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BDBM50288254 2-ammonio-4-oxo-4-phenyl-(2S)-butanoate::CHEMBL315803

SMILES: [NH3+][C@@H](CC(=O)c1ccccc1)C([O-])=O

InChI Key: InChIKey=QXRCVKLRAOSZCP-QMMMGPOBSA-N

Data: 1 KI  1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50288254   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Kynureninase


(Homo sapiens (Human))
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
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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AffyNet 
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CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
2.34E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


Bioorg Med Chem Lett 6: 2643-2646 (1996)


Article DOI: 10.1016/S0960-894X(96)00483-0
BindingDB Entry DOI: 10.7270/Q2HM5903
More data for this
Ligand-Target Pair
PA/PB1


(Hepatitis C virus)
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
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem
PubMed
n/an/a>5.00E+5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of cap 1 ALMV primed Influenza transcriptase


Antimicrob Agents Chemother 38: 2827-37 (1995)


BindingDB Entry DOI: 10.7270/Q25H7HBP
More data for this
Ligand-Target Pair