Compile Data Set for Download or QSAR

Found 227 hits Enz. Inhib. hit(s) with Target = 'Thioredoxin reductase 1, cytoplasmic'   

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)	BDBM50333880 (CHEMBL1614664 | Hypericin | Pseudohypericin) Show SMILES Cc1cc(O)c2c3c1c1c(CO)cc(O)c4c1c1c5c(c(O)cc(O)c5c4=O)c4c(O)cc(O)c(c4c31)c2=O Show InChI InChI=1S/C30H16O9/c1-7-2-9(32)19-23-15(7)16-8(6-31)3-10(33)20-24(16)28-26-18(12(35)5-14(37)22(26)30(20)39)17-11(34)4-13(36)21(29(19)38)25(17)27(23)28/h2-5,31-37H,6H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Mixed-type inhibition of rat liver cytosolic TrxR1 by Lineweaver-Burk plot analysis				Bioorg Med Chem 19: 631-41 (2011) Article DOI: 10.1016/j.bmc.2010.10.045 BindingDB Entry DOI: 10.7270/Q25D8S4N
					More data for this Ligand-Target Pair
Thioredoxin reductase 1, cytoplasmic (Rattus norvegicus)	BDBM50333880 (CHEMBL1614664 | Hypericin | Pseudohypericin) Show SMILES Cc1cc(O)c2c3c1c1c(CO)cc(O)c4c1c1c5c(c(O)cc(O)c5c4=O)c4c(O)cc(O)c(c4c31)c2=O Show InChI InChI=1S/C30H16O9/c1-7-2-9(32)19-23-15(7)16-8(6-31)3-10(33)20-24(16)28-26-18(12(35)5-14(37)22(26)30(20)39)17-11(34)4-13(36)21(29(19)38)25(17)27(23)28/h2-5,31-37H,6H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	8.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Mixed-type inhibition of rat liver cytosolic TrxR1 at protein-substrate complex by Lineweaver-Burk plot analysis				Bioorg Med Chem 19: 631-41 (2011) Article DOI: 10.1016/j.bmc.2010.10.045 BindingDB Entry DOI: 10.7270/Q25D8S4N
					More data for this Ligand-Target Pair
Thioredoxin reductase 1, cytoplasmic (Homo sapiens (Human))	BDBM501863 (US11028067, Example 4) Show SMILES COc1ccc(c(n1)S(=O)(=O)c1ccncc1)[N+]([O-])=O Show InChI InChI=1S/C11H9N3O5S/c1-19-10-3-2-9(14(15)16)11(13-10)20(17,18)8-4-6-12-7-5-8/h2-7H,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.854	n/a	n/a	n/a	n/a	n/a	n/a
Oblique Therapeutics AB US Patent					Assay Description Small molecule inhibition of recombinant thioredoxin reductase 1 (TrxR1) and gluthathione reductase (GR) was examined in 96-well plate format. 30 nM ...				US Patent US11028067 (2021) BindingDB Entry DOI: 10.7270/Q2Q81H65
					More data for this Ligand-Target Pair
Thioredoxin reductase 1, cytoplasmic (Homo sapiens (Human))	BDBM522169 (US11161815, Example 25) Show SMILES COc1ccc(c(n1)S(=O)(=O)Cc1ccc(OC(F)(F)F)cc1)[N+]([O-])=O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.03	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Small molecule inhibition of recombinant thioredoxin reductase 1 (TrxR1) and gluthathione reductase (GR) was examined in 96-well plate format. 30 nM ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2G73HWC
					More data for this Ligand-Target Pair
Thioredoxin reductase 1, cytoplasmic (Homo sapiens (Human))	BDBM522162 (US11161815, Example 18) Show SMILES COc1ccc(c(n1)S(=O)(=O)CCN1CCCCC1)[N+]([O-])=O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.52	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Small molecule inhibition of recombinant thioredoxin reductase 1 (TrxR1) and gluthathione reductase (GR) was examined in 96-well plate format. 30 nM ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2G73HWC
					More data for this Ligand-Target Pair
Thioredoxin reductase 1, cytoplasmic (Homo sapiens (Human))	BDBM531217 (US11208384, Example 1) Show SMILES COc1ccc(c(n1)S(=O)c1ccc(Cl)cc1)[N+]([O-])=O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.16	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Small molecule inhibition of recombinant thioredoxin reductase 1 (TrxR1) and gluthathione reductase (GR) was examined in 96-well plate format. 30 nM ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2SX6HDX
