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Found 54 hits from Department of Chemistry, University of Pittsburgh, Pittsburgh, PA 15260, USA. pwipf@pitt.edu   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Thioredoxin reductase 3


(Homo sapiens)
BDBM50218814
PNG
(CHEMBL88230)
Show SMILES Oc1cccc2c1C(=O)C=CC21Oc2cccc3cccc(O1)c23
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
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n/an/a 350n/an/an/an/an/an/a



Department of Chemistry, University of Pittsburgh, Pittsburgh, PA 15260, USA. pwipf@pitt.edu

Curated by ChEMBL


Assay Description
Inhibition of thioredoxin-1/thioredoxin reductase system


Bioorg Med Chem Lett 11: 2637-41 (2001)


Article DOI: 10.1016/s0960-894x(01)00525-x
More data for this
Ligand-Target Pair
Thioredoxin reductase 3


(Homo sapiens)
BDBM50218801
PNG
(CHEMBL89232)
Show SMILES O=C1CCCC2=C1C1(Oc3cccc4cccc(O1)c34)C=CC2=O
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
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n/an/a 2.10E+3n/an/an/an/an/an/a



Department of Chemistry, University of Pittsburgh, Pittsburgh, PA 15260, USA. pwipf@pitt.edu

Curated by ChEMBL


Assay Description
Inhibition of thioredoxin-1/thioredoxin reductase system


Bioorg Med Chem Lett 11: 2637-41 (2001)


Article DOI: 10.1016/s0960-894x(01)00525-x
More data for this
Ligand-Target Pair
Thioredoxin reductase 3


(Homo sapiens)
BDBM50218857
PNG
(CHEMBL91078)
Show SMILES Oc1cccc2c1C(=O)C=CC21OCCO1
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
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n/an/a 3.40E+3n/an/an/an/an/an/a



Department of Chemistry, University of Pittsburgh, Pittsburgh, PA 15260, USA. pwipf@pitt.edu

Curated by ChEMBL


Assay Description
Inhibition of thioredoxin-1/thioredoxin reductase system


Bioorg Med Chem Lett 11: 2637-41 (2001)


Article DOI: 10.1016/s0960-894x(01)00525-x
More data for this
Ligand-Target Pair
Thioredoxin reductase 3


(Homo sapiens)
BDBM50218804
PNG
(CHEMBL89475 | SCH-49209)
Show SMILES O[C@H]1C=CC(=O)[C@]23O[C@]12[C@@H](O)[C@H]1O[C@H]1C31Oc2cccc3cccc(O1)c23
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
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n/an/a 4.50E+3n/an/an/an/an/an/a



Department of Chemistry, University of Pittsburgh, Pittsburgh, PA 15260, USA. pwipf@pitt.edu

Curated by ChEMBL


Assay Description
Inhibition of thioredoxin-1/thioredoxin reductase system


Bioorg Med Chem Lett 11: 2637-41 (2001)


Article DOI: 10.1016/s0960-894x(01)00525-x
More data for this
Ligand-Target Pair
Thioredoxin reductase 3


(Homo sapiens)
BDBM50218842
PNG
(CHEMBL419314)
Show SMILES CC(=C)COc1cccc2c1C(=O)C=CC21Oc2cccc3cccc(O1)c23
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
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n/an/a 4.80E+3n/an/an/an/an/an/a



Department of Chemistry, University of Pittsburgh, Pittsburgh, PA 15260, USA. pwipf@pitt.edu

Curated by ChEMBL


Assay Description
Inhibition of thioredoxin-1/thioredoxin reductase system


Bioorg Med Chem Lett 11: 2637-41 (2001)


Article DOI: 10.1016/s0960-894x(01)00525-x
More data for this
Ligand-Target Pair
Thioredoxin reductase 3


(Homo sapiens)
BDBM50218802
PNG
(CHEMBL89366)
Show SMILES O[C@H]1C2C3CC(C=C3)C2[C@@H](O)C2=C1C(=O)C=CC21Oc2cccc3cccc(O1)c23
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
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n/an/a 8.00E+3n/an/an/an/an/an/a



Department of Chemistry, University of Pittsburgh, Pittsburgh, PA 15260, USA. pwipf@pitt.edu

Curated by ChEMBL


Assay Description
Inhibition of thioredoxin-1/thioredoxin reductase system


Bioorg Med Chem Lett 11: 2637-41 (2001)


Article DOI: 10.1016/s0960-894x(01)00525-x
More data for this
Ligand-Target Pair
Thioredoxin reductase 3


