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Patent code US10513499

Compile Data Set for Download or QSAR
Found 22 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/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
2-amino-3-carboxymuconate-6-semialdehyde decarboxylase


(Homo sapiens (Human))		BDBM261606
PNG
(US10513499, Compound 17 | US11254644, Compound 17 ...)
Show SMILES O=c1[nH]c(SCc2cccc(c2)-c2nn[nH]n2)nc(-c2cccs2)c1C#N
Show InChI InChI=1S/C17H11N7OS2/c18-8-12-14(13-5-2-6-26-13)19-17(20-16(12)25)27-9-10-3-1-4-11(7-10)15-21-23-24-22-15/h1-7H,9H2,(H,19,20,25)(H,21,22,23,24)
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TES Pharma S.r.l.

US Patent


Assay Description
The pre-assay mixture consisting of 3-hydroxyanthranilic acid (30H-HA), 3-hydroxyanthranilic acid, 3,4-diOxygenase (HAO), and a dialyzed crude extrac...

US Patent US10513499 (2019)


BindingDB Entry DOI: 10.7270/Q2H41TTQ
More data for this
Ligand-Target Pair
2-amino-3-carboxymuconate-6-semialdehyde decarboxylase


(Homo sapiens (Human))		BDBM261607
PNG
(US10513499, Compound 18 | US11254644, Compound 18 ...)
Show SMILES OC(=O)Cc1cccc(CSc2nc(-c3cccs3)c(C#N)c(=O)[nH]2)c1
Show InChI InChI=1S/C18H13N3O3S2/c19-9-13-16(14-5-2-6-25-14)20-18(21-17(13)24)26-10-12-4-1-3-11(7-12)8-15(22)23/h1-7H,8,10H2,(H,22,23)(H,20,21,24)
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TES Pharma S.r.l.

US Patent


Assay Description
The pre-assay mixture consisting of 3-hydroxyanthranilic acid (30H-HA), 3-hydroxyanthranilic acid, 3,4-diOxygenase (HAO), and a dialyzed crude extrac...

US Patent US10513499 (2019)


BindingDB Entry DOI: 10.7270/Q2H41TTQ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
2-amino-3-carboxymuconate-6-semialdehyde decarboxylase


(Homo sapiens (Human))		BDBM261521
PNG
(US10513499, Compound 4 | US11254644, Compound 4 | ...)
Show SMILES OC(=O)c1cccc(CSc2nc(-c3cccs3)c(C#N)c(=O)[nH]2)c1
Show InChI InChI=1S/C17H11N3O3S2/c18-8-12-14(13-5-2-6-24-13)19-17(20-15(12)21)25-9-10-3-1-4-11(7-10)16(22)23/h1-7H,9H2,(H,22,23)(H,19,20,21)
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TES Pharma S.r.l.

US Patent


Assay Description
The pre-assay mixture consisting of 3-hydroxyanthranilic acid (30H-HA), 3-hydroxyanthranilic acid, 3,4-diOxygenase (HAO), and a dialyzed crude extrac...

US Patent US10513499 (2019)


BindingDB Entry DOI: 10.7270/Q2H41TTQ
More data for this
Ligand-Target Pair
2-amino-3-carboxymuconate-6-semialdehyde decarboxylase


(Homo sapiens (Human))		BDBM261608
PNG
(US10513499, Compound 19 | US11254644, Compound 19 ...)
Show SMILES O=c1[nH]c(no1)-c1cccc(CSc2nc(-c3cccs3)c(C#N)c(=O)[nH]2)c1
Show InChI InChI=1S/C18H11N5O3S2/c19-8-12-14(13-5-2-6-27-13)20-17(22-16(12)24)28-9-10-3-1-4-11(7-10)15-21-18(25)26-23-15/h1-7H,9H2,(H,20,22,24)(H,21,23,25)
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TES Pharma S.r.l.

US Patent


Assay Description
The pre-assay mixture consisting of 3-hydroxyanthranilic acid (30H-HA), 3-hydroxyanthranilic acid, 3,4-diOxygenase (HAO), and a dialyzed crude extrac...

US Patent US10513499 (2019)


BindingDB Entry DOI: 10.7270/Q2H41TTQ
More data for this
Ligand-Target Pair
2-amino-3-carboxymuconate-6-semialdehyde decarboxylase


(Homo sapiens (Human))		BDBM261516
PNG
(US10513499, Compound 3 | US11254644, Compound 3 | ...)
Show SMILES OC(=O)c1cccc(CSc2nc(-c3ccsc3)c(C#N)c(=O)[nH]2)c1
Show InChI InChI=1S/C17H11N3O3S2/c18-7-13-14(12-4-5-24-9-12)19-17(20-15(13)21)25-8-10-2-1-3-11(6-10)16(22)23/h1-6,9H,8H2,(H,22,23)(H,19,20,21)
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TES Pharma S.r.l.

