Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Thioredoxin reductase 1, cytoplasmic' and Ligand = 'BDBM50236288'   

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)	BDBM50236288 (CHEMBL4098945) Show SMILES Cl.CC1(C)N=C(N)N=C(N)N1OCCCCOc1ccc(cc1)C(=O)\C=C\c1ccccc1 |t:3,6| Show InChI InChI=1S/C24H29N5O3/c1-24(2)28-22(25)27-23(26)29(24)32-17-7-6-16-31-20-13-11-19(12-14-20)21(30)15-10-18-8-4-3-5-9-18/h3-5,8-15H,6-7,16-17H2,1-2H3,(H4,25,26,27,28)/b15-10+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description In vitro inhibitory activity against Geranylgeranyl transferase in the geranylgeranylation of H-ras-CAIL 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)	BDBM50236288 (CHEMBL4098945) Show SMILES Cl.CC1(C)N=C(N)N=C(N)N1OCCCCOc1ccc(cc1)C(=O)\C=C\c1ccccc1 |t:3,6| Show InChI InChI=1S/C24H29N5O3/c1-24(2)28-22(25)27-23(26)29(24)32-17-7-6-16-31-20-13-11-19(12-14-20)21(30)15-10-18-8-4-3-5-9-18/h3-5,8-15H,6-7,16-17H2,1-2H3,(H4,25,26,27,28)/b15-10+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.45E+4	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