Compile Data Set for Download or QSAR

Found 54 hits Enz. Inhib. hit(s) with all data for entry = 50048509   

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 3 (Homo sapiens (Human))	BDBM50218814 (CHEMBL88230) Show SMILES Oc1cccc2c1C(=O)C=CC21Oc2cccc3cccc(O1)c23 |c:10| Show InChI InChI=1S/C20H12O4/c21-14-7-3-6-13-19(14)15(22)10-11-20(13)23-16-8-1-4-12-5-2-9-17(24-20)18(12)16/h1-11,21H	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Inhibition of thioredoxin-1/thioredoxin reductase system				Bioorg Med Chem Lett 11: 2637-41 (2001) BindingDB Entry DOI: 10.7270/Q22R3TTN
					More data for this Ligand-Target Pair
Thioredoxin reductase 3 (Homo sapiens (Human))	BDBM50218801 (CHEMBL89232) Show SMILES O=C1CCCC2=C1C1(Oc3cccc4cccc(O1)c34)C=CC2=O |c:5,24| Show InChI InChI=1S/C20H14O4/c21-14-10-11-20(19-13(14)6-3-7-15(19)22)23-16-8-1-4-12-5-2-9-17(24-20)18(12)16/h1-2,4-5,8-11H,3,6-7H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Inhibition of thioredoxin-1/thioredoxin reductase system				Bioorg Med Chem Lett 11: 2637-41 (2001) BindingDB Entry DOI: 10.7270/Q22R3TTN
					More data for this Ligand-Target Pair
Thioredoxin reductase 3 (Homo sapiens (Human))	BDBM50218857 (CHEMBL91078) Show SMILES Oc1cccc2c1C(=O)C=CC21OCCO1 |c:10| Show InChI InChI=1S/C12H10O4/c13-9-3-1-2-8-11(9)10(14)4-5-12(8)15-6-7-16-12/h1-5,13H,6-7H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Inhibition of thioredoxin-1/thioredoxin reductase system				Bioorg Med Chem Lett 11: 2637-41 (2001) BindingDB Entry DOI: 10.7270/Q22R3TTN
					More data for this Ligand-Target Pair
Thioredoxin reductase 3 (Homo sapiens (Human))	BDBM50218804 (CHEMBL89475 | SCH-49209) Show SMILES [H][C@]12O[C@@]1([H])C1(Oc3cccc4cccc(O1)c34)[C@@]13O[C@@]1([C@@H](O)C=CC3=O)[C@H]2O |c:28| Show InChI InChI=1S/C20H14O7/c21-12-7-8-13(22)19-18(12,27-19)16(23)15-17(24-15)20(19)25-10-5-1-3-9-4-2-6-11(26-20)14(9)10/h1-8,12,15-17,21,23H/t12-,15+,16-,17+,18-,19-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Inhibition of thioredoxin-1/thioredoxin reductase system				Bioorg Med Chem Lett 11: 2637-41 (2001) BindingDB Entry DOI: 10.7270/Q22R3TTN
					More data for this Ligand-Target Pair
Thioredoxin reductase 3 (Homo sapiens (Human))	BDBM50218842 (CHEMBL419314) Show SMILES CC(=C)COc1cccc2c1C(=O)C=CC21Oc2cccc3cccc(O1)c23 |c:14| Show InChI InChI=1S/C24H18O4/c1-15(2)14-26-19-9-5-8-17-23(19)18(25)12-13-24(17)27-20-10-3-6-16-7-4-11-21(28-24)22(16)20/h3-13H,1,14H2,2H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Inhibition of thioredoxin-1/thioredoxin reductase system				Bioorg Med Chem Lett 11: 2637-41 (2001) BindingDB Entry DOI: 10.7270/Q22R3TTN
					More data for this Ligand-Target Pair
Thioredoxin reductase 3 (Homo sapiens (Human))	BDBM50218802 (CHEMBL89366) Show SMILES O[C@H]1C2C3CC(C=C3)C2[C@@H](O)C2=C1C(=O)C=CC21Oc2cccc3cccc(O1)c23 |c:6,13,18| Show InChI InChI=1S/C25H20O5/c26-15-9-10-25(29-16-5-1-3-12-4-2-6-17(30-25)18(12)16)22-21(15)23(27)19-13-7-8-14(11-13)20(19)24(22)28/h1-10,13-14,19-20,23-24,27-28H,11H2/t13?,14?,19?,20?,23-,24+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Inhibition of thioredoxin-1/thioredoxin reductase system				Bioorg Med Chem Lett 11: 2637-41 (2001) BindingDB Entry DOI: 10.7270/Q22R3TTN
					More data for this Ligand-Target Pair
