BDBM50240480 (2S,3S)-3-({(2Z)-2-(2-ammonio-1,3-thiazol-4-yl)-2-[(1-carboxy-1-methylethoxy)imino]ethanoyl}amino)-2-methyl-4-oxoazetidine-1-sulfonate::(2S,3S)-3-({(2Z)-2-(2-ammonio-1,3-thiazol-4-yl)-2-[(1-carboxy-1-methylethoxy)imino]ethanoyl}amino)-2-methyl-4-oxoazetidine-1-sulfonate(aztreonam)::2-[1-(2-Amino-thiazol-4-yl)-1-((2S,3S)-2-methyl-4-oxo-1-sulfo-azetidin-3-ylcarbamoyl)-meth-(Z)-ylideneaminooxy]-2-methyl-propionic acid::AZTREONAM::Azactam::Azetreonam::CHEMBL158::SQ-26776

SMILES C[C@H]1[C@H](NC(=O)C(=N/OC(C)(C)C(O)=O)\c2csc(N)n2)C(=O)N1S(O)(=O)=O

InChI Key InChIKey=WZPBZJONDBGPKJ-UHFFFAOYSA-N

Data  3 KI  9 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 12 hits for monomerid = 50240480   

TargetPenicillin-binding protein 1A(Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50240480(CHEMBL158 | (2S,3S)-3-({(2Z)-2-(2-ammonio-1,3-thia...)
Affinity DataIC50: 3.34E+3nMAssay Description:Displacement of fluorescent Bocillin FL from N-terminal His tagged Pseudomonas aeruginosa PAO1 PBP1a (residues 36 to 822) expressed in Escherichia co...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetBeta-lactamase(Escherichia coli)
Institute

Curated by ChEMBL
LigandPNGBDBM50240480(CHEMBL158 | (2S,3S)-3-({(2Z)-2-(2-ammonio-1,3-thia...)
Affinity DataIC50: 32nMAssay Description:Inhibition of Escherichia coli beta-lactamase ACC4More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetBeta-lactamase [1-20](Escherichia coli)
Basilea Pharmaceutica International

Curated by ChEMBL
LigandPNGBDBM50240480(CHEMBL158 | (2S,3S)-3-({(2Z)-2-(2-ammonio-1,3-thia...)
Affinity DataIC50: 60nMAssay Description:Inhibition of Escherichia coli ATCC 25922 AmpCMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetSugE(Salmonella newport)
Institute

Curated by ChEMBL
LigandPNGBDBM50240480(CHEMBL158 | (2S,3S)-3-({(2Z)-2-(2-ammonio-1,3-thia...)
Affinity DataIC50: 6nMAssay Description:Inhibition of Salmonella enterica serotype Newport AM17274 cephalosporinase CMY-31 by UV spectrophotometer in presence of 100 uM of cephalothinMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetBeta-lactamase(Pseudomonas aeruginosa (g-Proteobacteria))
Institute

Curated by ChEMBL
LigandPNGBDBM50240480(CHEMBL158 | (2S,3S)-3-({(2Z)-2-(2-ammonio-1,3-thia...)
Affinity DataIC50: 6nMAssay Description:Inhibition of Klebsiella pneumoniae HP205 cephalosporinase CMY-36 by UV spectrophotometer in presence of 100 uM of cephalothinMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetPeptidoglycan D,D-transpeptidase MrdA(Escherichia coli)
Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL
LigandPNGBDBM50240480(CHEMBL158 | (2S,3S)-3-({(2Z)-2-(2-ammonio-1,3-thia...)
Affinity DataIC50: 1.83E+4nMAssay Description:Inhibition of bocillin FL binding to Escherichia coli MC4100 penicillin-binding protein 2More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetPenicillin-binding protein 1B(Pseudomonas aeruginosa)
Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL
LigandPNGBDBM50240480(CHEMBL158 | (2S,3S)-3-({(2Z)-2-(2-ammonio-1,3-thia...)
Affinity DataIC50: 4.59E+3nMAssay Description:Inhibition of bocillin FL binding to Pseudomonas aeruginosa PAO1 penicillin-binding protein 1bMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetPeptidoglycan D,D-transpeptidase MrdA(Pseudomonas aeruginosa)
Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL
LigandPNGBDBM50240480(CHEMBL158 | (2S,3S)-3-({(2Z)-2-(2-ammonio-1,3-thia...)
Affinity DataIC50: 3.67E+4nMAssay Description:Inhibition of bocillin FL binding to Pseudomonas aeruginosa PAO1 penicillin-binding protein 2More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetPeptidoglycan D,D-transpeptidase FtsI(Pseudomonas aeruginosa)
Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL
LigandPNGBDBM50240480(CHEMBL158 | (2S,3S)-3-({(2Z)-2-(2-ammonio-1,3-thia...)
Affinity DataIC50: 68.9nMAssay Description:Inhibition of bocillin FL binding to Pseudomonas aeruginosa PAO1 penicillin-binding protein 3More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetBeta-lactamase(Acinetobacter baumannii)
Paris-Sud University

Curated by ChEMBL
LigandPNGBDBM50240480(CHEMBL158 | (2S,3S)-3-({(2Z)-2-(2-ammonio-1,3-thia...)
Affinity DataKi:  7nMAssay Description:Activity of Acinetobacter baumannii ADC-33 beta-lactamaseMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetBeta-lactamase(Citrobacter freundii)
Universidad De Buenos Aires

Curated by ChEMBL
LigandPNGBDBM50240480(CHEMBL158 | (2S,3S)-3-({(2Z)-2-(2-ammonio-1,3-thia...)
Affinity DataKi:  2.00E+3nMAssay Description:Inhibition of Citrobacter freundii PER2 beta lactamaseMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetBeta-lactamase(Acinetobacter baumannii)
Paris-Sud University

Curated by ChEMBL
LigandPNGBDBM50240480(CHEMBL158 | (2S,3S)-3-({(2Z)-2-(2-ammonio-1,3-thia...)
Affinity DataKi:  3.00E+3nMAssay Description:Activity of Acinetobacter baumannii ADC-11 beta-lactamaseMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed