11-13-19)16-30-22-7-3-6-20-26(22)21(29)14-15-27(20)31-23-8-1-4-18-5-2-9-24(32-27)25(18)23/h1-15H,16H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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