Thioredoxin reductase 3 (Homo sapiens (Human))	BDBM50218857 (CHEMBL91078) Show SMILES Oc1cccc2c1C(=O)C=CC21OCCO1 |c:10| Show InChI InChI=1S/C12H10O4/c13-9-3-1-2-8-11(9)10(14)4-5-12(8)15-6-7-16-12/h1-5,13H,6-7H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Inhibition of thioredoxin reductase				Bioorg Med Chem Lett 11: 2637-41 (2001) BindingDB Entry DOI: 10.7270/Q22R3TTN
					More data for this Ligand-Target Pair
Thioredoxin reductase 3 (Homo sapiens (Human))	BDBM50218798 (CHEMBL91371) Show SMILES Brc1ccc(cc1)-c1ccc(COc2cccc3c2C(=O)C=CC32Oc3cccc4cccc(O2)c34)o1 |c:23| Show InChI InChI=1S/C31H19BrO5/c32-21-12-10-19(11-13-21)25-15-14-22(35-25)18-34-26-7-3-6-23-30(26)24(33)16-17-31(23)36-27-8-1-4-20-5-2-9-28(37-31)29(20)27/h1-17H,18H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.02E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Inhibition of thioredoxin-1/thioredoxin reductase system				Bioorg Med Chem Lett 11: 2637-41 (2001) BindingDB Entry DOI: 10.7270/Q22R3TTN
					More data for this Ligand-Target Pair
Thioredoxin reductase 3 (Homo sapiens (Human))	BDBM50218814 (CHEMBL88230) Show SMILES Oc1cccc2c1C(=O)C=CC21Oc2cccc3cccc(O1)c23 |c:10| Show InChI InChI=1S/C20H12O4/c21-14-7-3-6-13-19(14)15(22)10-11-20(13)23-16-8-1-4-12-5-2-9-17(24-20)18(12)16/h1-11,21H	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Inhibition of thioredoxin reductase				Bioorg Med Chem Lett 11: 2637-41 (2001) BindingDB Entry DOI: 10.7270/Q22R3TTN
					More data for this Ligand-Target Pair
Thioredoxin reductase 3 (Homo sapiens (Human))	BDBM50218800 (CHEMBL90494) Show SMILES O=C1CCCC2=C1C1(Oc3cccc4cccc(O1)c34)C1OC1C2=O |c:5| Show InChI InChI=1S/C20H14O5/c21-12-7-3-6-11-16(12)20(19-18(23-19)17(11)22)24-13-8-1-4-10-5-2-9-14(25-20)15(10)13/h1-2,4-5,8-9,18-19H,3,6-7H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.22E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Inhibition of thioredoxin-1/thioredoxin reductase system				Bioorg Med Chem Lett 11: 2637-41 (2001) BindingDB Entry DOI: 10.7270/Q22R3TTN
					More data for this Ligand-Target Pair
Thioredoxin reductase 3 (Homo sapiens (Human))	BDBM50218810 (CHEMBL91726) Show SMILES O=C1C=CC2(Oc3cccc4cccc(O2)c34)c2cccc(OCC#C)c12 |c:2| Show InChI InChI=1S/C23H14O4/c1-2-14-25-18-9-5-8-16-22(18)17(24)12-13-23(16)26-19-10-3-6-15-7-4-11-20(27-23)21(15)19/h1,3-13H,14H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.34E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Inhibition of thioredoxin-1/thioredoxin reductase system				Bioorg Med Chem Lett 11: 2637-41 (2001) BindingDB Entry DOI: 10.7270/Q22R3TTN
					More data for this Ligand-Target Pair
Thioredoxin reductase 3 (Homo sapiens (Human))	BDBM50218804 (CHEMBL89475 | SCH-49209) Show SMILES [H][C@]12O[C@@]1([H])C1(Oc3cccc4cccc(O1)c34)[C@@]13O[C@@]1([C@@H](O)C=CC3=O)[C@H]2O |c:28| Show InChI InChI=1S/C20H14O7/c21-12-7-8-13(22)19-18(12,27-19)16(23)15-17(24-15)20(19)25-10-5-1-3-9-4-2-6-11(26-20)14(9)10/h1-8,12,15-17,21,23H/t12-,15+,16-,17+,18-,19-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.35E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Inhibition of thioredoxin reductase				Bioorg Med Chem Lett 11: 2637-41 (2001) BindingDB Entry DOI: 10.7270/Q22R3TTN
					More data for this Ligand-Target Pair
