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Compile Data Set for Download or QSAR

Found 22 hits Enz. Inhib. hit(s) with Target = 'Kynureninase'   
Target
(Institution)
LigandTarget
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
Kynureninase


(Rattus norvegicus)
BDBM50069732
PNG
(2-Amino-3-(2-amino-5-methyl-benzenesulfonyl)-propi...)
Show SMILES Cc1ccc(N)c(c1)S(=O)(=O)CC(N)C(O)=O
Show InChI InChI=1S/C10H14N2O4S/c1-6-2-3-7(11)9(4-6)17(15,16)5-8(12)10(13)14/h2-4,8H,5,11-12H2,1H3,(H,13,14)
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n/an/a 1.10E+4n/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of mammalian kynureninase in rat liver


Bioorg Med Chem Lett 8: 133-8 (1999)

More data for this
Ligand-Target Pair
Kynureninase


(Rattus norvegicus)
BDBM50069731
PNG
(2-Amino-3-(2-amino-3-fluoro-benzenesulfonyl)-propi...)
Show SMILES NC(CS(=O)(=O)c1cccc(F)c1N)C(O)=O
Show InChI InChI=1S/C9H11FN2O4S/c10-5-2-1-3-7(8(5)12)17(15,16)4-6(11)9(13)14/h1-3,6H,4,11-12H2,(H,13,14)
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n/an/a 2.00E+4n/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of mammalian kynureninase in rat liver


Bioorg Med Chem Lett 8: 133-8 (1999)

More data for this
Ligand-Target Pair
Kynureninase


(Rattus norvegicus)
BDBM50069729
PNG
(2-Amino-3-(2-amino-3-methoxy-benzenesulfonyl)-prop...)
Show SMILES COc1cccc(c1N)S(=O)(=O)CC(N)C(O)=O
Show InChI InChI=1S/C10H14N2O5S/c1-17-7-3-2-4-8(9(7)12)18(15,16)5-6(11)10(13)14/h2-4,6H,5,11-12H2,1H3,(H,13,14)
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n/an/a 2.90E+4n/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of mammalian kynureninase in rat liver


Bioorg Med Chem Lett 8: 133-8 (1999)

More data for this
Ligand-Target Pair
Kynureninase


(Rattus norvegicus)
BDBM50069730
PNG
(2-Amino-3-(2-amino-benzenesulfonyl)-propionic acid...)
Show SMILES NC(CS(=O)(=O)c1ccccc1N)C(O)=O
Show InChI InChI=1S/C9H12N2O4S/c10-6-3-1-2-4-8(6)16(14,15)5-7(11)9(12)13/h1-4,7H,5,10-11H2,(H,12,13)
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n/an/a 3.60E+4n/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of mammalian kynureninase in rat liver


Bioorg Med Chem Lett 8: 133-8 (1999)

More data for this
Ligand-Target Pair
Kynureninase


(Rattus norvegicus)
BDBM50083950
PNG
((S)-(+)-2-Amino-4-(3-nitro-phenyl)-4-oxo-butyric a...)
Show SMILES N[C@@H](CC(=O)c1cccc(c1)[N+]([O-])=O)C(O)=O
Show InChI InChI=1S/C10H10N2O5/c11-8(10(14)15)5-9(13)6-2-1-3-7(4-6)12(16)17/h1-4,8H,5,11H2,(H,14,15)/t8-/m0/s1
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Article
n/an/a 6.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against kynureninase from rat liver


Citation and Details
More data for this
Ligand-Target Pair
Kynureninase


(Rattus norvegicus)
BDBM50284766
PNG
((R)-2-Amino-4-(3-nitro-phenyl)-4-oxo-butyric acid ...)
Show SMILES N[C@H](CC(=O)c1cccc(c1)[N+]([O-])=O)C(O)=O
Show InChI InChI=1S/C10H10N2O5/c11-8(10(14)15)5-9(13)6-2-1-3-7(4-6)12(16)17/h1-4,8H,5,11H2,(H,14,15)/t8-/m1/s1
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n/an/a 1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against kynureninase from rat liver


Citation and Details
More data for this
Ligand-Target Pair
Kynureninase


(Rattus norvegicus)
BDBM50061907
PNG
((+/-)-2-Amino-4-(3-nitro-phenyl)-4-oxo-butyric aci...)
Show SMILES NC(CC(=O)c1cccc(c1)[N+]([O-])=O)C(O)=O
Show InChI InChI=1S/C10H10N2O5/c11-8(10(14)15)5-9(13)6-2-1-3-7(4-6)12(16)17/h1-4,8H,5,11H2,(H,14,15)
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n/an/a 1.00E+5n/an/an/an/an/an/a



Universit£ di Perugia

Curated by ChEMBL


Assay Description
Ability to inhibit kynureninase was determined in a competitive inhibition assay.


