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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Kynureninase' and Ligand = 'BDBM50109155'   
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
Kynureninase


(Homo sapiens (Human))
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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Article
PubMed
100n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
Inhibition of human kynureninase


J Med Chem 52: 389-96 (2009)


Article DOI: 10.1021/jm8010806
BindingDB Entry DOI: 10.7270/Q2DZ0860
More data for this
Ligand-Target Pair
Kynureninase


(Homo sapiens (Human))
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)


BindingDB Entry DOI: 10.7270/Q2P26XFS
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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PubMed
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)


BindingDB Entry DOI: 10.7270/Q2P26XFS
More data for this
Ligand-Target Pair
Kynureninase


(Homo sapiens (Human))
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)
PDB
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CHEMBL
PC cid
PC sid
UniChem
PubMed
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)


BindingDB Entry DOI: 10.7270/Q2P26XFS
More data for this
Ligand-Target Pair