Thioredoxin reductase 3 (Homo sapiens (Human))	BDBM50218862 (CHEMBL90563) Show SMILES [H][C@@]12O[C@]1([H])C1(Oc3cccc4cccc(O1)c34)[C@]13O[C@]1(CCCC3=O)C2=O Show InChI InChI=1S/C20H14O6/c21-13-8-3-9-18-16(22)15-17(23-15)20(19(13,18)26-18)24-11-6-1-4-10-5-2-7-12(25-20)14(10)11/h1-2,4-7,15,17H,3,8-9H2/t15-,17-,18+,19+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.35E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Inhibition of thioredoxin-1/thioredoxin reductase system				Bioorg Med Chem Lett 11: 2637-41 (2001) BindingDB Entry DOI: 10.7270/Q22R3TTN
					More data for this Ligand-Target Pair
Thioredoxin reductase 3 (Homo sapiens (Human))	BDBM50218798 (CHEMBL91371) Show SMILES Brc1ccc(cc1)-c1ccc(COc2cccc3c2C(=O)C=CC32Oc3cccc4cccc(O2)c34)o1 |c:23| Show InChI InChI=1S/C31H19BrO5/c32-21-12-10-19(11-13-21)25-15-14-22(35-25)18-34-26-7-3-6-23-30(26)24(33)16-17-31(23)36-27-8-1-4-20-5-2-9-28(37-31)29(20)27/h1-17H,18H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.01E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Inhibition of thioredoxin reductase				Bioorg Med Chem Lett 11: 2637-41 (2001) BindingDB Entry DOI: 10.7270/Q22R3TTN
					More data for this Ligand-Target Pair
Thioredoxin reductase 3 (Homo sapiens (Human))	BDBM50218851 (CHEMBL88268 | SR-14) Show SMILES C=CCOc1cccc2c1C(=O)C=CC21Oc2cccc3cccc(O1)c23 |c:13| Show InChI InChI=1S/C23H16O4/c1-2-14-25-18-9-5-8-16-22(18)17(24)12-13-23(16)26-19-10-3-6-15-7-4-11-20(27-23)21(15)19/h2-13H,1,14H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.32E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Inhibition of thioredoxin-1/thioredoxin reductase system				Bioorg Med Chem Lett 11: 2637-41 (2001) BindingDB Entry DOI: 10.7270/Q22R3TTN
					More data for this Ligand-Target Pair
Thioredoxin reductase 3 (Homo sapiens (Human))	BDBM50218853 (CHEMBL89858 | SR-10) Show SMILES O=C1C=CC2(Oc3cccc4cccc(O2)c34)c2cccc(OCc3ccoc3)c12 |c:2| Show InChI InChI=1S/C25H16O5/c26-19-10-12-25(29-21-8-1-4-17-5-2-9-22(30-25)23(17)21)18-6-3-7-20(24(18)19)28-15-16-11-13-27-14-16/h1-14H,15H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.32E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Inhibition of thioredoxin-1/thioredoxin reductase system				Bioorg Med Chem Lett 11: 2637-41 (2001) BindingDB Entry DOI: 10.7270/Q22R3TTN
					More data for this Ligand-Target Pair
Thioredoxin reductase 3 (Homo sapiens (Human))	BDBM50218844 (CHEMBL313317) Show SMILES COc1cccc2c1C(=O)C=CC21OCCCO1 |c:11| Show InChI InChI=1S/C14H14O4/c1-16-12-5-2-4-10-13(12)11(15)6-7-14(10)17-8-3-9-18-14/h2,4-7H,3,8-9H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.02E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Inhibition of thioredoxin-1/thioredoxin reductase system				Bioorg Med Chem Lett 11: 2637-41 (2001) BindingDB Entry DOI: 10.7270/Q22R3TTN
					More data for this Ligand-Target Pair
Thioredoxin reductase 3 (Homo sapiens (Human))	BDBM50218809 (CHEMBL329397 | SR-11) Show SMILES O=C1C=CC2(Oc3cccc4cccc(O2)c34)c2cccc(OCc3ccccn3)c12 |c:2| Show InChI InChI=1S/C26H17NO4/c28-20-13-14-26(30-22-11-3-6-17-7-4-12-23(31-26)24(17)22)19-9-5-10-21(25(19)20)29-16-18-8-1-2-15-27-18/h1-15H,16H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.18E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Inhibition of thioredoxin-1/thioredoxin reductase system				Bioorg Med Chem Lett 11: 2637-41 (2001) BindingDB Entry DOI: 10.7270/Q22R3TTN
					More data for this Ligand-Target Pair