(Homo sapiens)
BDBM50218857
PNG
(CHEMBL91078)
Show SMILES Oc1cccc2c1C(=O)C=CC21OCCO1
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
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n/an/a 8.80E+3n/an/an/an/an/an/a



Department of Chemistry, University of Pittsburgh, Pittsburgh, PA 15260, USA. pwipf@pitt.edu

Curated by ChEMBL


Assay Description
Inhibition of thioredoxin reductase


Bioorg Med Chem Lett 11: 2637-41 (2001)


Article DOI: 10.1016/s0960-894x(01)00525-x
More data for this
Ligand-Target Pair
Thioredoxin reductase 3


(Homo sapiens)
BDBM50218798
PNG
(CHEMBL91371)
Show SMILES Brc1ccc(cc1)-c1ccc(COc2cccc3c2C(=O)C=CC32Oc3cccc4cccc(O2)c34)o1
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
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n/an/a 1.02E+4n/an/an/an/an/an/a



Department of Chemistry, University of Pittsburgh, Pittsburgh, PA 15260, USA. pwipf@pitt.edu

Curated by ChEMBL


Assay Description
Inhibition of thioredoxin-1/thioredoxin reductase system


Bioorg Med Chem Lett 11: 2637-41 (2001)


Article DOI: 10.1016/s0960-894x(01)00525-x
More data for this
Ligand-Target Pair
Thioredoxin reductase 3


(Homo sapiens)
BDBM50218814
PNG
(CHEMBL88230)
Show SMILES Oc1cccc2c1C(=O)C=CC21Oc2cccc3cccc(O1)c23
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
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n/an/a 1.20E+4n/an/an/an/an/an/a



Department of Chemistry, University of Pittsburgh, Pittsburgh, PA 15260, USA. pwipf@pitt.edu

Curated by ChEMBL


Assay Description
Inhibition of thioredoxin reductase


Bioorg Med Chem Lett 11: 2637-41 (2001)


Article DOI: 10.1016/s0960-894x(01)00525-x
More data for this
Ligand-Target Pair
Thioredoxin reductase 3


(Homo sapiens)
BDBM50218800
PNG
(CHEMBL90494)
Show SMILES O=C1CCCC2=C1C1(Oc3cccc4cccc(O1)c34)C1OC1C2=O
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
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n/an/a 1.22E+4n/an/an/an/an/an/a



Department of Chemistry, University of Pittsburgh, Pittsburgh, PA 15260, USA. pwipf@pitt.edu

Curated by ChEMBL


Assay Description
Inhibition of thioredoxin-1/thioredoxin reductase system


Bioorg Med Chem Lett 11: 2637-41 (2001)


Article DOI: 10.1016/s0960-894x(01)00525-x
More data for this
Ligand-Target Pair
Thioredoxin reductase 3


(Homo sapiens)
BDBM50218810
PNG
(CHEMBL91726)
Show SMILES O=C1C=CC2(Oc3cccc4cccc(O2)c34)c2cccc(OCC#C)c12
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
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n/an/a 1.34E+4n/an/an/an/an/an/a



Department of Chemistry, University of Pittsburgh, Pittsburgh, PA 15260, USA. pwipf@pitt.edu

Curated by ChEMBL


Assay Description
Inhibition of thioredoxin-1/thioredoxin reductase system


Bioorg Med Chem Lett 11: 2637-41 (2001)


Article DOI: 10.1016/s0960-894x(01)00525-x
More data for this
Ligand-Target Pair
Thioredoxin reductase 3


(Homo sapiens)
BDBM50218804
PNG
(CHEMBL89475 | SCH-49209)
Show SMILES O[C@H]1C=CC(=O)[C@]23O[C@]12[C@@H](O)[C@H]1O[C@H]1C31Oc2cccc3cccc(O1)c23
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
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n/an/a 1.35E+4n/an/an/an/an/an/a



Department of Chemistry, University of Pittsburgh, Pittsburgh, PA 15260, USA. pwipf@pitt.edu

Curated by ChEMBL


Assay Description
Inhibition of thioredoxin reductase


Bioorg Med Chem Lett 11: 2637-41 (2001)


Article DOI: 10.1016/s0960-894x(01)00525-x
More data for this
Ligand-Target Pair
Thioredoxin reductase 3


(Homo sapiens)
BDBM50218862
PNG
(CHEMBL90563)
Show SMILES O=C1CCC[C@]23O[C@]12C1(Oc2cccc4cccc(O1)c24)[C@H]1O[C@H]1C3=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
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n/an/a 1.35E+4n/an/an/an/an/an/a