J Med Chem 37: 647-55 (1994)

More data for this
Ligand-Target Pair
Kynureninase


(Rattus norvegicus)
BDBM50040567
PNG
(CHEMBL158499 | ortho-nitrobenzoyl)alanine)
Show SMILES [NH3+]C(CC(=O)c1ccccc1[N+]([O-])=O)C([O-])=O
Show InChI InChI=1S/C10H10N2O5/c11-7(10(14)15)5-9(13)6-3-1-2-4-8(6)12(16)17/h1-4,7H,5,11H2,(H,14,15)
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n/an/a 1.00E+5n/an/an/an/an/an/a



Universit£ di Perugia

Curated by ChEMBL


Assay Description
Ability to inhibit kynureninase was determined in a competitive inhibition assay.


J Med Chem 37: 647-55 (1994)

More data for this
Ligand-Target Pair
Kynureninase


(Rattus norvegicus)
BDBM50040570
PNG
(CHEMBL160527 | NICOTINOYLALANINENAL | nicotinoylal...)
Show SMILES [NH3+]C(CC(=O)c1cccnc1)C([O-])=O
Show InChI InChI=1S/C9H10N2O3/c10-7(9(13)14)4-8(12)6-2-1-3-11-5-6/h1-3,5,7H,4,10H2,(H,13,14)
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n/an/a 8.00E+5n/an/an/an/an/an/a



Universit£ di Perugia

Curated by ChEMBL


Assay Description
Ability to inhibit kynureninase was determined in a competitive inhibition assay.


J Med Chem 37: 647-55 (1994)

More data for this
Ligand-Target Pair
Kynureninase


(Rattus norvegicus)
BDBM50040568
PNG
(CHEMBL157866 | para-nitrobenzoyl)alanine)
Show SMILES [NH3+]C(CC(=O)c1ccc(cc1)[N+]([O-])=O)C([O-])=O
Show InChI InChI=1S/C10H10N2O5/c11-8(10(14)15)5-9(13)6-1-3-7(4-2-6)12(16)17/h1-4,8H,5,11H2,(H,14,15)
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n/an/a 9.00E+5n/an/an/an/an/an/a



Universit£ di Perugia

Curated by ChEMBL


Assay Description
Ability to inhibit kynureninase was determined in a competitive inhibition assay.


J Med Chem 37: 647-55 (1994)

More data for this
Ligand-Target Pair
Kynureninase


(Homo sapiens)
BDBM50288256
PNG
((R)-2-Amino-3-(2-amino-benzenesulfonyl)-propionic ...)
Show SMILES N[C@H](CS(=O)(=O)c1ccccc1N)C(O)=O
Show InChI InChI=1S/C9H12N2O4S/c10-6-3-1-2-4-8(6)16(14,15)5-7(11)9(12)13/h1-4,7H,5,10-11H2,(H,12,13)/t7-/m1/s1
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Article
70n/an/an/an/an/an/an/an/a


TBA

Assay Description
Compound was evaluated for its binding affinity against kynureninase isolated from Pseudomonas fluorescence


Citation and Details
More data for this
Ligand-Target Pair
Kynureninase


(Homo sapiens)
BDBM50069730
PNG
(2-Amino-3-(2-amino-benzenesulfonyl)-propionic acid...)
Show SMILES NC(CS(=O)(=O)c1ccccc1N)C(O)=O
Show InChI InChI=1S/C9H12N2O4S/c10-6-3-1-2-4-8(6)16(14,15)5-7(11)9(12)13/h1-4,7H,5,10-11H2,(H,12,13)
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70n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Compound was tested for the binding affinity against bacterial kynureninase


Bioorg Med Chem Lett 8: 133-8 (1999)

More data for this
Ligand-Target Pair
Kynureninase


(Homo sapiens)
BDBM50109155
PNG
(2-Amino-4-hydroxy-4-(3-hydroxy-phenyl)-butyric aci...)
Show SMILES NC(CC(O)c1cccc(O)c1)C(O)=O
Show InChI InChI=1S/C10H13NO4/c11-8(10(14)15)5-9(13)6-2-1-3-7(12)4-6/h1-4,8-9,12-13H,5,11H2,(H,14,15)
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100n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
Inhibition of human kynureninase


Citation and Details
More data for this
Ligand-Target Pair
Kynureninase


(Homo sapiens)
BDBM50109155
PNG
(2-Amino-4-hydroxy-4-(3-hydroxy-phenyl)-butyric aci...)
Show SMILES NC(CC(O)c1cccc(O)c1)C(O)=O
Show InChI InChI=1S/C10H13NO4/c11-8(10(14)15)5-9(13)6-2-1-3-7(12)4-6/h1-4,8-9,12-13H,5,11H2,(H,14,15)
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100n/an/an/an/an/an/an/an/a



University of St Andrews

Curated by ChEMBL


Assay Description
Tested for binding affinity of the compound against kynureninase enzyme from human


Bioorg Med Chem Lett 12: 361-3 (2002)

More data for this
Ligand-Target Pair
Kynureninase


(Rattus norvegicus)
BDBM50109155
PNG
(2-Amino-4-hydroxy-4-(3-hydroxy-phenyl)-butyric aci...)
Show SMILES NC(CC(O)c1cccc(O)c1)C(O)=O
Show InChI InChI=1S/C10H13NO4/c11-8(10(14)15)5-9(13)6-2-1-3-7(12)4-6/h1-4,8-9,12-13H,5,11H2,(H,14,15)
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130n/an/an/an/an/an/an/an/a