US Patent


Assay Description
The pre-assay mixture consisting of 3-hydroxyanthranilic acid (30H-HA), 3-hydroxyanthranilic acid, 3,4-diOxygenase (HAO), and a dialyzed crude extrac...

US Patent US10513499 (2019)


BindingDB Entry DOI: 10.7270/Q2H41TTQ
More data for this
Ligand-Target Pair
2-amino-3-carboxymuconate-6-semialdehyde decarboxylase


(Homo sapiens (Human))		BDBM261530
PNG
(US10513499, Compound 5 | US11254644, Compound 5 | ...)
Show SMILES OC(=O)c1cccc(CSc2nc(-c3nccs3)c(C#N)c(=O)[nH]2)c1
Show InChI InChI=1S/C16H10N4O3S2/c17-7-11-12(14-18-4-5-24-14)19-16(20-13(11)21)25-8-9-2-1-3-10(6-9)15(22)23/h1-6H,8H2,(H,22,23)(H,19,20,21)
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TES Pharma S.r.l.

US Patent


Assay Description
The pre-assay mixture consisting of 3-hydroxyanthranilic acid (30H-HA), 3-hydroxyanthranilic acid, 3,4-diOxygenase (HAO), and a dialyzed crude extrac...

US Patent US10513499 (2019)


BindingDB Entry DOI: 10.7270/Q2H41TTQ
More data for this
Ligand-Target Pair
2-amino-3-carboxymuconate-6-semialdehyde decarboxylase


(Homo sapiens (Human))		BDBM261511
PNG
(US10513499, Compound 1 | US11254644, Compound 1 | ...)
Show SMILES OC(=O)c1cccc(CSc2nc(-c3ccccc3)c(C#N)c(=O)[nH]2)c1
Show InChI InChI=1S/C19H13N3O3S/c20-10-15-16(13-6-2-1-3-7-13)21-19(22-17(15)23)26-11-12-5-4-8-14(9-12)18(24)25/h1-9H,11H2,(H,24,25)(H,21,22,23)
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TES Pharma S.r.l.

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Assay Description
The pre-assay mixture consisting of 3-hydroxyanthranilic acid (30H-HA), 3-hydroxyanthranilic acid, 3,4-diOxygenase (HAO), and a dialyzed crude extrac...

US Patent US10513499 (2019)


BindingDB Entry DOI: 10.7270/Q2H41TTQ
More data for this
Ligand-Target Pair
2-amino-3-carboxymuconate-6-semialdehyde decarboxylase


(Homo sapiens (Human))		BDBM261513
PNG
(US10513499, Compound 2 | US11254644, Compound 2 | ...)
Show SMILES OC(=O)c1cccc(CSc2nc(-c3ccco3)c(C#N)c(=O)[nH]2)c1
Show InChI InChI=1S/C17H11N3O4S/c18-8-12-14(13-5-2-6-24-13)19-17(20-15(12)21)25-9-10-3-1-4-11(7-10)16(22)23/h1-7H,9H2,(H,22,23)(H,19,20,21)
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TES Pharma S.r.l.

US Patent


Assay Description
The pre-assay mixture consisting of 3-hydroxyanthranilic acid (30H-HA), 3-hydroxyanthranilic acid, 3,4-diOxygenase (HAO), and a dialyzed crude extrac...

US Patent US10513499 (2019)


BindingDB Entry DOI: 10.7270/Q2H41TTQ
More data for this
Ligand-Target Pair
2-amino-3-carboxymuconate-6-semialdehyde decarboxylase


(Homo sapiens (Human))		BDBM261588
PNG
(US10513499, Compound 11 | US11254644, Compound 11 ...)
Show SMILES OC(=O)c1cccc(CSc2nc(-c3ccccc3)c(Br)c(=O)[nH]2)c1
Show InChI InChI=1S/C18H13BrN2O3S/c19-14-15(12-6-2-1-3-7-12)20-18(21-16(14)22)25-10-11-5-4-8-13(9-11)17(23)24/h1-9H,10H2,(H,23,24)(H,20,21,22)
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TES Pharma S.r.l.