Department of Chemistry, University of Pittsburgh, Pittsburgh, PA 15260, USA. pwipf@pitt.edu

Curated by ChEMBL


Assay Description
Inhibition of thioredoxin-1/thioredoxin reductase system


Bioorg Med Chem Lett 11: 2637-41 (2001)


Article DOI: 10.1016/s0960-894x(01)00525-x
More data for this
Ligand-Target Pair
Thioredoxin reductase 3


(Homo sapiens)
BDBM50218798
PNG
(CHEMBL91371)
Show SMILES Brc1ccc(cc1)-c1ccc(COc2cccc3c2C(=O)C=CC32Oc3cccc4cccc(O2)c34)o1
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
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n/an/a 2.01E+4n/an/an/an/an/an/a



Department of Chemistry, University of Pittsburgh, Pittsburgh, PA 15260, USA. pwipf@pitt.edu

Curated by ChEMBL


Assay Description
Inhibition of thioredoxin reductase


Bioorg Med Chem Lett 11: 2637-41 (2001)


Article DOI: 10.1016/s0960-894x(01)00525-x
More data for this
Ligand-Target Pair
Thioredoxin reductase 3


(Homo sapiens)
BDBM50218851
PNG
(CHEMBL88268 | SR-14)
Show SMILES C=CCOc1cccc2c1C(=O)C=CC21Oc2cccc3cccc(O1)c23
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
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n/an/a 2.32E+4n/an/an/an/an/an/a



Department of Chemistry, University of Pittsburgh, Pittsburgh, PA 15260, USA. pwipf@pitt.edu

Curated by ChEMBL


Assay Description
Inhibition of thioredoxin-1/thioredoxin reductase system


Bioorg Med Chem Lett 11: 2637-41 (2001)


Article DOI: 10.1016/s0960-894x(01)00525-x
More data for this
Ligand-Target Pair
Thioredoxin reductase 3


(Homo sapiens)
BDBM50218853
PNG
(CHEMBL89858 | SR-10)
Show SMILES O=C1C=CC2(Oc3cccc4cccc(O2)c34)c2cccc(OCc3ccoc3)c12
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
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n/an/a 2.32E+4n/an/an/an/an/an/a



Department of Chemistry, University of Pittsburgh, Pittsburgh, PA 15260, USA. pwipf@pitt.edu

Curated by ChEMBL


Assay Description
Inhibition of thioredoxin-1/thioredoxin reductase system


Bioorg Med Chem Lett 11: 2637-41 (2001)


Article DOI: 10.1016/s0960-894x(01)00525-x
More data for this
Ligand-Target Pair
Thioredoxin reductase 3


(Homo sapiens)
BDBM50218844
PNG
(CHEMBL313317)
Show SMILES COc1cccc2c1C(=O)C=CC21OCCCO1
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
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n/an/a 4.02E+4n/an/an/an/an/an/a



Department of Chemistry, University of Pittsburgh, Pittsburgh, PA 15260, USA. pwipf@pitt.edu

Curated by ChEMBL


Assay Description
Inhibition of thioredoxin-1/thioredoxin reductase system


Bioorg Med Chem Lett 11: 2637-41 (2001)


Article DOI: 10.1016/s0960-894x(01)00525-x
More data for this
Ligand-Target Pair
Thioredoxin reductase 3


(Homo sapiens)
BDBM50218809
PNG
(CHEMBL329397 | SR-11)
Show SMILES O=C1C=CC2(Oc3cccc4cccc(O2)c34)c2cccc(OCc3ccccn3)c12
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
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n/an/a 4.18E+4n/an/an/an/an/an/a



Department of Chemistry, University of Pittsburgh, Pittsburgh, PA 15260, USA. pwipf@pitt.edu

Curated by ChEMBL


Assay Description
Inhibition of thioredoxin-1/thioredoxin reductase system


Bioorg Med Chem Lett 11: 2637-41 (2001)


Article DOI: 10.1016/s0960-894x(01)00525-x
More data for this
Ligand-Target Pair
Thioredoxin reductase 3


(Homo sapiens)
BDBM50218850
PNG
(CHEMBL312843)
Show SMILES FC(F)(F)c1cccc(c1)-c1ccc(COc2cccc3c2C(=O)C=CC32Oc3cccc4cccc(O2)c34)o1
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
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n/an/a 4.24E+4n/an/an/an/an/an/a



Department of Chemistry, University of Pittsburgh, Pittsburgh, PA 15260, USA. pwipf@pitt.edu

