Compile Data Set for Download or QSAR

Found 91 hits of ic50 data for polymerid = 7154   

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 (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 (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 (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
Thioredoxin reductase 1, cytoplasmic (Homo sapiens (Human))	BDBM522155 (US11161815, Example 11) Show SMILES COc1ccc(c(n1)S(=O)(=O)C(C)C)[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	204	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))	BDBM522151 (US11161815, Example 7) Show SMILES CN(C)c1ccc(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	276	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))	BDBM522153 (US11161815, Example 9) Show SMILES CCCCCCS(=O)(=O)c1nc(ccc1[N+]([O-])=O)N(C)C Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	333	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))	BDBM524189 (US11168069, Example 2) Show SMILES COc1ccc(c(n1)S(=O)(=O)C1CCN(CC1)C(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	391	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

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