US Patent


Assay Description
The pre-assay mixture consisting of 3-hydroxyanthranilic acid (30H-HA), 3-hydroxyanthranilic acid, 3,4-diOxygenase (HAO), and a dialyzed crude extrac...

US Patent US10513499 (2019)


BindingDB Entry DOI: 10.7270/Q2H41TTQ
More data for this
Ligand-Target Pair
2-amino-3-carboxymuconate-6-semialdehyde decarboxylase


(Homo sapiens (Human))		BDBM261535
PNG
(US10513499, Compound 6 | US11254644, Compound 6 | ...)
Show SMILES OC(=O)c1cccc(CSc2nc(C3CCCCC3)c(C#N)c(=O)[nH]2)c1
Show InChI InChI=1S/C19H19N3O3S/c20-10-15-16(13-6-2-1-3-7-13)21-19(22-17(15)23)26-11-12-5-4-8-14(9-12)18(24)25/h4-5,8-9,13H,1-3,6-7,11H2,(H,24,25)(H,21,22,23)
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TES Pharma S.r.l.

US Patent


Assay Description
The pre-assay mixture consisting of 3-hydroxyanthranilic acid (30H-HA), 3-hydroxyanthranilic acid, 3,4-diOxygenase (HAO), and a dialyzed crude extrac...

US Patent US10513499 (2019)


BindingDB Entry DOI: 10.7270/Q2H41TTQ
More data for this
Ligand-Target Pair
2-amino-3-carboxymuconate-6-semialdehyde decarboxylase


(Homo sapiens (Human))		BDBM261540
PNG
(US10513499, Compound 8 | US11254644, Compound 8 | ...)
Show SMILES OC(=O)c1ccc(CSc2nc(-c3ccc(Cl)cc3)c(C#N)c(=O)[nH]2)cc1
Show InChI InChI=1S/C19H12ClN3O3S/c20-14-7-5-12(6-8-14)16-15(9-21)17(24)23-19(22-16)27-10-11-1-3-13(4-2-11)18(25)26/h1-8H,10H2,(H,25,26)(H,22,23,24)
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TES Pharma S.r.l.

US Patent


Assay Description
The pre-assay mixture consisting of 3-hydroxyanthranilic acid (30H-HA), 3-hydroxyanthranilic acid, 3,4-diOxygenase (HAO), and a dialyzed crude extrac...

US Patent US10513499 (2019)


BindingDB Entry DOI: 10.7270/Q2H41TTQ
More data for this
Ligand-Target Pair
2-amino-3-carboxymuconate-6-semialdehyde decarboxylase


(Homo sapiens (Human))		BDBM261538
PNG
(US10513499, Compound 7 | US11254644, Compound 7 | ...)
Show SMILES OC(=O)c1cccc(CSc2nc(-c3ccncc3)c(C#N)c(=O)[nH]2)c1
Show InChI InChI=1S/C18H12N4O3S/c19-9-14-15(12-4-6-20-7-5-12)21-18(22-16(14)23)26-10-11-2-1-3-13(8-11)17(24)25/h1-8H,10H2,(H,24,25)(H,21,22,23)
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TES Pharma S.r.l.

US Patent


Assay Description
The pre-assay mixture consisting of 3-hydroxyanthranilic acid (30H-HA), 3-hydroxyanthranilic acid, 3,4-diOxygenase (HAO), and a dialyzed crude extrac...

US Patent US10513499 (2019)


BindingDB Entry DOI: 10.7270/Q2H41TTQ
More data for this
Ligand-Target Pair
2-amino-3-carboxymuconate-6-semialdehyde decarboxylase


(Homo sapiens (Human))		BDBM261593
PNG
(US10513499, Compound 12 | US11254644, Compound 12 ...)
Show SMILES OC(=O)c1cccc(CSc2nc(-c3cccs3)c(Br)c(=O)[nH]2)c1
Show InChI InChI=1S/C16H11BrN2O3S2/c17-12-13(11-5-2-6-23-11)18-16(19-14(12)20)24-8-9-3-1-4-10(7-9)15(21)22/h1-7H,8H2,(H,21,22)(H,18,19,20)
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TES Pharma S.r.l.

US Patent


Assay Description
The pre-assay mixture consisting of 3-hydroxyanthranilic acid (30H-HA), 3-hydroxyanthranilic acid, 3,4-diOxygenase (HAO), and a dialyzed crude extrac...