Curated by ChEMBL


Assay Description
Inhibition of thioredoxin-1/thioredoxin reductase system


Bioorg Med Chem Lett 11: 2637-41 (2001)


Article DOI: 10.1016/s0960-894x(01)00525-x
More data for this
Ligand-Target Pair
Thioredoxin reductase 3


(Homo sapiens)
BDBM50218858
PNG
(CHEMBL433412)
Show SMILES O=C1CCCC23OC12C1(Oc2cccc4cccc(O1)c24)C=CC3=O
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
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n/an/a 4.40E+4n/an/an/an/an/an/a



Department of Chemistry, University of Pittsburgh, Pittsburgh, PA 15260, USA. pwipf@pitt.edu

Curated by ChEMBL


Assay Description
Inhibition of thioredoxin-1/thioredoxin reductase system


Bioorg Med Chem Lett 11: 2637-41 (2001)


Article DOI: 10.1016/s0960-894x(01)00525-x
More data for this
Ligand-Target Pair
Thioredoxin reductase 3


(Homo sapiens)
BDBM50218856
PNG
(CHEMBL91727)
Show SMILES COc1ccc(COc2cccc3c2C(=O)C=CC32Oc3cccc4cccc(O2)c34)cc1
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
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n/an/a>5.00E+4n/an/an/an/an/an/a



Department of Chemistry, University of Pittsburgh, Pittsburgh, PA 15260, USA. pwipf@pitt.edu

Curated by ChEMBL


Assay Description
Inhibition of thioredoxin reductase


Bioorg Med Chem Lett 11: 2637-41 (2001)


Article DOI: 10.1016/s0960-894x(01)00525-x
More data for this
Ligand-Target Pair
Thioredoxin reductase 3


(Homo sapiens)
BDBM50218860
PNG
(CHEMBL439585)
Show SMILES O=C1CCC[C@@]23O[C@@]12C1(Oc2cccc4cccc(O1)c24)[C@H]1O[C@H]1C3=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
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n/an/a>5.00E+4n/an/an/an/an/an/a



Department of Chemistry, University of Pittsburgh, Pittsburgh, PA 15260, USA. pwipf@pitt.edu

Curated by ChEMBL


Assay Description
Inhibition of thioredoxin-1/thioredoxin reductase system


Bioorg Med Chem Lett 11: 2637-41 (2001)


Article DOI: 10.1016/s0960-894x(01)00525-x
More data for this
Ligand-Target Pair
Thioredoxin reductase 3


(Homo sapiens)
BDBM50218863
PNG
(CHEMBL86449)
Show SMILES Brc1ccc(COc2cccc3c2C(=O)C=CC32Oc3cccc4cccc(O2)c34)cc1
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
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n/an/a>5.00E+4n/an/an/an/an/an/a



Department of Chemistry, University of Pittsburgh, Pittsburgh, PA 15260, USA. pwipf@pitt.edu

Curated by ChEMBL


Assay Description
Inhibition of thioredoxin-1/thioredoxin reductase system


Bioorg Med Chem Lett 11: 2637-41 (2001)


Article DOI: 10.1016/s0960-894x(01)00525-x
More data for this
Ligand-Target Pair
Thioredoxin reductase 3


(Homo sapiens)
BDBM50218854
PNG
(CHEMBL440697 | SR-13)
Show SMILES O=C1C=CC2(Oc3cccc4cccc(O2)c34)c2cccc(OCc3ccncc3)c12
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
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n/an/a>5.00E+4n/an/an/an/an/an/a



Department of Chemistry, University of Pittsburgh, Pittsburgh, PA 15260, USA. pwipf@pitt.edu

Curated by ChEMBL


Assay Description
Inhibition of thioredoxin reductase


Bioorg Med Chem Lett 11: 2637-41 (2001)


Article DOI: 10.1016/s0960-894x(01)00525-x
More data for this
Ligand-Target Pair
Thioredoxin reductase 3


(Homo sapiens)
BDBM50218864
PNG
(CHEMBL88947)
Show SMILES COc1cccc(COc2cccc3c2C(=O)C=CC32Oc3cccc4cccc(O2)c34)c1
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
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n/an/a>5.00E+4n/an/an/an/an/an/a



Department of Chemistry, University of Pittsburgh, Pittsburgh, PA 15260, USA. pwipf@pitt.edu

Curated by ChEMBL


Assay Description
Inhibition of thioredoxin-1/thioredoxin reductase system


Bioorg Med Chem Lett 11: 2637-41 (2001)