Thioredoxin reductase 3 (Homo sapiens (Human))	BDBM50218850 (CHEMBL312843) Show SMILES FC(F)(F)c1cccc(c1)-c1ccc(COc2cccc3c2C(=O)C=CC32Oc3cccc4cccc(O2)c34)o1 |c:26| Show InChI InChI=1S/C32H19F3O5/c33-32(34,35)21-8-1-7-20(17-21)25-14-13-22(38-25)18-37-26-10-4-9-23-30(26)24(36)15-16-31(23)39-27-11-2-5-19-6-3-12-28(40-31)29(19)27/h1-17H,18H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.24E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Inhibition of thioredoxin-1/thioredoxin reductase system				Bioorg Med Chem Lett 11: 2637-41 (2001) BindingDB Entry DOI: 10.7270/Q22R3TTN
					More data for this Ligand-Target Pair
Thioredoxin reductase 3 (Homo sapiens (Human))	BDBM50218858 (CHEMBL433412) Show SMILES O=C1CCCC23OC12C1(Oc2cccc4cccc(O1)c24)C=CC3=O |c:26| Show InChI InChI=1S/C20H14O5/c21-15-9-11-19(20-16(22)8-3-10-18(15,20)25-20)23-13-6-1-4-12-5-2-7-14(24-19)17(12)13/h1-2,4-7,9,11H,3,8,10H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Inhibition of thioredoxin-1/thioredoxin reductase system				Bioorg Med Chem Lett 11: 2637-41 (2001) BindingDB Entry DOI: 10.7270/Q22R3TTN
					More data for this Ligand-Target Pair
Thioredoxin reductase 3 (Homo sapiens (Human))	BDBM50218856 (CHEMBL91727) Show SMILES COc1ccc(COc2cccc3c2C(=O)C=CC32Oc3cccc4cccc(O2)c34)cc1 |c:17| Show InChI InChI=1S/C28H20O5/c1-30-20-13-11-18(12-14-20)17-31-23-8-4-7-21-27(23)22(29)15-16-28(21)32-24-9-2-5-19-6-3-10-25(33-28)26(19)24/h2-16H,17H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Inhibition of thioredoxin reductase				Bioorg Med Chem Lett 11: 2637-41 (2001) BindingDB Entry DOI: 10.7270/Q22R3TTN
					More data for this Ligand-Target Pair
Thioredoxin reductase 3 (Homo sapiens (Human))	BDBM50218860 (CHEMBL439585) Show SMILES [H][C@@]12O[C@]1([H])C1(Oc3cccc4cccc(O1)c34)[C@@]13O[C@@]1(CCCC3=O)C2=O Show InChI InChI=1S/C20H14O6/c21-13-8-3-9-18-16(22)15-17(23-15)20(19(13,18)26-18)24-11-6-1-4-10-5-2-7-12(25-20)14(10)11/h1-2,4-7,15,17H,3,8-9H2/t15-,17-,18-,19-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Inhibition of thioredoxin-1/thioredoxin reductase system				Bioorg Med Chem Lett 11: 2637-41 (2001) BindingDB Entry DOI: 10.7270/Q22R3TTN
					More data for this Ligand-Target Pair
Thioredoxin reductase 3 (Homo sapiens (Human))	BDBM50218863 (CHEMBL86449) Show SMILES Brc1ccc(COc2cccc3c2C(=O)C=CC32Oc3cccc4cccc(O2)c34)cc1 |c:16| Show InChI InChI=1S/C27H17BrO4/c28-19-12-10-17(11-13-19)16-30-22-7-3-6-20-26(22)21(29)14-15-27(20)31-23-8-1-4-18-5-2-9-24(32-27)25(18)23/h1-15H,16H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Inhibition of thioredoxin-1/thioredoxin reductase system				Bioorg Med Chem Lett 11: 2637-41 (2001) BindingDB Entry DOI: 10.7270/Q22R3TTN
					More data for this Ligand-Target Pair
Thioredoxin reductase 3 (Homo sapiens (Human))	BDBM50218854 (CHEMBL440697 | SR-13) Show SMILES O=C1C=CC2(Oc3cccc4cccc(O2)c34)c2cccc(OCc3ccncc3)c12 |c:2| Show InChI InChI=1S/C26H17NO4/c28-20-10-13-26(30-22-8-1-4-18-5-2-9-23(31-26)24(18)22)19-6-3-7-21(25(19)20)29-16-17-11-14-27-15-12-17/h1-15H,16H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Inhibition of thioredoxin reductase				Bioorg Med Chem Lett 11: 2637-41 (2001) BindingDB Entry DOI: 10.7270/Q22R3TTN
					More data for this Ligand-Target Pair
Thioredoxin reductase 3 (Homo sapiens (Human))	BDBM50218864 (CHEMBL88947) Show SMILES COc1cccc(COc2cccc3c2C(=O)C=CC32Oc3cccc4cccc(O2)c34)c1 |c:18| Show InChI InChI=1S/C28H20O5/c1-30-20-9-2-6-18(16-20)17-31-23-11-5-10-21-27(23)22(29)14-15-28(21)32-24-12-3-7-19-8-4-13-25(33-28)26(19)24/h2-16H,17H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Inhibition of thioredoxin-1/thioredoxin reductase system				Bioorg Med Chem Lett 11: 2637-41 (2001) BindingDB Entry DOI: 10.7270/Q22R3TTN
					More data for this Ligand-Target Pair
Thioredoxin reductase 3 (Homo sapiens (Human))	BDBM50218813 (CHEMBL88831) Show SMILES FC(F)(F)c1ccccc1-c1ccc(COc2cccc3c2C(=O)C=CC32Oc3cccc4cccc(O2)c34)o1 |c:26| Show InChI InChI=1S/C32H19F3O5/c33-32(34,35)22-9-2-1-8-21(22)25-15-14-20(38-25)18-37-26-11-5-10-23-30(26)24(36)16-17-31(23)39-27-12-3-6-19-7-4-13-28(40-31)29(19)27/h1-17H,18H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Inhibition of thioredoxin reductase				Bioorg Med Chem Lett 11: 2637-41 (2001) BindingDB Entry DOI: 10.7270/Q22R3TTN
					More data for this Ligand-Target Pair
Thioredoxin reductase 3 (Homo sapiens (Human))	BDBM50218865 (CHEMBL328520) Show SMILES C\C=C(/C)COc1cccc2c1C(=O)C=CC21Oc2cccc3cccc(O1)c23 |c:15| Show InChI InChI=1S/C25H20O4/c1-3-16(2)15-27-20-10-6-9-18-24(20)19(26)13-14-25(18)28-21-11-4-7-17-8-5-12-22(29-25)23(17)21/h3-14H,15H2,1-2H3/b16-3+	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Inhibition of thioredoxin-1/thioredoxin reductase system				Bioorg Med Chem Lett 11: 2637-41 (2001) BindingDB Entry DOI: 10.7270/Q22R3TTN
					More data for this Ligand-Target Pair
Thioredoxin reductase 3 (Homo sapiens (Human))	BDBM50218856 (CHEMBL91727) Show SMILES COc1ccc(COc2cccc3c2C(=O)C=CC32Oc3cccc4cccc(O2)c34)cc1 |c:17| Show InChI InChI=1S/C28H20O5/c1-30-20-13-11-18(12-14-20)17-31-23-8-4-7-21-27(23)22(29)15-16-28(21)32-24-9-2-5-19-6-3-10-25(33-28)26(19)24/h2-16H,17H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Inhibition of thioredoxin-1/thioredoxin reductase system				Bioorg Med Chem Lett 11: 2637-41 (2001) BindingDB Entry DOI: 10.7270/Q22R3TTN
					More data for this Ligand-Target Pair
Thioredoxin reductase 3 (Homo sapiens (Human))	BDBM50218863 (CHEMBL86449) Show SMILES Brc1ccc(COc2cccc3c2C(=O)C=CC32Oc3cccc4cccc(O2)c34)cc1 |c:16| Show InChI InChI=1S/C27H17BrO4/c28-19-12-10-17(11-13-19)16-30-22-7-3-6-20-26(22)21(29)14-15-27(20)31-23-8-1-4-18-5-2-9-24(32-27)25(18)23/h1-15H,16H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Inhibition of thioredoxin reductase				Bioorg Med Chem Lett 11: 2637-41 (2001) BindingDB Entry DOI: 10.7270/Q22R3TTN
					More data for this Ligand-Target Pair
Thioredoxin reductase 3 (Homo sapiens (Human))	BDBM50218853 (CHEMBL89858 | SR-10) Show SMILES O=C1C=CC2(Oc3cccc4cccc(O2)c34)c2cccc(OCc3ccoc3)c12 |c:2| Show InChI InChI=1S/C25H16O5/c26-19-10-12-25(29-21-8-1-4-17-5-2-9-22(30-25)23(17)21)18-6-3-7-20(24(18)19)28-15-16-11-13-27-14-16/h1-14H,15H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Inhibition of thioredoxin reductase				Bioorg Med Chem Lett 11: 2637-41 (2001) BindingDB Entry DOI: 10.7270/Q22R3TTN
					More data for this Ligand-Target Pair
Thioredoxin reductase 3 (Homo sapiens (Human))	BDBM50218842 (CHEMBL419314) Show SMILES CC(=C)COc1cccc2c1C(=O)C=CC21Oc2cccc3cccc(O1)c23 |c:14| Show InChI InChI=1S/C24H18O4/c1-15(2)14-26-19-9-5-8-17-23(19)18(25)12-13-24(17)27-20-10-3-6-16-7-4-11-21(28-24)22(16)20/h3-13H,1,14H2,2H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Inhibition of thioredoxin reductase				Bioorg Med Chem Lett 11: 2637-41 (2001) BindingDB Entry DOI: 10.7270/Q22R3TTN
					More data for this Ligand-Target Pair
Thioredoxin reductase 3 (Homo sapiens (Human))	BDBM50218805 (CHEMBL89586) Show SMILES Clc1ccccc1-c1ccc(COc2cccc3c2C(=O)C=CC32Oc3cccc4cccc(O2)c34)o1 |c:23| Show InChI InChI=1S/C31H19ClO5/c32-23-10-2-1-8-21(23)25-15-14-20(35-25)18-34-26-11-5-9-22-30(26)24(33)16-17-31(22)36-27-12-3-6-19-7-4-13-28(37-31)29(19)27/h1-17H,18H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Inhibition of thioredoxin reductase				Bioorg Med Chem Lett 11: 2637-41 (2001) BindingDB Entry DOI: 10.7270/Q22R3TTN
					More data for this Ligand-Target Pair
Thioredoxin reductase 3 (Homo sapiens (Human))	BDBM50218810 (CHEMBL91726) Show SMILES O=C1C=CC2(Oc3cccc4cccc(O2)c34)c2cccc(OCC#C)c12 |c:2| Show InChI InChI=1S/C23H14O4/c1-2-14-25-18-9-5-8-16-22(18)17(24)12-13-23(16)26-19-10-3-6-15-7-4-11-20(27-23)21(15)19/h1,3-13H,14H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Inhibition of thioredoxin reductase				Bioorg Med Chem Lett 11: 2637-41 (2001) BindingDB Entry DOI: 10.7270/Q22R3TTN
					More data for this Ligand-Target Pair
Thioredoxin reductase 3 (Homo sapiens (Human))	BDBM50218851 (CHEMBL88268 | SR-14) Show SMILES C=CCOc1cccc2c1C(=O)C=CC21Oc2cccc3cccc(O1)c23 |c:13| Show InChI InChI=1S/C23H16O4/c1-2-14-25-18-9-5-8-16-22(18)17(24)12-13-23(16)26-19-10-3-6-15-7-4-11-20(27-23)21(15)19/h2-13H,1,14H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Inhibition of thioredoxin reductase				Bioorg Med Chem Lett 11: 2637-41 (2001) BindingDB Entry DOI: 10.7270/Q22R3TTN
					More data for this Ligand-Target Pair
Thioredoxin reductase 3 (Homo sapiens (Human))	BDBM50218846 (CHEMBL329895) Show SMILES Clc1cccc(c1)-c1ccc(COc2cccc3c2C(=O)C=CC32Oc3cccc4cccc(O2)c34)o1 |c:23| Show InChI InChI=1S/C31H19ClO5/c32-21-8-1-7-20(17-21)25-14-13-22(35-25)18-34-26-10-4-9-23-30(26)24(33)15-16-31(23)36-27-11-2-5-19-6-3-12-28(37-31)29(19)27/h1-17H,18H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Inhibition of thioredoxin reductase				Bioorg Med Chem Lett 11: 2637-41 (2001) BindingDB Entry DOI: 10.7270/Q22R3TTN
					More data for this Ligand-Target Pair
Thioredoxin reductase 3 (Homo sapiens (Human))	BDBM50218855 (CHEMBL89080) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1cccc2c1-[#6](=O)-[#6]=[#6]C21[#8]-c2cccc3cccc(-[#8]1)c23 |c:15| Show InChI InChI=1S/C25H20O4/c1-16(2)13-15-27-20-9-5-8-18-24(20)19(26)12-14-25(18)28-21-10-3-6-17-7-4-11-22(29-25)23(17)21/h3-14H,15H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Inhibition of thioredoxin-1/thioredoxin reductase system				Bioorg Med Chem Lett 11: 2637-41 (2001) BindingDB Entry DOI: 10.7270/Q22R3TTN
					More data for this Ligand-Target Pair
Thioredoxin reductase 3 (Homo sapiens (Human))	BDBM50218854 (CHEMBL440697 | SR-13) Show SMILES O=C1C=CC2(Oc3cccc4cccc(O2)c34)c2cccc(OCc3ccncc3)c12 |c:2| Show InChI InChI=1S/C26H17NO4/c28-20-10-13-26(30-22-8-1-4-18-5-2-9-23(31-26)24(18)22)19-6-3-7-21(25(19)20)29-16-17-11-14-27-15-12-17/h1-15H,16H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Inhibition of thioredoxin-1/thioredoxin reductase system				Bioorg Med Chem Lett 11: 2637-41 (2001) BindingDB Entry DOI: 10.7270/Q22R3TTN
					More data for this Ligand-Target Pair