US Patent US10513499 (2019)


BindingDB Entry DOI: 10.7270/Q2H41TTQ
More data for this
Ligand-Target Pair
2-amino-3-carboxymuconate-6-semialdehyde decarboxylase


(Homo sapiens (Human))		BDBM261605
PNG
(US10513499, Compound 16 | US11254644, Compound 16 ...)
Show SMILES OC(=O)c1ccc(CSc2nc(-c3ccccc3)c(C#N)c(=O)[nH]2)cc1
Show InChI InChI=1S/C19H13N3O3S/c20-10-15-16(13-4-2-1-3-5-13)21-19(22-17(15)23)26-11-12-6-8-14(9-7-12)18(24)25/h1-9H,11H2,(H,24,25)(H,21,22,23)
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TES Pharma S.r.l.

US Patent


Assay Description
The pre-assay mixture consisting of 3-hydroxyanthranilic acid (30H-HA), 3-hydroxyanthranilic acid, 3,4-diOxygenase (HAO), and a dialyzed crude extrac...

US Patent US10513499 (2019)


BindingDB Entry DOI: 10.7270/Q2H41TTQ
More data for this
Ligand-Target Pair
2-amino-3-carboxymuconate-6-semialdehyde decarboxylase


(Homo sapiens (Human))		BDBM261602
PNG
(US10513499, Compound 13 | US11254644, Compound 13 ...)
Show SMILES OC(=O)c1cccc(CSc2nc(-c3ccccc3)c(Cl)c(=O)[nH]2)c1
Show InChI InChI=1S/C18H13ClN2O3S/c19-14-15(12-6-2-1-3-7-12)20-18(21-16(14)22)25-10-11-5-4-8-13(9-11)17(23)24/h1-9H,10H2,(H,23,24)(H,20,21,22)
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TES Pharma S.r.l.

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Assay Description
The pre-assay mixture consisting of 3-hydroxyanthranilic acid (30H-HA), 3-hydroxyanthranilic acid, 3,4-diOxygenase (HAO), and a dialyzed crude extrac...

US Patent US10513499 (2019)


BindingDB Entry DOI: 10.7270/Q2H41TTQ
More data for this
Ligand-Target Pair
2-amino-3-carboxymuconate-6-semialdehyde decarboxylase


(Homo sapiens (Human))		BDBM261603
PNG
(US10513499, Compound 14 | US11254644, Compound 14 ...)
Show SMILES OC(=O)c1cccc(CSc2nc(cc(=O)[nH]2)-c2ccccc2)c1
Show InChI InChI=1S/C18H14N2O3S/c21-16-10-15(13-6-2-1-3-7-13)19-18(20-16)24-11-12-5-4-8-14(9-12)17(22)23/h1-10H,11H2,(H,22,23)(H,19,20,21)
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TES Pharma S.r.l.

US Patent


Assay Description
The pre-assay mixture consisting of 3-hydroxyanthranilic acid (30H-HA), 3-hydroxyanthranilic acid, 3,4-diOxygenase (HAO), and a dialyzed crude extrac...

US Patent US10513499 (2019)


BindingDB Entry DOI: 10.7270/Q2H41TTQ
More data for this
Ligand-Target Pair
2-amino-3-carboxymuconate-6-semialdehyde decarboxylase


(Homo sapiens (Human))		BDBM261604
PNG
(US10513499, Compound 15 | US11254644, Compound 15 ...)
Show SMILES OC(=O)c1cccc(CSc2nc(cc(=O)[nH]2)-c2cccs2)c1
Show InChI InChI=1S/C16H12N2O3S2/c19-14-8-12(13-5-2-6-22-13)17-16(18-14)23-9-10-3-1-4-11(7-10)15(20)21/h1-8H,9H2,(H,20,21)(H,17,18,19)
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TES Pharma S.r.l.

US Patent


Assay Description
The pre-assay mixture consisting of 3-hydroxyanthranilic acid (30H-HA), 3-hydroxyanthranilic acid, 3,4-diOxygenase (HAO), and a dialyzed crude extrac...

US Patent US10513499 (2019)


BindingDB Entry DOI: 10.7270/Q2H41TTQ
More data for this
Ligand-Target Pair
2-amino-3-carboxymuconate-6-semialdehyde decarboxylase


(Homo sapiens (Human))		BDBM261543
PNG
(US10513499, Compound 9 | US11254644, Compound 9 | ...)
Show SMILES CCOC(=O)c1cccc(CSc2nc(-c3ccc(C)cc3)c(C#N)c(=O)[nH]2)c1
Show InChI InChI=1S/C22H19N3O3S/c1-3-28-21(27)17-6-4-5-15(11-17)13-29-22-24-19(18(12-23)20(26)25-22)16-9-7-14(2)8-10-16/h4-11H,3,13H2,1-2H3,(H,24,25,26)
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TES Pharma S.r.l.

