Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Thioredoxin reductase 3' and Ligand = 'BDBM50218850'   

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))	BDBM50218850 (CHEMBL312843) Show SMILES FC(F)(F)c1cccc(c1)-c1ccc(COc2cccc3c2C(=O)C=CC32Oc3cccc4cccc(O2)c34)o1 |c:26| Show InChI InChI=1S/C32H19F3O5/c33-32(34,35)21-8-1-7-20(17-21)25-14-13-22(38-25)18-37-26-10-4-9-23-30(26)24(36)15-16-31(23)39-27-11-2-5-19-6-3-12-28(40-31)29(19)27/h1-17H,18H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.24E+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))	BDBM50218850 (CHEMBL312843) Show SMILES FC(F)(F)c1cccc(c1)-c1ccc(COc2cccc3c2C(=O)C=CC32Oc3cccc4cccc(O2)c34)o1 |c:26| Show InChI InChI=1S/C32H19F3O5/c33-32(34,35)21-8-1-7-20(17-21)25-14-13-22(38-25)18-37-26-10-4-9-23-30(26)24(36)15-16-31(23)39-27-11-2-5-19-6-3-12-28(40-31)29(19)27/h1-17H,18H2	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