Article DOI: 10.1016/s0960-894x(01)00525-x
More data for this
Ligand-Target Pair
Thioredoxin reductase 3


(Homo sapiens)
BDBM50218813
PNG
(CHEMBL88831)
Show SMILES FC(F)(F)c1ccccc1-c1ccc(COc2cccc3c2C(=O)C=CC32Oc3cccc4cccc(O2)c34)o1
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
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n/an/a>5.00E+4n/an/an/an/an/an/a



Department of Chemistry, University of Pittsburgh, Pittsburgh, PA 15260, USA. pwipf@pitt.edu

Curated by ChEMBL


Assay Description
Inhibition of thioredoxin reductase


Bioorg Med Chem Lett 11: 2637-41 (2001)


Article DOI: 10.1016/s0960-894x(01)00525-x
More data for this
Ligand-Target Pair
Thioredoxin reductase 3


(Homo sapiens)
BDBM50218865
PNG
(CHEMBL328520)
Show SMILES C\C=C(/C)COc1cccc2c1C(=O)C=CC21Oc2cccc3cccc(O1)c23
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+
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Department of Chemistry, University of Pittsburgh, Pittsburgh, PA 15260, USA. pwipf@pitt.edu

Curated by ChEMBL


Assay Description
Inhibition of thioredoxin-1/thioredoxin reductase system


Bioorg Med Chem Lett 11: 2637-41 (2001)


Article DOI: 10.1016/s0960-894x(01)00525-x
More data for this
Ligand-Target Pair
Thioredoxin reductase 3


(Homo sapiens)
BDBM50218856
PNG
(CHEMBL91727)
Show SMILES COc1ccc(COc2cccc3c2C(=O)C=CC32Oc3cccc4cccc(O2)c34)cc1
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
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n/an/a>5.00E+4n/an/an/an/an/an/a



Department of Chemistry, University of Pittsburgh, Pittsburgh, PA 15260, USA. pwipf@pitt.edu

Curated by ChEMBL


Assay Description
Inhibition of thioredoxin-1/thioredoxin reductase system


Bioorg Med Chem Lett 11: 2637-41 (2001)


Article DOI: 10.1016/s0960-894x(01)00525-x
More data for this
Ligand-Target Pair
Thioredoxin reductase 3


(Homo sapiens)
BDBM50218863
PNG
(CHEMBL86449)
Show SMILES Brc1ccc(COc2cccc3c2C(=O)C=CC32Oc3cccc4cccc(O2)c34)cc1
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
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n/an/a>5.00E+4n/an/an/an/an/an/a



Department of Chemistry, University of Pittsburgh, Pittsburgh, PA 15260, USA. pwipf@pitt.edu

Curated by ChEMBL


Assay Description
Inhibition of thioredoxin reductase


Bioorg Med Chem Lett 11: 2637-41 (2001)


Article DOI: 10.1016/s0960-894x(01)00525-x
More data for this
Ligand-Target Pair
Thioredoxin reductase 3


(Homo sapiens)
BDBM50218853
PNG
(CHEMBL89858 | SR-10)
Show SMILES O=C1C=CC2(Oc3cccc4cccc(O2)c34)c2cccc(OCc3ccoc3)c12
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
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n/an/a>5.00E+4n/an/an/an/an/an/a



Department of Chemistry, University of Pittsburgh, Pittsburgh, PA 15260, USA. pwipf@pitt.edu

Curated by ChEMBL


Assay Description
Inhibition of thioredoxin reductase


Bioorg Med Chem Lett 11: 2637-41 (2001)


Article DOI: 10.1016/s0960-894x(01)00525-x
More data for this
Ligand-Target Pair
Thioredoxin reductase 3


(Homo sapiens)
BDBM50218842
PNG
(CHEMBL419314)
Show SMILES CC(=C)COc1cccc2c1C(=O)C=CC21Oc2cccc3cccc(O1)c23
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
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n/an/a>5.00E+4n/an/an/an/an/an/a



Department of Chemistry, University of Pittsburgh, Pittsburgh, PA 15260, USA. pwipf@pitt.edu

Curated by ChEMBL


Assay Description
Inhibition of thioredoxin reductase


Bioorg Med Chem Lett 11: 2637-41 (2001)


Article DOI: 10.1016/s0960-894x(01)00525-x
More data for this
Ligand-Target Pair
Thioredoxin reductase 3