US Patent


Assay Description
The pre-assay mixture consisting of 3-hydroxyanthranilic acid (30H-HA), 3-hydroxyanthranilic acid, 3,4-diOxygenase (HAO), and a dialyzed crude extrac...

US Patent US10513499 (2019)


BindingDB Entry DOI: 10.7270/Q2H41TTQ
More data for this
Ligand-Target Pair
2-amino-3-carboxymuconate-6-semialdehyde decarboxylase


(Homo sapiens (Human))		BDBM261610
PNG
(US10513499, Compound 22 | US11254644, Compound 22 ...)
Show SMILES OC(=O)c1cccc(CSc2nc(Cl)c(C#N)c(n2)-c2ccccc2)c1
Show InChI InChI=1S/C19H12ClN3O2S/c20-17-15(10-21)16(13-6-2-1-3-7-13)22-19(23-17)26-11-12-5-4-8-14(9-12)18(24)25/h1-9H,11H2,(H,24,25)
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TES Pharma S.r.l.

US Patent


Assay Description
The pre-assay mixture consisting of 3-hydroxyanthranilic acid (30H-HA), 3-hydroxyanthranilic acid, 3,4-diOxygenase (HAO), and a dialyzed crude extrac...

US Patent US10513499 (2019)


BindingDB Entry DOI: 10.7270/Q2H41TTQ
More data for this
Ligand-Target Pair
2-amino-3-carboxymuconate-6-semialdehyde decarboxylase


(Homo sapiens (Human))		BDBM261555
PNG
(US10513499, Compound 10 | US11254644, Compound 10 ...)
Show SMILES Cc1nc(SCc2cccc(c2)C(O)=O)[nH]c(=O)c1C#N
Show InChI InChI=1S/C14H11N3O3S/c1-8-11(6-15)12(18)17-14(16-8)21-7-9-3-2-4-10(5-9)13(19)20/h2-5H,7H2,1H3,(H,19,20)(H,16,17,18)
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TES Pharma S.r.l.

US Patent


Assay Description
The pre-assay mixture consisting of 3-hydroxyanthranilic acid (30H-HA), 3-hydroxyanthranilic acid, 3,4-diOxygenase (HAO), and a dialyzed crude extrac...

US Patent US10513499 (2019)


BindingDB Entry DOI: 10.7270/Q2H41TTQ
More data for this
Ligand-Target Pair
2-amino-3-carboxymuconate-6-semialdehyde decarboxylase


(Homo sapiens (Human))		BDBM261609
PNG
(US10513499, Compound 21 | US11254644, Compound 21 ...)
Show SMILES CC(Sc1nc(-c2ccccc2)c(C#N)c(=O)[nH]1)C(O)=O
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UniChem
US Patent
n/an/a 1.99E+3n/an/an/an/an/an/a



TES Pharma S.r.l.

US Patent


Assay Description
The pre-assay mixture consisting of 3-hydroxyanthranilic acid (30H-HA), 3-hydroxyanthranilic acid, 3,4-diOxygenase (HAO), and a dialyzed crude extrac...

US Patent US10513499 (2019)


BindingDB Entry DOI: 10.7270/Q2H41TTQ
More data for this
Ligand-Target Pair
2-amino-3-carboxymuconate-6-semialdehyde decarboxylase


(Homo sapiens (Human))		BDBM261611
PNG
(US10513499, Compound 23 | US11254644, Compound 23 ...)
Show SMILES Oc1ccccc1NC(=O)CSc1nc(-c2cccs2)c(C#N)c(=O)[nH]1
Show InChI InChI=1S/C17H12N4O3S2/c18-8-10-15(13-6-3-7-25-13)20-17(21-16(10)24)26-9-14(23)19-11-4-1-2-5-12(11)22/h1-7,22H,9H2,(H,19,23)(H,20,21,24)
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 4.90E+3n/an/an/an/an/an/a



TES Pharma S.r.l.

US Patent


Assay Description
The pre-assay mixture consisting of 3-hydroxyanthranilic acid (30H-HA), 3-hydroxyanthranilic acid, 3,4-diOxygenase (HAO), and a dialyzed crude extrac...

US Patent US10513499 (2019)


BindingDB Entry DOI: 10.7270/Q2H41TTQ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%