University of St Andrews

Curated by ChEMBL


Assay Description
Tested for binding affinity of the compound against kynureninase enzyme from rat


Bioorg Med Chem Lett 12: 361-3 (2002)

More data for this
Ligand-Target Pair
Kynureninase


(Homo sapiens)
BDBM50288255
PNG
(2-ammonio-4-(2-ammoniophenyl)-4-oxo-(2S)-butanoate)
Show SMILES [NH3+][C@@H](CC(=O)c1ccccc1[NH3+])C([O-])=O
Show InChI InChI=1S/C10H12N2O3/c11-7-4-2-1-3-6(7)9(13)5-8(12)10(14)15/h1-4,8H,5,11-12H2,(H,14,15)/p+1/t8-/m0/s1
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Article
4.28E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Compound was evaluated for its binding affinity against kynureninase isolated from Pseudomonas fluorescence


Citation and Details
More data for this
Ligand-Target Pair
Kynureninase


(Homo sapiens)
BDBM50288257
PNG
((R)-2-Benzyloxycarbonylamino-3-(methoxy-phenyl-pho...)
Show SMILES COC(=O)[C@H](CP(=O)(OC)c1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C19H22NO6P/c1-24-18(21)17(14-27(23,25-2)16-11-7-4-8-12-16)20-19(22)26-13-15-9-5-3-6-10-15/h3-12,17H,13-14H2,1-2H3,(H,20,22)/t17-,27?/m0/s1
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8.80E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Compound was evaluated for its binding affinity against kynureninase isolated from Pseudomonas fluorescence


Citation and Details
More data for this
Ligand-Target Pair
Kynureninase


(Homo sapiens)
BDBM50109155
PNG
(2-Amino-4-hydroxy-4-(3-hydroxy-phenyl)-butyric aci...)
Show SMILES NC(CC(O)c1cccc(O)c1)C(O)=O
Show InChI InChI=1S/C10H13NO4/c11-8(10(14)15)5-9(13)6-2-1-3-7(12)4-6/h1-4,8-9,12-13H,5,11H2,(H,14,15)
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1.00E+4n/an/an/an/an/an/an/an/a



University of St Andrews

Curated by ChEMBL


Assay Description
Tested for binding affinity of the compound against kynureninase enzyme from bacterial cells


Bioorg Med Chem Lett 12: 361-3 (2002)

More data for this
Ligand-Target Pair
Kynureninase


(Rattus norvegicus)
BDBM50069730
PNG
(2-Amino-3-(2-amino-benzenesulfonyl)-propionic acid...)
Show SMILES NC(CS(=O)(=O)c1ccccc1N)C(O)=O
Show InChI InChI=1S/C9H12N2O4S/c10-6-3-1-2-4-8(6)16(14,15)5-7(11)9(12)13/h1-4,7H,5,10-11H2,(H,12,13)
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1.80E+4n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Compound was tested for the binding affinity against kynureninase in rat liver


Bioorg Med Chem Lett 8: 133-8 (1999)

More data for this
Ligand-Target Pair
Kynureninase


(Homo sapiens)
BDBM50288254
PNG
(2-ammonio-4-oxo-4-phenyl-(2S)-butanoate | CHEMBL31...)
Show SMILES [NH3+][C@@H](CC(=O)c1ccccc1)C([O-])=O
Show InChI InChI=1S/C10H11NO3/c11-8(10(13)14)6-9(12)7-4-2-1-3-5-7/h1-5,8H,6,11H2,(H,13,14)/t8-/m0/s1
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2.34E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Compound was evaluated for its binding affinity against kynureninase isolated from Pseudomonas fluorescence


Citation and Details
More data for this
Ligand-Target Pair
Kynureninase


(Homo sapiens)
BDBM50265459
PNG
(3-Hydroxyhippuric acid | CHEMBL447627)
Show SMILES OC(=O)CNC(=O)c1cccc(O)c1
Show InChI InChI=1S/C9H9NO4/c11-7-3-1-2-6(4-7)9(14)10-5-8(12)13/h1-4,11H,5H2,(H,10,14)(H,12,13)
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6.00E+4n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
Inhibition of human kynureninase


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Kynureninase


(Homo sapiens)
BDBM50288258
PNG
((R)-2-Benzyloxycarbonylamino-3-(methoxy-phenyl-pho...)
Show SMILES COP(=O)(C[C@H](NC(=O)OCc1ccccc1)C(O)=O)c1ccccc1
Show InChI InChI=1S/C18H20NO6P/c1-24-26(23,15-10-6-3-7-11-15)13-16(17(20)21)19-18(22)25-12-14-8-4-2-5-9-14/h2-11,16H,12-13H2,1H3,(H,19,22)(H,20,21)/t16-,26?/m0/s1
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8.80E+5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Compound was evaluated for its binding affinity against kynureninase isolated from Pseudomonas fluorescence


Citation and Details
More data for this
Ligand-Target Pair