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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Kynureninase' and Ligand = 'BDBM50069730'   
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))
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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PubMed
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)


BindingDB Entry DOI: 10.7270/Q2639NXW
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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PubMed
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)


BindingDB Entry DOI: 10.7270/Q2639NXW
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)
PDB
MMDB

Reactome pathway
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CHEMBL
PC cid
PC sid
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Patents


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PubMed
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)


BindingDB Entry DOI: 10.7270/Q2639NXW
More data for this
Ligand-Target Pair