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PubMed code 8126705

Compile data set for download or QSAR
Found 8 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
Kynurenine 3-monooxygenase


(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 900n/an/an/an/an/an/a



Universit£ di Perugia

Curated by ChEMBL


Assay Description
Ability to inhibit kynurenine-3-hydroxylase was determined in a competitive inhibition assay.

J Med Chem 37: 647-55 (1994)


BindingDB Entry DOI: 10.7270/Q2VD703H
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)


BindingDB Entry DOI: 10.7270/Q2VD703H
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)


BindingDB Entry DOI: 10.7270/Q2VD703H
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(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 3.00E+5n/an/an/an/an/an/a



Universit£ di Perugia

Curated by ChEMBL


Assay Description
Ability to inhibit kynurenine-3-hydroxylase was determined in a competitive inhibition assay.

J Med Chem 37: 647-55 (1994)


BindingDB Entry DOI: 10.7270/Q2VD703H
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)


BindingDB Entry DOI: 10.7270/Q2VD703H
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)


BindingDB Entry DOI: 10.7270/Q2VD703H
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(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 9.00E+5n/an/an/an/an/an/a



Universit£ di Perugia

Curated by ChEMBL


Assay Description
Ability to inhibit kynurenine-3-hydroxylase was determined in a competitive inhibition assay.

J Med Chem 37: 647-55 (1994)


BindingDB Entry DOI: 10.7270/Q2VD703H
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(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 2.00E+6n/an/an/an/an/an/a



Universit£ di Perugia

Curated by ChEMBL


Assay Description
Ability to inhibit kynurenine-3-hydroxylase was determined in a competitive inhibition assay.

J Med Chem 37: 647-55 (1994)


BindingDB Entry DOI: 10.7270/Q2VD703H
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%