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Patent code US11028067

Compile Data Set for Download or QSAR
Found 15 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Thioredoxin reductase 1, cytoplasmic


(Homo sapiens (Human))		BDBM501862
PNG
(US11028067, Example 3)
Show SMILES CN(C)c1ccc(c(n1)S(=O)(=O)c1ccccn1)[N+]([O-])=O
Show InChI InChI=1S/C12H12N4O4S/c1-15(2)10-7-6-9(16(17)18)12(14-10)21(19,20)11-5-3-4-8-13-11/h3-8H,1-2H3
PDB

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n/an/a 558n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Thioredoxin reductase 1, cytoplasmic


(Homo sapiens (Human))		BDBM501860
PNG
(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
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n/an/a 5.5n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Glutathione reductase


(Homo sapiens (Human))		BDBM501864
PNG
(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

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US Patent
n/an/a>1.00E+8n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Glutathione reductase


(Homo sapiens (Human))		BDBM501861
PNG
(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

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US Patent
n/an/a 9.89E+3n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Glutathione reductase


(Homo sapiens (Human))		BDBM501863
PNG
(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

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US Patent
n/an/a 1.12E+4n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Thioredoxin reductase 1, cytoplasmic


(Homo sapiens (Human))		BDBM501860
PNG
(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
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n/an/a 26.8n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Glutathione reductase


(Homo sapiens (Human))		BDBM501860
PNG
(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

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US Patent
n/an/a 6.42E+4n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Thioredoxin reductase 1, cytoplasmic


(Homo sapiens (Human))		BDBM501865
PNG
(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

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n/an/a 3.99n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Glutathione reductase


(Homo sapiens (Human))		BDBM501862
PNG
(US11028067, Example 3)
Show SMILES CN(C)c1ccc(c(n1)S(=O)(=O)c1ccccn1)[N+]([O-])=O
Show InChI InChI=1S/C12H12N4O4S/c1-15(2)10-7-6-9(16(17)18)12(14-10)21(19,20)11-5-3-4-8-13-11/h3-8H,1-2H3
PDB

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PC sid
UniChem
US Patent
n/an/a>1.00E+8n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Thioredoxin reductase 1, cytoplasmic


(Homo sapiens (Human))		BDBM501866
PNG
(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
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n/an/a 6.90n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Thioredoxin reductase 1, cytoplasmic


(Homo sapiens (Human))		BDBM501864
PNG
(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

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n/an/a 10.8n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Glutathione reductase


(Homo sapiens (Human))		BDBM501865
PNG
(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

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US Patent
n/an/a>1.00E+8n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Thioredoxin reductase 1, cytoplasmic


(Homo sapiens (Human))		BDBM501861
PNG
(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

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n/an/a 56.9n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Thioredoxin reductase 1, cytoplasmic


(Homo sapiens (Human))		BDBM501863
PNG
(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

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n/an/a 0.854n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Glutathione reductase


(Homo sapiens (Human))		BDBM501866
PNG
(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

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UniChem
US Patent
n/an/a>1.00E+8n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%