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Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with Target = 'Beta-lactamase' and Ligand = 'BDBM50000407'   
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
Beta-lactamase


(Aeromonas hydrophila)
BDBM50000407
PNG
(2-carboxypyridine | CHEMBL72628 | alpha-picolinic ...)
Show SMILES OC(=O)c1ccccn1
Show InChI InChI=1S/C6H5NO2/c8-6(9)5-3-1-2-4-7-5/h1-4H,(H,8,9)
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PubMed
5.70E+3n/an/an/an/an/an/an/an/a



Universit£ de Li£ge

Curated by ChEMBL


Assay Description
Inhibition of Aeromonas hydrophila beta lactamase CphA by competitive inhibition assay


Antimicrob Agents Chemother 51: 2136-42 (2007)


Article DOI: 10.1128/aac.00866-06
BindingDB Entry DOI: 10.7270/Q23T9M0P
More data for this
Ligand-Target Pair
Beta-lactamase


(Aeromonas hydrophila)
BDBM50000407
PNG
(2-carboxypyridine | CHEMBL72628 | alpha-picolinic ...)
Show SMILES OC(=O)c1ccccn1
Show InChI InChI=1S/C6H5NO2/c8-6(9)5-3-1-2-4-7-5/h1-4H,(H,8,9)
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Article
PubMed
4.60E+4n/an/an/an/an/an/an/an/a



Universit£ de Li£ge

Curated by ChEMBL


Assay Description
Inhibition of Aeromonas hydrophila beta lactamase CphA at pH 7.0


Antimicrob Agents Chemother 51: 2136-42 (2007)


Article DOI: 10.1128/aac.00866-06
BindingDB Entry DOI: 10.7270/Q23T9M0P
More data for this
Ligand-Target Pair
Beta-lactamase


(Aeromonas hydrophila)
BDBM50000407
PNG
(2-carboxypyridine | CHEMBL72628 | alpha-picolinic ...)
Show SMILES OC(=O)c1ccccn1
Show InChI InChI=1S/C6H5NO2/c8-6(9)5-3-1-2-4-7-5/h1-4H,(H,8,9)
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Article
PubMed
7.60E+4n/an/an/an/an/an/an/an/a



Universit£ de Li£ge

Curated by ChEMBL


Assay Description
Inhibition of Aeromonas hydrophila beta lactamase CphA at pH 8.0


Antimicrob Agents Chemother 51: 2136-42 (2007)


Article DOI: 10.1128/aac.00866-06
BindingDB Entry DOI: 10.7270/Q23T9M0P
More data for this
Ligand-Target Pair
Beta-lactamase


(Aeromonas hydrophila)
BDBM50000407
PNG
(2-carboxypyridine | CHEMBL72628 | alpha-picolinic ...)
Show SMILES OC(=O)c1ccccn1
Show InChI InChI=1S/C6H5NO2/c8-6(9)5-3-1-2-4-7-5/h1-4H,(H,8,9)
PDB

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Article
PubMed
4.40E+5n/an/an/an/an/an/an/an/a



Universit£ de Li£ge

Curated by ChEMBL


Assay Description
Inhibition of Aeromonas hydrophila beta lactamase CphA at pH 9.0


Antimicrob Agents Chemother 51: 2136-42 (2007)


Article DOI: 10.1128/aac.00866-06
BindingDB Entry DOI: 10.7270/Q23T9M0P
More data for this
Ligand-Target Pair
Beta-lactamase


(Aeromonas hydrophila)
BDBM50000407
PNG
(2-carboxypyridine | CHEMBL72628 | alpha-picolinic ...)
Show SMILES OC(=O)c1ccccn1
Show InChI InChI=1S/C6H5NO2/c8-6(9)5-3-1-2-4-7-5/h1-4H,(H,8,9)
PDB

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Article
PubMed
1.10E+6n/an/an/an/an/an/an/an/a



Universit£ de Li£ge

Curated by ChEMBL


Assay Description
Inhibition of Aeromonas hydrophila beta lactamase CphA at pH 10.0


Antimicrob Agents Chemother 51: 2136-42 (2007)


Article DOI: 10.1128/aac.00866-06
BindingDB Entry DOI: 10.7270/Q23T9M0P
More data for this
Ligand-Target Pair
Beta-lactamase


(Klebsiella pneumoniae)
BDBM50000407
PNG
(2-carboxypyridine | CHEMBL72628 | alpha-picolinic ...)
Show SMILES OC(=O)c1ccccn1
Show InChI InChI=1S/C6H5NO2/c8-6(9)5-3-1-2-4-7-5/h1-4H,(H,8,9)
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Article
PubMed
n/an/a>2.00E+6n/an/an/an/an/an/a



UiT The Arctic University of Norway

Curated by ChEMBL


Assay Description
Inhibition of native signal containing Klebsiella pneumoniae OXA-48 using nitrocefin substrate pre-incubated for 5 mins before substrate addition


J Med Chem 59: 5542-54 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00660
BindingDB Entry DOI: 10.7270/Q2NP26CK
More data for this
Ligand-Target Pair
Beta-lactamase


(Klebsiella pneumoniae)
BDBM50000407
PNG
(2-carboxypyridine | CHEMBL72628 | alpha-picolinic ...)
Show SMILES OC(=O)c1ccccn1
Show InChI InChI=1S/C6H5NO2/c8-6(9)5-3-1-2-4-7-5/h1-4H,(H,8,9)
PDB

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UniChem

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Article
PubMed
n/an/an/a>1.00E+6n/an/an/an/an/a



UiT The Arctic University of Norway

Curated by ChEMBL


Assay Description
Binding affinity to native signal deficient and TEV cleavage site containing His-tagged Klebsiella pneumoniae OXA-48 expressed in Escherichia coli as...


J Med Chem 59: 5542-54 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00660
BindingDB Entry DOI: 10.7270/Q2NP26CK
More data for this
Ligand-Target Pair