					More data for this Ligand-Target Pair
Thioredoxin reductase 1, cytoplasmic (Homo sapiens (Human))	BDBM501865 (US11028067, Example 6) Show SMILES COc1ccc(c(n1)S(=O)(=O)c1ncc[nH]1)[N+]([O-])=O Show InChI InChI=1S/C9H8N4O5S/c1-18-7-3-2-6(13(14)15)8(12-7)19(16,17)9-10-4-5-11-9/h2-5H,1H3,(H,10,11)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.99	n/a	n/a	n/a	n/a	n/a	n/a
Oblique Therapeutics AB US Patent					Assay Description Small molecule inhibition of recombinant thioredoxin reductase 1 (TrxR1) and gluthathione reductase (GR) was examined in 96-well plate format. 30 nM ...				US Patent US11028067 (2021) BindingDB Entry DOI: 10.7270/Q2Q81H65
					More data for this Ligand-Target Pair
Thioredoxin reductase 1, cytoplasmic (Homo sapiens (Human))	BDBM522165 (US11161815, Example 21) Show SMILES COc1ccc(c(n1)S(=O)(=O)Cc1ccc(Cl)cc1)[N+]([O-])=O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.35	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Small molecule inhibition of recombinant thioredoxin reductase 1 (TrxR1) and gluthathione reductase (GR) was examined in 96-well plate format. 30 nM ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2G73HWC
					More data for this Ligand-Target Pair
Thioredoxin reductase 1, cytoplasmic (Homo sapiens (Human))	BDBM522166 (US11161815, Example 22) Show SMILES COc1ccc(c(n1)S(=O)(=O)Cc1ccc(F)cc1)[N+]([O-])=O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.05	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Small molecule inhibition of recombinant thioredoxin reductase 1 (TrxR1) and gluthathione reductase (GR) was examined in 96-well plate format. 30 nM ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2G73HWC
					More data for this Ligand-Target Pair
Thioredoxin reductase 1, cytoplasmic (Homo sapiens (Human))	BDBM501860 (US11028067, Example 1 | US11028067, Example 8) Show SMILES COc1ccc(c(n1)S(=O)(=O)c1ccccn1)[N+]([O-])=O Show InChI InChI=1S/C11H9N3O5S/c1-19-9-6-5-8(14(15)16)11(13-9)20(17,18)10-4-2-3-7-12-10/h2-7H,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
Oblique Therapeutics AB US Patent					Assay Description Small molecule inhibition of recombinant thioredoxin reductase 1 (TrxR1) and gluthathione reductase (GR) was examined in 96-well plate format. 30 nM ...				US Patent US11028067 (2021) BindingDB Entry DOI: 10.7270/Q2Q81H65
					More data for this Ligand-Target Pair
Thioredoxin reductase 1, cytoplasmic (Homo sapiens (Human))	BDBM522173 (US11161815, Example 29) Show SMILES COc1ccc(c(n1)S(=O)(=O)Cc1ccco1)[N+]([O-])=O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.78	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Small molecule inhibition of recombinant thioredoxin reductase 1 (TrxR1) and gluthathione reductase (GR) was examined in 96-well plate format. 30 nM ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2G73HWC
					More data for this Ligand-Target Pair
Thioredoxin reductase 1, cytoplasmic (Homo sapiens (Human))	BDBM501866 (US11028067, Example 7) Show SMILES COc1ccc(c(n1)S(=O)(=O)c1nc(C)cs1)[N+]([O-])=O Show InChI InChI=1S/C10H9N3O5S2/c1-6-5-19-10(11-6)20(16,17)9-7(13(14)15)3-4-8(12-9)18-2/h3-5H,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.90	n/a	n/a	n/a	n/a	n/a	n/a
Oblique Therapeutics AB US Patent					Assay Description Small molecule inhibition of recombinant thioredoxin reductase 1 (TrxR1) and gluthathione reductase (GR) was examined in 96-well plate format. 30 nM ...				US Patent US11028067 (2021) BindingDB Entry DOI: 10.7270/Q2Q81H65
					More data for this Ligand-Target Pair