(Homo sapiens)
BDBM50218805
PNG
(CHEMBL89586)
Show SMILES Clc1ccccc1-c1ccc(COc2cccc3c2C(=O)C=CC32Oc3cccc4cccc(O2)c34)o1
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
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n/an/a>5.00E+4n/an/an/an/an/an/a



Department of Chemistry, University of Pittsburgh, Pittsburgh, PA 15260, USA. pwipf@pitt.edu

Curated by ChEMBL


Assay Description
Inhibition of thioredoxin reductase


Bioorg Med Chem Lett 11: 2637-41 (2001)


Article DOI: 10.1016/s0960-894x(01)00525-x
More data for this
Ligand-Target Pair
Thioredoxin reductase 3


(Homo sapiens)
BDBM50218810
PNG
(CHEMBL91726)
Show SMILES O=C1C=CC2(Oc3cccc4cccc(O2)c34)c2cccc(OCC#C)c12
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
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n/an/a 5.00E+4n/an/an/an/an/an/a



Department of Chemistry, University of Pittsburgh, Pittsburgh, PA 15260, USA. pwipf@pitt.edu

Curated by ChEMBL


Assay Description
Inhibition of thioredoxin reductase


Bioorg Med Chem Lett 11: 2637-41 (2001)


Article DOI: 10.1016/s0960-894x(01)00525-x
More data for this
Ligand-Target Pair
Thioredoxin reductase 3


(Homo sapiens)
BDBM50218851
PNG
(CHEMBL88268 | SR-14)
Show SMILES C=CCOc1cccc2c1C(=O)C=CC21Oc2cccc3cccc(O1)c23
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
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n/an/a>5.00E+4n/an/an/an/an/an/a



Department of Chemistry, University of Pittsburgh, Pittsburgh, PA 15260, USA. pwipf@pitt.edu

Curated by ChEMBL


Assay Description
Inhibition of thioredoxin reductase


Bioorg Med Chem Lett 11: 2637-41 (2001)


Article DOI: 10.1016/s0960-894x(01)00525-x
More data for this
Ligand-Target Pair
Thioredoxin reductase 3


(Homo sapiens)
BDBM50218846
PNG
(CHEMBL329895)
Show SMILES Clc1cccc(c1)-c1ccc(COc2cccc3c2C(=O)C=CC32Oc3cccc4cccc(O2)c34)o1
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
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n/an/a>5.00E+4n/an/an/an/an/an/a



Department of Chemistry, University of Pittsburgh, Pittsburgh, PA 15260, USA. pwipf@pitt.edu

Curated by ChEMBL


Assay Description
Inhibition of thioredoxin reductase


Bioorg Med Chem Lett 11: 2637-41 (2001)


Article DOI: 10.1016/s0960-894x(01)00525-x
More data for this
Ligand-Target Pair
Thioredoxin reductase 3


(Homo sapiens)
BDBM50218855
PNG
(CHEMBL89080)
Show SMILES CC(C)=CCOc1cccc2c1C(=O)C=CC21Oc2cccc3cccc(O1)c23
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
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n/an/a>5.00E+4n/an/an/an/an/an/a



Department of Chemistry, University of Pittsburgh, Pittsburgh, PA 15260, USA. pwipf@pitt.edu

Curated by ChEMBL


Assay Description
Inhibition of thioredoxin-1/thioredoxin reductase system


Bioorg Med Chem Lett 11: 2637-41 (2001)


Article DOI: 10.1016/s0960-894x(01)00525-x
More data for this
Ligand-Target Pair
Thioredoxin reductase 3


(Homo sapiens)
BDBM50218854
PNG
(CHEMBL440697 | SR-13)
Show SMILES O=C1C=CC2(Oc3cccc4cccc(O2)c34)c2cccc(OCc3ccncc3)c12
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
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n/an/a>5.00E+4n/an/an/an/an/an/a



Department of Chemistry, University of Pittsburgh, Pittsburgh, PA 15260, USA. pwipf@pitt.edu

Curated by ChEMBL


Assay Description
Inhibition of thioredoxin-1/thioredoxin reductase system


Bioorg Med Chem Lett 11: 2637-41 (2001)


Article DOI: 10.1016/s0960-894x(01)00525-x
More data for this
Ligand-Target Pair
Thioredoxin reductase 3


(Homo sapiens)
BDBM50218852
PNG
(CHEMBL423684)
Show SMILES O=C1C=CC2(Oc3cccc4cccc(O2)c34)c2cccc(OCc3ccco3)c12
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
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n/an/a>5.00E+4n/an/an/an/an/an/a



Department of Chemistry, University of Pittsburgh, Pittsburgh, PA 15260, USA. pwipf@pitt.edu

