BDBM50076680 CHEMBL6461::Ro-48-1220::Sodium; (2S,3R,5R)-3-((Z)-2-cyano-vinyl)-3-methyl-4,4,7-trioxo-4lambda*6*-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylate::Sodium; (2S,3S,5R)-3-((Z)-2-cyano-vinyl)-3-methyl-4,4,7-trioxo-4lambda*6*-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylate

SMILES C[C@]1(\C=C\C#N)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C([O-])=O

InChI Key InChIKey=JYGFUXUBGZBBAC-UHFFFAOYSA-M

Data  33 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 33 hits for monomerid = 50076680   

TargetBeta-lactamase OXA-2(Escherichia coli)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50076680(Sodium; (2S,3R,5R)-3-((Z)-2-cyano-vinyl)-3-methyl-...)
Affinity DataIC50: 210nMAssay Description:Compound was tested for inhibition of Beta-lactamase fromOXA-2More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/2/2012
Entry Details Article
PubMed
TargetBeta-lactamase TEM(Escherichia coli)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50076680(Sodium; (2S,3R,5R)-3-((Z)-2-cyano-vinyl)-3-methyl-...)
Affinity DataIC50: 130nMAssay Description:Compound was tested for inhibition of Beta-lactamase from RTEM-3More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/2/2012
Entry Details Article
PubMed
TargetBeta-lactamase(Enterobacter cloacae)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50076680(Sodium; (2S,3R,5R)-3-((Z)-2-cyano-vinyl)-3-methyl-...)
Affinity DataIC50: 3.40E+3nMAssay Description:Compound was tested for inhibition of Beta-lactamase from Ent. cloacae 6300More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/2/2012
Entry Details Article
PubMed
TargetBeta-lactamase(Staphylococcus aureus)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50076680(Sodium; (2S,3R,5R)-3-((Z)-2-cyano-vinyl)-3-methyl-...)
Affinity DataIC50: 250nMAssay Description:Compound was tested for inhibition of Beta-lactamase from Staphylococcus aureus PCIMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/2/2012
Entry Details Article
PubMed
TargetBeta-lactamase(Bacillus licheniformis)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50076680(Sodium; (2S,3R,5R)-3-((Z)-2-cyano-vinyl)-3-methyl-...)
Affinity DataIC50: 320nMAssay Description:Compound was tested for inhibition of Beta-lactamase from Bacillus licheniformis 749/CMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/2/2012
Entry Details Article
PubMed
TargetPenicillin-binding protein 2(Staphylococcus aureus)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50076680(Sodium; (2S,3R,5R)-3-((Z)-2-cyano-vinyl)-3-methyl-...)
Affinity DataIC50: 2.80E+5nMAssay Description:Compound was tested for inhibition of 604 (Cephalosporin resistant mutants of Penicillin-binding protein 2) from Streptococcus pneumoniaeMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/2/2012
Entry Details Article
PubMed
TargetBeta-lactamase OXA-1(Escherichia coli)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50076680(Sodium; (2S,3R,5R)-3-((Z)-2-cyano-vinyl)-3-methyl-...)
Affinity DataIC50: 100nMAssay Description:Compound was tested for inhibition of Beta-lactamase from OXA-1More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/2/2012
Entry Details Article
PubMed
TargetBeta-lactamase(Escherichia coli)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50076680(Sodium; (2S,3R,5R)-3-((Z)-2-cyano-vinyl)-3-methyl-...)
Affinity DataIC50: 90nMAssay Description:Compound was tested for inhibition of Beta-lactamase from PSE-1More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/2/2012
Entry Details Article
PubMed
TargetBeta-lactamase(Citrobacter freundii)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50076680(Sodium; (2S,3R,5R)-3-((Z)-2-cyano-vinyl)-3-methyl-...)
Affinity DataIC50: 210nMAssay Description:Compound was tested for inhibition of Beta-lactamase from Morganell morgani U1627More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/2/2012
Entry Details Article
PubMed
TargetBeta-lactamase TEM(Escherichia coli)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50076680(Sodium; (2S,3R,5R)-3-((Z)-2-cyano-vinyl)-3-methyl-...)
Affinity DataIC50: 1.07E+3nMAssay Description:Compound was tested for inhibition of Beta-lactamase from RTEM-1More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/2/2012
Entry Details Article
PubMed
TargetBeta-lactamase(Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50076680(Sodium; (2S,3R,5R)-3-((Z)-2-cyano-vinyl)-3-methyl-...)
