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Compile Data Set for Download or QSAR

Found 7 hits of ph data with Target = 'β-lactamase (Bla2)'   
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
β-lactamase (Bla2)


(Bacillus anthracis)
BDBM50335803
PNG
(3-hydroxy-2-methyl-4H-pyran-4-thione | CHEMBL16506...)
Show SMILES Cc1occc(=S)c1O
Show InChI InChI=1S/C6H6O2S/c1-4-6(7)5(9)2-3-8-4/h2-3,7H,1H3
PDB

UniProtKB/TrEMBL

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PC sid
PDB
UniChem

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Article
PubMed
8.50E+4n/an/an/an/an/an/a7.0n/a



Baylor University



Assay Description
Progress curves for slow-binding inhibition analysis were obtained by adding nitrocefin (final concentration 36 μM) to a solution containing enz...


J Enzyme Inhib Med Chem 28: 137-42 (2013)


Article DOI: 10.3109/14756366.2011.640632
BindingDB Entry DOI: 10.7270/Q26T0KHH
More data for this
Ligand-Target Pair
β-lactamase (Bla2)


(Bacillus anthracis)
BDBM50335803
PNG
(3-hydroxy-2-methyl-4H-pyran-4-thione | CHEMBL16506...)
Show SMILES Cc1occc(=S)c1O
Show InChI InChI=1S/C6H6O2S/c1-4-6(7)5(9)2-3-8-4/h2-3,7H,1H3
PDB

UniProtKB/TrEMBL

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PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
n/an/a 2.90E+5n/an/an/an/a7.0n/a



Baylor University



Assay Description
Bla2, in 50 mM MOPS and 30% (v/v) glycerol, was assayed for substrate activity by adding enzyme at a final concentration of 0.13 μg/mL to soluti...


J Enzyme Inhib Med Chem 28: 137-42 (2013)


Article DOI: 10.3109/14756366.2011.640632
BindingDB Entry DOI: 10.7270/Q26T0KHH
More data for this
Ligand-Target Pair
β-lactamase (Bla2)


(Bacillus anthracis)
BDBM50335803
PNG
(3-hydroxy-2-methyl-4H-pyran-4-thione | CHEMBL16506...)
Show SMILES Cc1occc(=S)c1O
Show InChI InChI=1S/C6H6O2S/c1-4-6(7)5(9)2-3-8-4/h2-3,7H,1H3
PDB

UniProtKB/TrEMBL

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CHEMBL
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
n/an/a 2.35E+5n/an/an/an/a7.0n/a



Baylor University



Assay Description
Bla2, in 50 mM MOPS and 30% (v/v) glycerol, was assayed for substrate activity by adding enzyme at a final concentration of 0.13 μg/mL to soluti...


J Enzyme Inhib Med Chem 28: 137-42 (2013)


Article DOI: 10.3109/14756366.2011.640632
BindingDB Entry DOI: 10.7270/Q26T0KHH
More data for this
Ligand-Target Pair
β-lactamase (Bla2)


(Bacillus anthracis)
BDBM50335803
PNG
(3-hydroxy-2-methyl-4H-pyran-4-thione | CHEMBL16506...)
Show SMILES Cc1occc(=S)c1O
Show InChI InChI=1S/C6H6O2S/c1-4-6(7)5(9)2-3-8-4/h2-3,7H,1H3
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
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CHEMBL
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
n/an/a 1.68E+5n/an/an/an/a7.0n/a



Baylor University



Assay Description
Bla2, in 50 mM MOPS and 30% (v/v) glycerol, was assayed for substrate activity by adding enzyme at a final concentration of 0.13 μg/mL to soluti...


J Enzyme Inhib Med Chem 28: 137-42 (2013)


Article DOI: 10.3109/14756366.2011.640632
BindingDB Entry DOI: 10.7270/Q26T0KHH
More data for this
Ligand-Target Pair
β-lactamase (Bla2)


(Bacillus anthracis)
BDBM50335803
PNG
(3-hydroxy-2-methyl-4H-pyran-4-thione | CHEMBL16506...)
Show SMILES Cc1occc(=S)c1O
Show InChI InChI=1S/C6H6O2S/c1-4-6(7)5(9)2-3-8-4/h2-3,7H,1H3
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
n/an/a 1.59E+5n/an/an/an/a7.0n/a



Baylor University



Assay Description
Bla2, in 50 mM MOPS and 30% (v/v) glycerol, was assayed for substrate activity by adding enzyme at a final concentration of 0.13 μg/mL to soluti...


J Enzyme Inhib Med Chem 28: 137-42 (2013)


Article DOI: 10.3109/14756366.2011.640632
BindingDB Entry DOI: 10.7270/Q26T0KHH
More data for this
Ligand-Target Pair
β-lactamase (Bla2)


(Bacillus anthracis)
BDBM50335803
PNG
(3-hydroxy-2-methyl-4H-pyran-4-thione | CHEMBL16506...)
Show SMILES Cc1occc(=S)c1O
Show InChI InChI=1S/C6H6O2S/c1-4-6(7)5(9)2-3-8-4/h2-3,7H,1H3
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
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CHEMBL
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
n/an/a 3.67E+5n/an/an/an/a7.0n/a



Baylor University



Assay Description
Bla2, in 50 mM MOPS and 30% (v/v) glycerol, was assayed for substrate activity by adding enzyme at a final concentration of 0.13 μg/mL to soluti...


J Enzyme Inhib Med Chem 28: 137-42 (2013)


Article DOI: 10.3109/14756366.2011.640632
BindingDB Entry DOI: 10.7270/Q26T0KHH
More data for this
Ligand-Target Pair
β-lactamase (Bla2)


(Bacillus anthracis)
BDBM50335803
PNG
(3-hydroxy-2-methyl-4H-pyran-4-thione | CHEMBL16506...)
Show SMILES Cc1occc(=S)c1O
Show InChI InChI=1S/C6H6O2S/c1-4-6(7)5(9)2-3-8-4/h2-3,7H,1H3
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
n/an/a 2.04E+5n/an/an/an/a7.0n/a



Baylor University



Assay Description
Bla2, in 50 mM MOPS and 30% (v/v) glycerol, was assayed for substrate activity by adding enzyme at a final concentration of 0.13 μg/mL to soluti...


J Enzyme Inhib Med Chem 28: 137-42 (2013)


Article DOI: 10.3109/14756366.2011.640632
BindingDB Entry DOI: 10.7270/Q26T0KHH
More data for this
Ligand-Target Pair