Curated by ChEMBL


Assay Description
Inhibition of thioredoxin-1/thioredoxin reductase system


Bioorg Med Chem Lett 11: 2637-41 (2001)


Article DOI: 10.1016/s0960-894x(01)00525-x
More data for this
Ligand-Target Pair
Thioredoxin reductase 3


(Homo sapiens)
BDBM50218850
PNG
(CHEMBL312843)
Show SMILES FC(F)(F)c1cccc(c1)-c1ccc(COc2cccc3c2C(=O)C=CC32Oc3cccc4cccc(O2)c34)o1
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
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n/an/a>5.00E+4n/an/an/an/an/an/a



Department of Chemistry, University of Pittsburgh, Pittsburgh, PA 15260, USA. pwipf@pitt.edu

Curated by ChEMBL


Assay Description
Inhibition of thioredoxin reductase


Bioorg Med Chem Lett 11: 2637-41 (2001)


Article DOI: 10.1016/s0960-894x(01)00525-x
More data for this
Ligand-Target Pair
Thioredoxin reductase 3


(Homo sapiens)
BDBM50218845
PNG
(CHEMBL86881 | SR-12)
Show SMILES O=C1C=CC2(Oc3cccc4cccc(O2)c34)c2cccc(OCc3cccnc3)c12
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
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n/an/a>5.00E+4n/an/an/an/an/an/a



Department of Chemistry, University of Pittsburgh, Pittsburgh, PA 15260, USA. pwipf@pitt.edu

Curated by ChEMBL


Assay Description
Inhibition of thioredoxin-1/thioredoxin reductase system


Bioorg Med Chem Lett 11: 2637-41 (2001)


Article DOI: 10.1016/s0960-894x(01)00525-x
More data for this
Ligand-Target Pair
Thioredoxin reductase 3


(Homo sapiens)
BDBM50218846
PNG
(CHEMBL329895)
Show SMILES Clc1cccc(c1)-c1ccc(COc2cccc3c2C(=O)C=CC32Oc3cccc4cccc(O2)c34)o1
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
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n/an/a>5.00E+4n/an/an/an/an/an/a



Department of Chemistry, University of Pittsburgh, Pittsburgh, PA 15260, USA. pwipf@pitt.edu

Curated by ChEMBL


Assay Description
Inhibition of thioredoxin-1/thioredoxin reductase system


Bioorg Med Chem Lett 11: 2637-41 (2001)


Article DOI: 10.1016/s0960-894x(01)00525-x
More data for this
Ligand-Target Pair
Thioredoxin reductase 3


(Homo sapiens)
BDBM50218845
PNG
(CHEMBL86881 | SR-12)
Show SMILES O=C1C=CC2(Oc3cccc4cccc(O2)c34)c2cccc(OCc3cccnc3)c12
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
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n/an/a>5.00E+4n/an/an/an/an/an/a



Department of Chemistry, University of Pittsburgh, Pittsburgh, PA 15260, USA. pwipf@pitt.edu

Curated by ChEMBL


Assay Description
Inhibition of thioredoxin reductase


Bioorg Med Chem Lett 11: 2637-41 (2001)


Article DOI: 10.1016/s0960-894x(01)00525-x
More data for this
Ligand-Target Pair
Thioredoxin reductase 3


(Homo sapiens)
BDBM50218844
PNG
(CHEMBL313317)
Show SMILES COc1cccc2c1C(=O)C=CC21OCCCO1
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
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n/an/a 5.00E+4n/an/an/an/an/an/a



Department of Chemistry, University of Pittsburgh, Pittsburgh, PA 15260, USA. pwipf@pitt.edu

Curated by ChEMBL


Assay Description
Inhibition of thioredoxin reductase


Bioorg Med Chem Lett 11: 2637-41 (2001)


Article DOI: 10.1016/s0960-894x(01)00525-x
More data for this
Ligand-Target Pair
Thioredoxin reductase 3


(Homo sapiens)
BDBM50218803
PNG
(CHEMBL316338)
Show SMILES Clc1ccc(COc2cccc3c2C(=O)C=CC32Oc3cccc4cccc(O2)c34)cc1
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
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n/an/a>5.00E+4n/an/an/an/an/an/a



Department of Chemistry, University of Pittsburgh, Pittsburgh, PA 15260, USA. pwipf@pitt.edu

Curated by ChEMBL


Assay Description
Inhibition of thioredoxin-1/thioredoxin reductase system


Bioorg Med Chem Lett 11: 2637-41 (2001)