Thioredoxin reductase 1, cytoplasmic (Homo sapiens (Human))	BDBM522164 (US11161815, Example 20) Show SMILES COc1ccc(c(n1)S(=O)(=O)Cc1cccc(Cl)c1)[N+]([O-])=O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.16	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Small molecule inhibition of recombinant thioredoxin reductase 1 (TrxR1) and gluthathione reductase (GR) was examined in 96-well plate format. 30 nM ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2G73HWC
					More data for this Ligand-Target Pair
Thioredoxin reductase 1, cytoplasmic (Homo sapiens (Human))	BDBM522171 (US11161815, Example 27) Show SMILES COc1ccc(c(n1)S(=O)(=O)CCCc1ccccc1)[N+]([O-])=O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.33	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Small molecule inhibition of recombinant thioredoxin reductase 1 (TrxR1) and gluthathione reductase (GR) was examined in 96-well plate format. 30 nM ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2G73HWC
					More data for this Ligand-Target Pair
Thioredoxin reductase 1, cytoplasmic (Homo sapiens (Human))	BDBM522163 (US11161815, Example 19) Show SMILES COc1ccc(c(n1)S(=O)(=O)Cc1ccccc1Cl)[N+]([O-])=O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Small molecule inhibition of recombinant thioredoxin reductase 1 (TrxR1) and gluthathione reductase (GR) was examined in 96-well plate format. 30 nM ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2G73HWC
					More data for this Ligand-Target Pair
Thioredoxin reductase 1, cytoplasmic (Homo sapiens (Human))	BDBM50576853 (CHEMBL4859206) Show SMILES Oc1ccccc1-c1nc(no1)-c1ccc(cc1)C(F)(F)F Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of TrxR1 (unknown origin) assessed as reduction in DTNB to TNB by colorimetric assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113475 BindingDB Entry DOI: 10.7270/Q2JH3R1F
					More data for this Ligand-Target Pair
Thioredoxin reductase 1, cytoplasmic (Homo sapiens (Human))	BDBM50576853 (CHEMBL4859206) Show SMILES Oc1ccccc1-c1nc(no1)-c1ccc(cc1)C(F)(F)F Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of TrxR1 (unknown origin) assessed as reduction in DTNB to TNB by colorimetric assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113475 BindingDB Entry DOI: 10.7270/Q2JH3R1F
					More data for this Ligand-Target Pair
Thioredoxin reductase 1, cytoplasmic (Homo sapiens (Human))	BDBM501864 (US11028067, Example 5) Show SMILES COc1ccc(c(n1)S(=O)(=O)c1ncccn1)[N+]([O-])=O Show InChI InChI=1S/C10H8N4O5S/c1-19-8-4-3-7(14(15)16)9(13-8)20(17,18)10-11-5-2-6-12-10/h2-6H,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10.8	n/a	n/a	n/a	n/a	n/a	n/a
Oblique Therapeutics AB US Patent					Assay Description Small molecule inhibition of recombinant thioredoxin reductase 1 (TrxR1) and gluthathione reductase (GR) was examined in 96-well plate format. 30 nM ...				US Patent US11028067 (2021) BindingDB Entry DOI: 10.7270/Q2Q81H65
					More data for this Ligand-Target Pair
Thioredoxin reductase 1, cytoplasmic (Homo sapiens (Human))	BDBM522156 (US11161815, Example 12) Show SMILES CCCCCCCCS(=O)(=O)c1nc(OC)ccc1[N+]([O-])=O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12.3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Small molecule inhibition of recombinant thioredoxin reductase 1 (TrxR1) and gluthathione reductase (GR) was examined in 96-well plate format. 30 nM ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2G73HWC
					More data for this Ligand-Target Pair
Thioredoxin reductase 1, cytoplasmic (Homo sapiens (Human))	BDBM50576851 (CHEMBL1876217) Show SMILES Oc1ccccc1-c1nc(no1)-c1ccccc1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of TrxR1 (unknown origin) assessed as reduction in DTNB to TNB by colorimetric assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113475 BindingDB Entry DOI: 10.7270/Q2JH3R1F
					More data for this Ligand-Target Pair