Affinity DataIC50: 380nMAssay Description:Compound was tested for inhibition of Beta-lactamase from Pseudomonas aeruginosa 18SHMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/2/2012
Entry Details Article
PubMed
TargetMetallo-beta-lactamase type 2(Bacteroides fragilis)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50076680(Sodium; (2S,3R,5R)-3-((Z)-2-cyano-vinyl)-3-methyl-...)
Affinity DataIC50: 2.00E+5nMAssay Description:Compound was tested for inhibition of Beta-lactamase from Bacteroides fragilis BF 101More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/2/2012
Entry Details Article
PubMed
TargetMetallo-beta-lactamase L1 type 3(Pseudomonas maltophilia)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50076680(Sodium; (2S,3R,5R)-3-((Z)-2-cyano-vinyl)-3-methyl-...)
Affinity DataIC50: 2.40E+4nMAssay Description:Compound was tested for inhibition of Beta-lactamase from Xanthomonas maltophila 328More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/2/2012
Entry Details Article
PubMed
TargetPenicillin-binding protein, transpeptidase domain protein(Staphylococcus aureus)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50076680(Sodium; (2S,3R,5R)-3-((Z)-2-cyano-vinyl)-3-methyl-...)
Affinity DataIC50: 3.40E+5nMAssay Description:Compound was tested for inhibition of Penicillin-binding protein 3 from Escherichia coli.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/2/2012
Entry Details Article
PubMed
TargetPenicillin-binding protein 4(Staphylococcus aureus)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50076680(Sodium; (2S,3R,5R)-3-((Z)-2-cyano-vinyl)-3-methyl-...)
Affinity DataIC50: 1.70E+4nMAssay Description:Compound was tested for inhibition of Penicillin-binding protein 4 from Staphylococcus aureus (Schoch).More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/2/2012
Entry Details Article
PubMed
TargetBeta-lactamase(Escherichia coli (strain K12))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50076680(Sodium; (2S,3R,5R)-3-((Z)-2-cyano-vinyl)-3-methyl-...)
Affinity DataIC50: 3.70E+3nMAssay Description:Compound was tested for inhibition of Beta-lactamase from Bacteroides fragilis 98More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/2/2012
Entry Details Article
PubMed
TargetBeta-lactamase SHV-1(Pseudomonas aeruginosa (g-Proteobacteria))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50076680(Sodium; (2S,3R,5R)-3-((Z)-2-cyano-vinyl)-3-methyl-...)
Affinity DataIC50: 540nMAssay Description:Compound was tested for inhibition of Beta-lactamase from SHV-2More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/2/2012
Entry Details Article
PubMed
TargetBeta-lactamase(Escherichia coli (strain K12))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50076680(Sodium; (2S,3R,5R)-3-((Z)-2-cyano-vinyl)-3-methyl-...)
Affinity DataIC50: 1.13E+3nMAssay Description:Inhibitory activity against AmpC (class C) beta-lactamaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetBeta-lactamase OXA-1(Escherichia coli)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50076680(Sodium; (2S,3R,5R)-3-((Z)-2-cyano-vinyl)-3-methyl-...)
Affinity DataIC50: 100nMAssay Description:Compound was tested for inhibition of Beta-lactamase from OXA-1More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/2/2012
Entry Details Article
PubMed
TargetBeta-lactamase(Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50076680(Sodium; (2S,3R,5R)-3-((Z)-2-cyano-vinyl)-3-methyl-...)
Affinity DataIC50: 380nMAssay Description:Compound was tested for inhibition of Beta-lactamase from Pseudomonas aeruginosa 18SHMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/2/2012
Entry Details Article
PubMed
TargetBeta-lactamase(Enterobacter cloacae)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50076680(Sodium; (2S,3R,5R)-3-((Z)-2-cyano-vinyl)-3-methyl-...)
Affinity DataIC50: 410nMAssay Description:Compound was tested for inhibition of Beta-lactamase from Enterobacter cloacae 908RMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/2/2012
Entry Details Article
PubMed
TargetBeta-lactamase(Citrobacter freundii)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50076680(Sodium; (2S,3R,5R)-3-((Z)-2-cyano-vinyl)-3-methyl-...)