Thioredoxin reductase 3 (Homo sapiens (Human))	BDBM50218852 (CHEMBL423684) Show SMILES O=C1C=CC2(Oc3cccc4cccc(O2)c34)c2cccc(OCc3ccco3)c12 |c:2| Show InChI InChI=1S/C25H16O5/c26-19-12-13-25(29-21-10-1-5-16-6-2-11-22(30-25)23(16)21)18-8-3-9-20(24(18)19)28-15-17-7-4-14-27-17/h1-14H,15H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Inhibition of thioredoxin-1/thioredoxin reductase system				Bioorg Med Chem Lett 11: 2637-41 (2001) BindingDB Entry DOI: 10.7270/Q22R3TTN
					More data for this Ligand-Target Pair
Thioredoxin reductase 3 (Homo sapiens (Human))	BDBM50218850 (CHEMBL312843) Show SMILES FC(F)(F)c1cccc(c1)-c1ccc(COc2cccc3c2C(=O)C=CC32Oc3cccc4cccc(O2)c34)o1 |c:26| Show InChI InChI=1S/C32H19F3O5/c33-32(34,35)21-8-1-7-20(17-21)25-14-13-22(38-25)18-37-26-10-4-9-23-30(26)24(36)15-16-31(23)39-27-11-2-5-19-6-3-12-28(40-31)29(19)27/h1-17H,18H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Inhibition of thioredoxin reductase				Bioorg Med Chem Lett 11: 2637-41 (2001) BindingDB Entry DOI: 10.7270/Q22R3TTN
					More data for this Ligand-Target Pair
Thioredoxin reductase 3 (Homo sapiens (Human))	BDBM50218845 (CHEMBL86881 | SR-12) Show SMILES O=C1C=CC2(Oc3cccc4cccc(O2)c34)c2cccc(OCc3cccnc3)c12 |c:2| Show InChI InChI=1S/C26H17NO4/c28-20-12-13-26(30-22-10-1-6-18-7-2-11-23(31-26)24(18)22)19-8-3-9-21(25(19)20)29-16-17-5-4-14-27-15-17/h1-15H,16H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Inhibition of thioredoxin-1/thioredoxin reductase system				Bioorg Med Chem Lett 11: 2637-41 (2001) BindingDB Entry DOI: 10.7270/Q22R3TTN
					More data for this Ligand-Target Pair
Thioredoxin reductase 3 (Homo sapiens (Human))	BDBM50218846 (CHEMBL329895) Show SMILES Clc1cccc(c1)-c1ccc(COc2cccc3c2C(=O)C=CC32Oc3cccc4cccc(O2)c34)o1 |c:23| Show InChI InChI=1S/C31H19ClO5/c32-21-8-1-7-20(17-21)25-14-13-22(35-25)18-34-26-10-4-9-23-30(26)24(33)15-16-31(23)36-27-11-2-5-19-6-3-12-28(37-31)29(19)27/h1-17H,18H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Inhibition of thioredoxin-1/thioredoxin reductase system				Bioorg Med Chem Lett 11: 2637-41 (2001) BindingDB Entry DOI: 10.7270/Q22R3TTN
					More data for this Ligand-Target Pair
Thioredoxin reductase 3 (Homo sapiens (Human))	BDBM50218845 (CHEMBL86881 | SR-12) Show SMILES O=C1C=CC2(Oc3cccc4cccc(O2)c34)c2cccc(OCc3cccnc3)c12 |c:2| Show InChI InChI=1S/C26H17NO4/c28-20-12-13-26(30-22-10-1-6-18-7-2-11-23(31-26)24(18)22)19-8-3-9-21(25(19)20)29-16-17-5-4-14-27-15-17/h1-15H,16H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Inhibition of thioredoxin reductase				Bioorg Med Chem Lett 11: 2637-41 (2001) BindingDB Entry DOI: 10.7270/Q22R3TTN
					More data for this Ligand-Target Pair
Thioredoxin reductase 3 (Homo sapiens (Human))	BDBM50218844 (CHEMBL313317) Show SMILES COc1cccc2c1C(=O)C=CC21OCCCO1 |c:11| Show InChI InChI=1S/C14H14O4/c1-16-12-5-2-4-10-13(12)11(15)6-7-14(10)17-8-3-9-18-14/h2,4-7H,3,8-9H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Inhibition of thioredoxin reductase				Bioorg Med Chem Lett 11: 2637-41 (2001) BindingDB Entry DOI: 10.7270/Q22R3TTN
					More data for this Ligand-Target Pair
Thioredoxin reductase 3 (Homo sapiens (Human))	BDBM50218803 (CHEMBL316338) Show SMILES Clc1ccc(COc2cccc3c2C(=O)C=CC32Oc3cccc4cccc(O2)c34)cc1 |c:16| Show InChI InChI=1S/C27H17ClO4/c28-19-12-10-17(11-13-19)16-30-22-7-3-6-20-26(22)21(29)14-15-27(20)31-23-8-1-4-18-5-2-9-24(32-27)25(18)23/h1-15H,16H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Inhibition of thioredoxin-1/thioredoxin reductase system				Bioorg Med Chem Lett 11: 2637-41 (2001) BindingDB Entry DOI: 10.7270/Q22R3TTN
