Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Thioredoxin reductase 3' and Ligand = 'BDBM50218805'   

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))	BDBM50218805 (CHEMBL89586) Show SMILES Clc1ccccc1-c1ccc(COc2cccc3c2C(=O)C=CC32Oc3cccc4cccc(O2)c34)o1 |c:23| Show InChI InChI=1S/C31H19ClO5/c32-23-10-2-1-8-21(23)25-15-14-20(35-25)18-34-26-11-5-9-22-30(26)24(33)16-17-31(22)36-27-12-3-6-19-7-4-13-28(37-31)29(19)27/h1-17H,18H2	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
Thioredoxin reductase 3 (Homo sapiens (Human))	BDBM50218805 (CHEMBL89586) Show SMILES Clc1ccccc1-c1ccc(COc2cccc3c2C(=O)C=CC32Oc3cccc4cccc(O2)c34)o1 |c:23| Show InChI InChI=1S/C31H19ClO5/c32-23-10-2-1-8-21(23)25-15-14-20(35-25)18-34-26-11-5-9-22-30(26)24(33)16-17-31(22)36-27-12-3-6-19-7-4-13-28(37-31)29(19)27/h1-17H,18H2	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