Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Thioredoxin reductase 1, cytoplasmic' and Ligand = 'BDBM50236321'   

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)	BDBM50236321 (CHEMBL4097389) Show SMILES Cl.CC1(C)N=C(N)N=C(N)N1OCCOc1cccc(\C=C\C(=O)c2ccccc2)c1 |t:3,6| Show InChI InChI=1S/C22H25N5O3/c1-22(2)26-20(23)25-21(24)27(22)30-14-13-29-18-10-6-7-16(15-18)11-12-19(28)17-8-4-3-5-9-17/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	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibition of high affinity uptake of [3H]dopamine into striatal nerve endings (synaptosomes)				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)	BDBM50236321 (CHEMBL4097389) Show SMILES Cl.CC1(C)N=C(N)N=C(N)N1OCCOc1cccc(\C=C\C(=O)c2ccccc2)c1 |t:3,6| Show InChI InChI=1S/C22H25N5O3/c1-22(2)26-20(23)25-21(24)27(22)30-14-13-29-18-10-6-7-16(15-18)11-12-19(28)17-8-4-3-5-9-17/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	Article PubMed	n/a	n/a	5.70E+3	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