Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Thioredoxin reductase 1, cytoplasmic' and Ligand = 'BDBM50236282'   

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)	BDBM50236282 (CHEMBL4104895) Show SMILES Cl.CC1(C)N=C(N)N=C(N)N1OCCOc1cccc(c1)C(=O)\C=C\c1ccccc1 |t:3,6| Show InChI InChI=1S/C22H25N5O3/c1-22(2)26-20(23)25-21(24)27(22)30-14-13-29-18-10-6-9-17(15-18)19(28)12-11-16-7-4-3-5-8-16/h3-12,15H,13-14H2,1-2H3,(H4,23,24,25,26)/b12-11+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.90E+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 60 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
Thioredoxin reductase 1, cytoplasmic (Rattus norvegicus)	BDBM50236282 (CHEMBL4104895) Show SMILES Cl.CC1(C)N=C(N)N=C(N)N1OCCOc1cccc(c1)C(=O)\C=C\c1ccccc1 |t:3,6| Show InChI InChI=1S/C22H25N5O3/c1-22(2)26-20(23)25-21(24)27(22)30-14-13-29-18-10-6-9-17(15-18)19(28)12-11-16-7-4-3-5-8-16/h3-12,15H,13-14H2,1-2H3,(H4,23,24,25,26)/b12-11+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.08E+4	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibitory concentration against Farnesyltransferase for Farnesylation of H-ras protein InNIH 3T3 cells transformed with activated H-ras				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