Thioredoxin reductase 1, cytoplasmic (Homo sapiens (Human))	BDBM50576851 (CHEMBL1876217) Show SMILES Oc1ccccc1-c1nc(no1)-c1ccccc1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of TrxR1 (unknown origin) assessed as reduction in DTNB to TNB by colorimetric assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113475 BindingDB Entry DOI: 10.7270/Q2JH3R1F
					More data for this Ligand-Target Pair
Thioredoxin reductase 1, cytoplasmic (Homo sapiens (Human))	BDBM522167 (US11161815, Example 23) Show SMILES COc1ccc(c(n1)S(=O)(=O)Cc1ccc(C)cc1)[N+]([O-])=O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	14.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Small molecule inhibition of recombinant thioredoxin reductase 1 (TrxR1) and gluthathione reductase (GR) was examined in 96-well plate format. 30 nM ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2G73HWC
					More data for this Ligand-Target Pair
Thioredoxin reductase 1, cytoplasmic (Homo sapiens (Human))	BDBM50576852 (CHEMBL4849098) Show SMILES Oc1ccccc1-c1nc(Cc2ccccc2)no1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of TrxR1 (unknown origin) assessed as reduction in DTNB to TNB by colorimetric assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113475 BindingDB Entry DOI: 10.7270/Q2JH3R1F
					More data for this Ligand-Target Pair
Thioredoxin reductase 1, cytoplasmic (Homo sapiens (Human))	BDBM50576852 (CHEMBL4849098) Show SMILES Oc1ccccc1-c1nc(Cc2ccccc2)no1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of TrxR1 (unknown origin) assessed as reduction in DTNB to TNB by colorimetric assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113475 BindingDB Entry DOI: 10.7270/Q2JH3R1F
					More data for this Ligand-Target Pair
Thioredoxin reductase 1, cytoplasmic (Homo sapiens (Human))	BDBM522145 (US11161815, Example 1) Show SMILES COc1ccc(c(n1)S(=O)(=O)Cc1ccccc1)[N+]([O-])=O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	18.2	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Small molecule inhibition of recombinant thioredoxin reductase 1 (TrxR1) and gluthathione reductase (GR) was examined in 96-well plate format. 30 nM ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2G73HWC
					More data for this Ligand-Target Pair
Thioredoxin reductase 1, cytoplasmic (Homo sapiens (Human))	BDBM522170 (US11161815, Example 26) Show SMILES COc1ccc(c(n1)S(=O)(=O)CCc1ccccc1)[N+]([O-])=O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	18.8	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Small molecule inhibition of recombinant thioredoxin reductase 1 (TrxR1) and gluthathione reductase (GR) was examined in 96-well plate format. 30 nM ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2G73HWC
					More data for this Ligand-Target Pair
Thioredoxin reductase 1, cytoplasmic (Homo sapiens (Human))	BDBM522172 (US11161815, Example 28) Show SMILES COc1ccc(c(n1)S(=O)(=O)CCOc1ccccc1)[N+]([O-])=O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	20.3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Small molecule inhibition of recombinant thioredoxin reductase 1 (TrxR1) and gluthathione reductase (GR) was examined in 96-well plate format. 30 nM ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2G73HWC
					More data for this Ligand-Target Pair
Thioredoxin reductase 1, cytoplasmic (Homo sapiens (Human))	BDBM522168 (US11161815, Example 24) Show SMILES COc1ccc(CS(=O)(=O)c2nc(OC)ccc2[N+]([O-])=O)cc1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	25.3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Small molecule inhibition of recombinant thioredoxin reductase 1 (TrxR1) and gluthathione reductase (GR) was examined in 96-well plate format. 30 nM ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2G73HWC