Article DOI: 10.1016/s0960-894x(01)00525-x
More data for this
Ligand-Target Pair
Thioredoxin reductase 3


(Homo sapiens)
BDBM50218813
PNG
(CHEMBL88831)
Show SMILES FC(F)(F)c1ccccc1-c1ccc(COc2cccc3c2C(=O)C=CC32Oc3cccc4cccc(O2)c34)o1
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
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n/an/a>5.00E+4n/an/an/an/an/an/a



Department of Chemistry, University of Pittsburgh, Pittsburgh, PA 15260, USA. pwipf@pitt.edu

Curated by ChEMBL


Assay Description
Inhibition of thioredoxin-1/thioredoxin reductase system


Bioorg Med Chem Lett 11: 2637-41 (2001)


Article DOI: 10.1016/s0960-894x(01)00525-x
More data for this
Ligand-Target Pair
Thioredoxin reductase 3


(Homo sapiens)
BDBM50218811
PNG
(CHEMBL89211)
Show SMILES O=C1C=CC2(Oc3cccc4cccc(O2)c34)c2cccc(OCCc3ccccc3)c12
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
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n/an/a>5.00E+4n/an/an/an/an/an/a



Department of Chemistry, University of Pittsburgh, Pittsburgh, PA 15260, USA. pwipf@pitt.edu

Curated by ChEMBL


Assay Description
Inhibition of thioredoxin-1/thioredoxin reductase system


Bioorg Med Chem Lett 11: 2637-41 (2001)


Article DOI: 10.1016/s0960-894x(01)00525-x
More data for this
Ligand-Target Pair
Thioredoxin reductase 3


(Homo sapiens)
BDBM50218809
PNG
(CHEMBL329397 | SR-11)
Show SMILES O=C1C=CC2(Oc3cccc4cccc(O2)c34)c2cccc(OCc3ccccn3)c12
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
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n/an/a>5.00E+4n/an/an/an/an/an/a



Department of Chemistry, University of Pittsburgh, Pittsburgh, PA 15260, USA. pwipf@pitt.edu

Curated by ChEMBL


Assay Description
Inhibition of thioredoxin reductase


Bioorg Med Chem Lett 11: 2637-41 (2001)


Article DOI: 10.1016/s0960-894x(01)00525-x
More data for this
Ligand-Target Pair
Thioredoxin reductase 3


(Homo sapiens)
BDBM50218808
PNG
(CHEMBL89726)
Show SMILES O=C1C=CC2(Oc3cccc4cccc(O2)c34)c2cccc(OC\C=C\c3ccccc3)c12
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+
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n/an/a>5.00E+4n/an/an/an/an/an/a



Department of Chemistry, University of Pittsburgh, Pittsburgh, PA 15260, USA. pwipf@pitt.edu

Curated by ChEMBL


Assay Description
Inhibition of thioredoxin-1/thioredoxin reductase system


Bioorg Med Chem Lett 11: 2637-41 (2001)


Article DOI: 10.1016/s0960-894x(01)00525-x
More data for this
Ligand-Target Pair
Thioredoxin reductase 3


(Homo sapiens)
BDBM50218807
PNG
(CHEMBL88438)
Show SMILES CC\C=C\CCOc1cccc2c1C(=O)C=CC21Oc2cccc3cccc(O1)c23
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+
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n/an/a>5.00E+4n/an/an/an/an/an/a



Department of Chemistry, University of Pittsburgh, Pittsburgh, PA 15260, USA. pwipf@pitt.edu

Curated by ChEMBL


Assay Description
Inhibition of thioredoxin-1/thioredoxin reductase system


Bioorg Med Chem Lett 11: 2637-41 (2001)


Article DOI: 10.1016/s0960-894x(01)00525-x
More data for this
Ligand-Target Pair
Thioredoxin reductase 3


(Homo sapiens)
BDBM50218806
PNG
(CHEMBL91650)
Show SMILES C\C=C(\C)COc1cccc2c1C(=O)C=CC21Oc2cccc3cccc(O1)c23
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-
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n/an/a>5.00E+4n/an/an/an/an/an/a



Department of Chemistry, University of Pittsburgh, Pittsburgh, PA 15260, USA. pwipf@pitt.edu

Curated by ChEMBL


Assay Description
Inhibition of thioredoxin-1/thioredoxin reductase system


Bioorg Med Chem Lett 11: 2637-41 (2001)


Article DOI: 10.1016/s0960-894x(01)00525-x
More data for this
Ligand-Target Pair
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