Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Thioredoxin reductase 1, cytoplasmic' and Ligand = 'BDBM50236290'   

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 1, cytoplasmic (Rattus norvegicus)	BDBM50236290 (CHEMBL4083419) Show SMILES Cl.NC1=NC2(CCCC2)N(OCCOc2cccc(c2)C(=O)\C=C\c2ccccc2)C(N)=N1 |c:33,t:1| Show InChI InChI=1S/C24H27N5O3/c25-22-27-23(26)29(24(28-22)13-4-5-14-24)32-16-15-31-20-10-6-9-19(17-20)21(30)12-11-18-7-2-1-3-8-18/h1-3,6-12,17H,4-5,13-16H2,(H4,25,26,27,28)/b12-11+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibitory concentration was evaluated against Farnesyltransferase in the farnesylation of H-ras protein				J Med Chem 60: 1734-1745 (2017) Article DOI: 10.1021/acs.jmedchem.6b01253 BindingDB Entry DOI: 10.7270/Q2FJ2K2V
					More data for this Ligand-Target Pair
Thioredoxin reductase 1, cytoplasmic (Rattus norvegicus)	BDBM50236290 (CHEMBL4083419) Show SMILES Cl.NC1=NC2(CCCC2)N(OCCOc2cccc(c2)C(=O)\C=C\c2ccccc2)C(N)=N1 |c:33,t:1| Show InChI InChI=1S/C24H27N5O3/c25-22-27-23(26)29(24(28-22)13-4-5-14-24)32-16-15-31-20-10-6-9-19(17-20)21(30)12-11-18-7-2-1-3-8-18/h1-3,6-12,17H,4-5,13-16H2,(H4,25,26,27,28)/b12-11+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibition of recombinant rat liver thioredoxin reductase after 30 mins by DTNB reduction assay				J Med Chem 60: 1734-1745 (2017) Article DOI: 10.1021/acs.jmedchem.6b01253 BindingDB Entry DOI: 10.7270/Q2FJ2K2V
					More data for this Ligand-Target Pair