					More data for this Ligand-Target Pair
Thioredoxin reductase 1, cytoplasmic (Homo sapiens (Human))	BDBM501860 (US11028067, Example 1 | US11028067, Example 8) Show SMILES COc1ccc(c(n1)S(=O)(=O)c1ccccn1)[N+]([O-])=O Show InChI InChI=1S/C11H9N3O5S/c1-19-9-6-5-8(14(15)16)11(13-9)20(17,18)10-4-2-3-7-12-10/h2-7H,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	26.8	n/a	n/a	n/a	n/a	n/a	n/a
Oblique Therapeutics AB US Patent					Assay Description Small molecule inhibition of recombinant thioredoxin reductase 1 (TrxR1) and gluthathione reductase (GR) was examined in 96-well plate format. 30 nM ...				US Patent US11028067 (2021) BindingDB Entry DOI: 10.7270/Q2Q81H65
					More data for this Ligand-Target Pair
Thioredoxin reductase 1, cytoplasmic (Homo sapiens (Human))	BDBM524190 (US11168069, Example 3) Show SMILES COc1ccc(c(n1)S(=O)(=O)C1CCOCC1)[N+]([O-])=O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	39.1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Small molecule inhibition of recombinant thioredoxin reductase 1 (TrxR1) and gluthathione reductase (GR) was examined in 96-well plate format. 30 nM ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2G44TG2
					More data for this Ligand-Target Pair
Thioredoxin reductase 1, cytoplasmic (Homo sapiens (Human))	BDBM522148 (US11161815, Example 4) Show SMILES [O-][N+](=O)c1ccc(Cl)nc1S(=O)(=O)Cc1ccccc1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	39.2	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Small molecule inhibition of recombinant thioredoxin reductase 1 (TrxR1) and gluthathione reductase (GR) was examined in 96-well plate format. 30 nM ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2G73HWC
					More data for this Ligand-Target Pair
Thioredoxin reductase 1, cytoplasmic (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of TrxR1 (unknown origin) assessed as reduction in DTNB to TNB by colorimetric assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113475 BindingDB Entry DOI: 10.7270/Q2JH3R1F
					More data for this Ligand-Target Pair
Thioredoxin reductase 1, cytoplasmic (Homo sapiens (Human))	BDBM522150 (US11161815, Example 6) Show SMILES CCCCCCS(=O)(=O)c1nc(Cl)ccc1[N+]([O-])=O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Small molecule inhibition of recombinant thioredoxin reductase 1 (TrxR1) and gluthathione reductase (GR) was examined in 96-well plate format. 30 nM ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2G73HWC
					More data for this Ligand-Target Pair
Thioredoxin reductase 1, cytoplasmic (Homo sapiens (Human))	BDBM501861 (US11028067, Example 2) Show SMILES [O-][N+](=O)c1ccc(Cl)nc1S(=O)(=O)c1ccccn1 Show InChI InChI=1S/C10H6ClN3O4S/c11-8-5-4-7(14(15)16)10(13-8)19(17,18)9-3-1-2-6-12-9/h1-6H	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	56.9	n/a	n/a	n/a	n/a	n/a	n/a
Oblique Therapeutics AB US Patent					Assay Description Small molecule inhibition of recombinant thioredoxin reductase 1 (TrxR1) and gluthathione reductase (GR) was examined in 96-well plate format. 30 nM ...				US Patent US11028067 (2021) BindingDB Entry DOI: 10.7270/Q2Q81H65
					More data for this Ligand-Target Pair
Thioredoxin reductase 1, cytoplasmic (Homo sapiens (Human))	BDBM522160 (US11161815, Example 16) Show SMILES COC(=O)CCS(=O)(=O)c1nc(OC)ccc1[N+]([O-])=O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	60.6	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Small molecule inhibition of recombinant thioredoxin reductase 1 (TrxR1) and gluthathione reductase (GR) was examined in 96-well plate format. 30 nM ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2G73HWC
					More data for this Ligand-Target Pair