					More data for this Ligand-Target Pair
Thioredoxin reductase 3 (Homo sapiens (Human))	BDBM50218813 (CHEMBL88831) Show SMILES FC(F)(F)c1ccccc1-c1ccc(COc2cccc3c2C(=O)C=CC32Oc3cccc4cccc(O2)c34)o1 |c:26| Show InChI InChI=1S/C32H19F3O5/c33-32(34,35)22-9-2-1-8-21(22)25-15-14-20(38-25)18-37-26-11-5-10-23-30(26)24(36)16-17-31(23)39-27-12-3-6-19-7-4-13-28(40-31)29(19)27/h1-17H,18H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Inhibition of thioredoxin-1/thioredoxin reductase system				Bioorg Med Chem Lett 11: 2637-41 (2001) BindingDB Entry DOI: 10.7270/Q22R3TTN
					More data for this Ligand-Target Pair
Thioredoxin reductase 3 (Homo sapiens (Human))	BDBM50218811 (CHEMBL89211) Show SMILES O=C1C=CC2(Oc3cccc4cccc(O2)c34)c2cccc(OCCc3ccccc3)c12 |c:2| Show InChI InChI=1S/C28H20O4/c29-22-15-17-28(31-24-13-4-9-20-10-5-14-25(32-28)26(20)24)21-11-6-12-23(27(21)22)30-18-16-19-7-2-1-3-8-19/h1-15,17H,16,18H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Inhibition of thioredoxin-1/thioredoxin reductase system				Bioorg Med Chem Lett 11: 2637-41 (2001) BindingDB Entry DOI: 10.7270/Q22R3TTN
					More data for this Ligand-Target Pair
Thioredoxin reductase 3 (Homo sapiens (Human))	BDBM50218809 (CHEMBL329397 | SR-11) Show SMILES O=C1C=CC2(Oc3cccc4cccc(O2)c34)c2cccc(OCc3ccccn3)c12 |c:2| Show InChI InChI=1S/C26H17NO4/c28-20-13-14-26(30-22-11-3-6-17-7-4-12-23(31-26)24(17)22)19-9-5-10-21(25(19)20)29-16-18-8-1-2-15-27-18/h1-15H,16H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Inhibition of thioredoxin reductase				Bioorg Med Chem Lett 11: 2637-41 (2001) BindingDB Entry DOI: 10.7270/Q22R3TTN
					More data for this Ligand-Target Pair
Thioredoxin reductase 3 (Homo sapiens (Human))	BDBM50218808 (CHEMBL89726) Show SMILES O=C1C=CC2(Oc3cccc4cccc(O2)c34)c2cccc(OC\C=C\c3ccccc3)c12 |c:2| Show InChI InChI=1S/C29H20O4/c30-23-17-18-29(32-25-15-4-11-21-12-5-16-26(33-29)27(21)25)22-13-6-14-24(28(22)23)31-19-7-10-20-8-2-1-3-9-20/h1-18H,19H2/b10-7+	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Inhibition of thioredoxin-1/thioredoxin reductase system				Bioorg Med Chem Lett 11: 2637-41 (2001) BindingDB Entry DOI: 10.7270/Q22R3TTN
					More data for this Ligand-Target Pair
Thioredoxin reductase 3 (Homo sapiens (Human))	BDBM50218807 (CHEMBL88438) Show SMILES CC\C=C\CCOc1cccc2c1C(=O)C=CC21Oc2cccc3cccc(O1)c23 |c:16| Show InChI InChI=1S/C26H22O4/c1-2-3-4-5-17-28-21-12-8-11-19-25(21)20(27)15-16-26(19)29-22-13-6-9-18-10-7-14-23(30-26)24(18)22/h3-4,6-16H,2,5,17H2,1H3/b4-3+	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Inhibition of thioredoxin-1/thioredoxin reductase system				Bioorg Med Chem Lett 11: 2637-41 (2001) BindingDB Entry DOI: 10.7270/Q22R3TTN
					More data for this Ligand-Target Pair
Thioredoxin reductase 3 (Homo sapiens (Human))	BDBM50218806 (CHEMBL91650) Show SMILES C\C=C(\C)COc1cccc2c1C(=O)C=CC21Oc2cccc3cccc(O1)c23 |c:15| Show InChI InChI=1S/C25H20O4/c1-3-16(2)15-27-20-10-6-9-18-24(20)19(26)13-14-25(18)28-21-11-4-7-17-8-5-12-22(29-25)23(17)21/h3-14H,15H2,1-2H3/b16-3-	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Inhibition of thioredoxin-1/thioredoxin reductase system				Bioorg Med Chem Lett 11: 2637-41 (2001) BindingDB Entry DOI: 10.7270/Q22R3TTN
					More data for this Ligand-Target Pair

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