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Compile Data Set for Download or QSAR

Found 5 hits of ic50 for monomerid = 50083950   
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)
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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n/an/a 500n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against kynurenine 3-hydroxylase


Bioorg Med Chem Lett 5: 1451-1454 (1995)


Article DOI: 10.1016/0960-894X(95)00255-R
BindingDB Entry DOI: 10.7270/Q2PR7VZZ
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


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



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of KMO in rat brain homogenates using kynurenine as substrate measured after 5 to 30 mins


Bioorg Med Chem Lett 27: 2023-2028 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.078
BindingDB Entry DOI: 10.7270/Q23R0W54
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


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



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of KMO in rat brain homogenates using kynurenine as substrate measured after 5 to 30 mins


Bioorg Med Chem Lett 27: 2023-2028 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.078
BindingDB Entry DOI: 10.7270/Q23R0W54
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(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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n/an/a 4.00E+3n/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Kynurenine-3-hydroxylase enzyme isolated from the rat liver


J Med Chem 43: 123-7 (2000)


BindingDB Entry DOI: 10.7270/Q2RX9B9B
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
PDB
MMDB

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B.MOAD
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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


Bioorg Med Chem Lett 5: 1451-1454 (1995)


Article DOI: 10.1016/0960-894X(95)00255-R
BindingDB Entry DOI: 10.7270/Q2PR7VZZ
More data for this
Ligand-Target Pair