Thioredoxin reductase 1, cytoplasmic (Homo sapiens (Human))	BDBM522174 (US11161815, Example 30) Show SMILES COc1ccc(c(n1)S(=O)(=O)CCc1cnccn1)[N+]([O-])=O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	66.9	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Small molecule inhibition of recombinant thioredoxin reductase 1 (TrxR1) and gluthathione reductase (GR) was examined in 96-well plate format. 30 nM ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2G73HWC
					More data for this Ligand-Target Pair
Thioredoxin reductase 1, cytoplasmic (Homo sapiens (Human))	BDBM522176 (US11161815, Example 32) Show SMILES COc1ccc(c(n1)S(=O)Cc1ccccc1)[N+]([O-])=O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	76.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Small molecule inhibition of recombinant thioredoxin reductase 1 (TrxR1) and gluthathione reductase (GR) was examined in 96-well plate format. 30 nM ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2G73HWC
					More data for this Ligand-Target Pair
Thioredoxin reductase 1, cytoplasmic (Homo sapiens (Human))	BDBM524188 (US11168069, Example 1) Show SMILES COc1ccc(c(n1)S(=O)(=O)C1CCOC1C)[N+]([O-])=O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	93	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Small molecule inhibition of recombinant thioredoxin reductase 1 (TrxR1) and gluthathione reductase (GR) was examined in 96-well plate format. 30 nM ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2G44TG2
					More data for this Ligand-Target Pair
Thioredoxin reductase 1, cytoplasmic (Homo sapiens (Human))	BDBM522158 (US11161815, Example 14) Show SMILES COc1ccc(c(n1)S(=O)(=O)CCCCC(F)(F)F)[N+]([O-])=O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	96.9	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Small molecule inhibition of recombinant thioredoxin reductase 1 (TrxR1) and gluthathione reductase (GR) was examined in 96-well plate format. 30 nM ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2G73HWC
					More data for this Ligand-Target Pair
Thioredoxin reductase 1, cytoplasmic (Homo sapiens (Human))	BDBM522161 (US11161815, Example 17) Show SMILES COc1ccc(c(n1)S(=O)(=O)CCCO)[N+]([O-])=O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	103	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Small molecule inhibition of recombinant thioredoxin reductase 1 (TrxR1) and gluthathione reductase (GR) was examined in 96-well plate format. 30 nM ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2G73HWC
					More data for this Ligand-Target Pair
Thioredoxin reductase 1, cytoplasmic (Homo sapiens (Human))	BDBM522159 (US11161815, Example 15) Show SMILES COc1ccc(c(n1)S(=O)(=O)CCNC(C)=O)[N+]([O-])=O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	122	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Small molecule inhibition of recombinant thioredoxin reductase 1 (TrxR1) and gluthathione reductase (GR) was examined in 96-well plate format. 30 nM ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2G73HWC
					More data for this Ligand-Target Pair
Thioredoxin reductase 1, cytoplasmic (Homo sapiens (Human))	BDBM522154 (US11161815, Example 10) Show SMILES CCS(=O)(=O)c1nc(OC)ccc1[N+]([O-])=O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	124	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Small molecule inhibition of recombinant thioredoxin reductase 1 (TrxR1) and gluthathione reductase (GR) was examined in 96-well plate format. 30 nM ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2G73HWC
					More data for this Ligand-Target Pair
