Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Thioredoxin reductase 1, cytoplasmic' and Ligand = 'BDBM50236285'   

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)	BDBM50236285 (CHEMBL4098009) Show SMILES Cl.CC1(C)N=C(N)N=C(N)N1OCCCOc1cccc(c1)C(=O)\C=C\c1ccccc1 |t:3,6| Show InChI InChI=1S/C23H27N5O3/c1-23(2)27-21(24)26-22(25)28(23)31-15-7-14-30-19-11-6-10-18(16-19)20(29)13-12-17-8-4-3-5-9-17/h3-6,8-13,16H,7,14-15H2,1-2H3,(H4,24,25,26,27)/b13-12+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.20E+3	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)	BDBM50236285 (CHEMBL4098009) Show SMILES Cl.CC1(C)N=C(N)N=C(N)N1OCCCOc1cccc(c1)C(=O)\C=C\c1ccccc1 |t:3,6| Show InChI InChI=1S/C23H27N5O3/c1-23(2)27-21(24)26-22(25)28(23)31-15-7-14-30-19-11-6-10-18(16-19)20(29)13-12-17-8-4-3-5-9-17/h3-6,8-13,16H,7,14-15H2,1-2H3,(H4,24,25,26,27)/b13-12+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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 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