Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Thioredoxin reductase 3' and Ligand = 'BDBM50533351'   

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))	BDBM50533351 (CHEMBL4521088) Show SMILES COc1cccc(\C=C\C(=O)\C=C\c2nc(C)c(C)nc2C)c1O Show InChI InChI=1S/C19H20N2O3/c1-12-13(2)21-17(14(3)20-12)11-10-16(22)9-8-15-6-5-7-18(24-4)19(15)23/h5-11,23H,1-4H3/b9-8+,11-10+	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.64E+3	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of thioredoxin reductase in human A549/CDDP cells by DTNB dye based microplate spectrophotometry				J Med Chem 59: 1747-60 (2016) Article DOI: 10.1021/acs.jmedchem.5b01203 BindingDB Entry DOI: 10.7270/Q2VD72X3
					More data for this Ligand-Target Pair
Thioredoxin reductase 3 (Homo sapiens (Human))	BDBM50533351 (CHEMBL4521088) Show SMILES COc1cccc(\C=C\C(=O)\C=C\c2nc(C)c(C)nc2C)c1O Show InChI InChI=1S/C19H20N2O3/c1-12-13(2)21-17(14(3)20-12)11-10-16(22)9-8-15-6-5-7-18(24-4)19(15)23/h5-11,23H,1-4H3/b9-8+,11-10+	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.73E+3	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of thioredoxin reductase in human A549 cells by DTNB dye based microplate spectrophotometry				J Med Chem 59: 1747-60 (2016) Article DOI: 10.1021/acs.jmedchem.5b01203 BindingDB Entry DOI: 10.7270/Q2VD72X3
					More data for this Ligand-Target Pair
Thioredoxin reductase 3 (Homo sapiens (Human))	BDBM50533351 (CHEMBL4521088) Show SMILES COc1cccc(\C=C\C(=O)\C=C\c2nc(C)c(C)nc2C)c1O Show InChI InChI=1S/C19H20N2O3/c1-12-13(2)21-17(14(3)20-12)11-10-16(22)9-8-15-6-5-7-18(24-4)19(15)23/h5-11,23H,1-4H3/b9-8+,11-10+	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of thioredoxin reductase (unknown origin) after 2 hrs by DTNB dye based microplate spectrophotometry				J Med Chem 59: 1747-60 (2016) Article DOI: 10.1021/acs.jmedchem.5b01203 BindingDB Entry DOI: 10.7270/Q2VD72X3
					More data for this Ligand-Target Pair