Thioredoxin reductase 1, cytoplasmic (Rattus norvegicus)	BDBM50385274 (CHEMBL2035489) Show SMILES COc1ccc2[se]n(CCn3[se]c4ccc(OC)cc4c3=O)c(=O)c2c1 Show InChI InChI=1S/C18H16N2O4Se2/c1-23-11-3-5-15-13(9-11)17(21)19(25-15)7-8-20-18(22)14-10-12(24-2)4-6-16(14)26-20/h3-6,9-10H,7-8H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of TrxR1 in rat liver homogenate preincubated for 5 mins measured by DNTB assay				Bioorg Med Chem 20: 3816-27 (2012) Article DOI: 10.1016/j.bmc.2012.04.033 BindingDB Entry DOI: 10.7270/Q2V69KND
					More data for this Ligand-Target Pair
Thioredoxin reductase 1, cytoplasmic (Homo sapiens (Human))	BDBM522175 (US11161815, Example 31) Show SMILES CCS(=O)c1nc(OC)ccc1N(O)=O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	131	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Small molecule inhibition of recombinant thioredoxin reductase 1 (TrxR1) and gluthathione reductase (GR) was examined in 96-well plate format. 30 nM ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2G73HWC
					More data for this Ligand-Target Pair
Thioredoxin reductase 1, cytoplasmic (Homo sapiens (Human))	BDBM522157 (US11161815, Example 13) Show SMILES COc1ccc(c(n1)S(=O)(=O)C1CC1)[N+]([O-])=O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Small molecule inhibition of recombinant thioredoxin reductase 1 (TrxR1) and gluthathione reductase (GR) was examined in 96-well plate format. 30 nM ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2G73HWC
					More data for this Ligand-Target Pair
Thioredoxin reductase 1, cytoplasmic (Homo sapiens (Human))	BDBM522149 (US11161815, Example 5) Show SMILES [O-][N+](=O)c1ccc(Cl)nc1S(=O)(=O)C1CCCC1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	181	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Small molecule inhibition of recombinant thioredoxin reductase 1 (TrxR1) and gluthathione reductase (GR) was examined in 96-well plate format. 30 nM ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2G73HWC
					More data for this Ligand-Target Pair
Thioredoxin reductase 1, cytoplasmic (Homo sapiens (Human))	BDBM522152 (US11161815, Example 8) Show SMILES CN(C)c1ccc(c(n1)S(=O)(=O)C1CCCC1)[N+]([O-])=O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	188	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Small molecule inhibition of recombinant thioredoxin reductase 1 (TrxR1) and gluthathione reductase (GR) was examined in 96-well plate format. 30 nM ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2G73HWC
					More data for this Ligand-Target Pair
Thioredoxin reductase 1, cytoplasmic (Rattus norvegicus)	BDBM50551265 (CHEMBL4792536) Show SMILES CN(CCOC(=O)\C=C\C(=O)c1ccc(F)cc1)C(C(=O)NC(C)(C)C)c1ccc(F)c(F)c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant rat TrxR1 using DTNB as substrate preincubated for 15 mins followed by substrate addition and measured for 20 mins by color...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112119 BindingDB Entry DOI: 10.7270/Q24M9851
					More data for this Ligand-Target Pair
Thioredoxin reductase 1, cytoplasmic (Homo sapiens (Human))	BDBM50547498 (CHEMBL4755909) Show SMILES CN(C)c1ccc(\C=C\C=C2/CCC=CC2=O)cc1 |c:13| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of TrxR in human BEL-7402/5-FU cells by colorimetric assay				Citation and Details Article DOI: 10.1021/acs.jnatprod.0c00599 BindingDB Entry DOI: 10.7270/Q2H998TV
					More data for this Ligand-Target Pair
Thioredoxin reductase 1, cytoplasmic (Homo sapiens (Human))	BDBM50547497 (CHEMBL4757091) Show SMILES COc1cc(\C=C\C=C2/CCC=CC2=O)ccc1O |c:11| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of TrxR in human BEL-7402/5-FU cells by colorimetric assay				Citation and Details Article DOI: 10.1021/acs.jnatprod.0c00599 BindingDB Entry DOI: 10.7270/Q2H998TV
					More data for this Ligand-Target Pair

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