Affinity DataIC50: 210nMAssay Description:Compound was tested for inhibition of Beta-lactamase from Citrobacter freundii 1982More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/2/2012
Entry Details Article
PubMed
TargetPenicillin-binding protein 2(Staphylococcus aureus)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50076680(Sodium; (2S,3R,5R)-3-((Z)-2-cyano-vinyl)-3-methyl-...)
Affinity DataIC50: 3.40E+4nMAssay Description:Compound was tested for inhibition of Penicillin-binding protein 2 from Escherichia coli.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/2/2012
Entry Details Article
PubMed
TargetPenicillin-binding protein 2(Staphylococcus aureus)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50076680(Sodium; (2S,3R,5R)-3-((Z)-2-cyano-vinyl)-3-methyl-...)
Affinity DataIC50: 1.70E+4nMAssay Description:Compound was tested for inhibition of Penicillin-binding protein 2 from Staphylococcus aureus (Schoch).More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/2/2012
Entry Details Article
PubMed
TargetPenicillin-binding protein, transpeptidase domain protein(Staphylococcus aureus)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50076680(Sodium; (2S,3R,5R)-3-((Z)-2-cyano-vinyl)-3-methyl-...)
Affinity DataIC50: 3.40E+5nMAssay Description:Compound was tested for inhibition of Penicillin-binding protein 3 from Escherichia coli.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/2/2012
Entry Details Article
PubMed
TargetBeta-lactamase(Enterobacter cloacae)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50076680(Sodium; (2S,3R,5R)-3-((Z)-2-cyano-vinyl)-3-methyl-...)
Affinity DataIC50: 380nMAssay Description:Compound was tested for inhibition of Pseudomonas aeruginosa 18SH, class C of Beta-lactamaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/2/2012
Entry Details Article
PubMed
TargetBeta-lactamase(Enterobacter cloacae)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50076680(Sodium; (2S,3R,5R)-3-((Z)-2-cyano-vinyl)-3-methyl-...)
Affinity DataIC50: 210nMAssay Description:Compound was tested for inhibition of Citrobacter freundii 1928, class C of Beta-lactamaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/2/2012
Entry Details Article
PubMed
TargetBeta-lactamase(Enterobacter cloacae)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50076680(Sodium; (2S,3R,5R)-3-((Z)-2-cyano-vinyl)-3-methyl-...)
Affinity DataIC50: 1.50E+3nMAssay Description:Compound was tested for inhibition of Escherichia coli AmpC, class C of Beta-lactamaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/2/2012
Entry Details Article
PubMed
TargetBeta-lactamase(Enterobacter cloacae)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50076680(Sodium; (2S,3R,5R)-3-((Z)-2-cyano-vinyl)-3-methyl-...)
Affinity DataIC50: 3.40E+3nMAssay Description:Compound was tested for inhibition of Beta-lactamase from Ent. cloacae 6300More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/2/2012
Entry Details Article
PubMed
TargetBeta-lactamase(Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50076680(Sodium; (2S,3R,5R)-3-((Z)-2-cyano-vinyl)-3-methyl-...)
Affinity DataIC50: 1.97E+3nMAssay Description:Compound was tested for inhibition of Beta-lactamase from Pseudomonas aeruginosa MK-1184More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/2/2012
Entry Details Article
PubMed
TargetBeta-lactamase TEM(Escherichia coli)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50076680(Sodium; (2S,3R,5R)-3-((Z)-2-cyano-vinyl)-3-methyl-...)
Affinity DataIC50: 980nMAssay Description:Compound was tested for inhibition of Beta-lactamase from RTEM-2More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/2/2012
Entry Details Article
PubMed
TargetPenicillin-binding protein 2(Staphylococcus aureus)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50076680(Sodium; (2S,3R,5R)-3-((Z)-2-cyano-vinyl)-3-methyl-...)
Affinity DataIC50: 5.00E+3nMAssay Description:Compound was tested for inhibition of Penicillin-binding protein 2 from Streptococcus pneumoniaeMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/2/2012
Entry Details Article
PubMed
TargetBeta-lactamase TEM(Escherichia coli)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50076680(Sodium; (2S,3R,5R)-3-((Z)-2-cyano-vinyl)-3-methyl-...)
Affinity DataIC50: 42nMAssay Description:Inhibitory activity against TEM-1 (class A) beta-lactamaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed