BDBM50339145 CHEMBL1689063::trans-7-oxo-6-(sulfooxy)-1,6-diazabicyclo[3.2.1]octan-2-carboxamide

SMILES C1C[C@H](N2C[C@@H]1N(C2=O)OS(=O)(=O)O)C(=O)N

InChI Key InChIKey=NDCUAPJVLWFHHB-UHFFFAOYSA-N

Data  4 KI  10 IC50

PDB links: 3 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 50339145   

TargetBeta-lactamase(Enterobacter cloacae)
Novexel

Curated by ChEMBL
LigandPNGBDBM50339145(trans-7-oxo-6-(sulfooxy)-1,6-diazabicyclo[3.2.1]oc...)
Affinity DataIC50: 100nMAssay Description:Inhibition of Enterobacter cloacae beta-lactamase P99 assessed as nitrocefin hydrolysis after 5 mins enzyme-compound preincubationMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/24/2011
Entry Details Article
PubMed
TargetBeta-lactamase(Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...)
Novexel

Curated by ChEMBL
LigandPNGBDBM50339145(trans-7-oxo-6-(sulfooxy)-1,6-diazabicyclo[3.2.1]oc...)
Affinity DataIC50: 128nMAssay Description:Inhibition of Pseudomonas aeruginosa beta-lactamase AmpC assessed as nitrocefin hydrolysis after 5 mins enzyme-compound preincubationMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/24/2011
Entry Details Article
PubMed
TargetBeta-lactamase TEM(Escherichia coli)
Sichuan University

Curated by ChEMBL
LigandPNGBDBM50339145(trans-7-oxo-6-(sulfooxy)-1,6-diazabicyclo[3.2.1]oc...)
Affinity DataIC50: 1.90nMAssay Description:Inhibition of bacterial Beta-lactamase TEM-1 (24 - 286) (unknown origin) expressed in Escherichia coli Transetta (DE3)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/20/2022
Entry Details Article
PubMed
TargetBeta-lactamase(Escherichia coli)
Xihua University

Curated by ChEMBL
LigandPNGBDBM50339145(trans-7-oxo-6-(sulfooxy)-1,6-diazabicyclo[3.2.1]oc...)
Affinity DataIC50: 7nMAssay Description:Inhibition of Escherichia coli beta-lactamase TEM-1More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetBeta-lactamase(Escherichia coli)
Xihua University

Curated by ChEMBL
LigandPNGBDBM50339145(trans-7-oxo-6-(sulfooxy)-1,6-diazabicyclo[3.2.1]oc...)
Affinity DataIC50: 3nMAssay Description:Inhibition of Escherichia coli beta-lactamase CTX-M-14More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetCarbapenem-hydrolyzing beta-lactamase KPC(Klebsiella oxytoca)
Xihua University

Curated by ChEMBL
LigandPNGBDBM50339145(trans-7-oxo-6-(sulfooxy)-1,6-diazabicyclo[3.2.1]oc...)
Affinity DataIC50: 186nMAssay Description:Inhibition of Klebsiella pneumoniae beta-lactamase KPC-2More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetBeta-lactamase(Enterobacter cloacae)
Novexel

Curated by ChEMBL
LigandPNGBDBM50339145(trans-7-oxo-6-(sulfooxy)-1,6-diazabicyclo[3.2.1]oc...)
Affinity DataIC50: 923nMAssay Description:Inhibition of Enterobacter cloacae AmpCMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetBeta-lactamase OXA-1(Escherichia coli)
Xihua University

Curated by ChEMBL
LigandPNGBDBM50339145(trans-7-oxo-6-(sulfooxy)-1,6-diazabicyclo[3.2.1]oc...)
Affinity DataIC50: 130nMAssay Description:Inhibition of Escherichia coli beta-lactamase OXA-1More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetOXA23 carbapenemase(Acinetobacter baumannii)
Xihua University

Curated by ChEMBL
LigandPNGBDBM50339145(trans-7-oxo-6-(sulfooxy)-1,6-diazabicyclo[3.2.1]oc...)
Affinity DataIC50: 2.32E+3nMAssay Description:Inhibition of Acinetobacter baumannii beta-lactamase OXA-23More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetMetallo-beta-lactamase type 2(Bacillus cereus)
CSIR-Institute of Himalayan Bioresource Technology

Curated by ChEMBL
LigandPNGBDBM50339145(trans-7-oxo-6-(sulfooxy)-1,6-diazabicyclo[3.2.1]oc...)
Affinity DataIC50: 141nMAssay Description:Inhibition of Bacillus cereus beta-lactamase IIMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/22/2024
Entry Details
PubMed
TargetCarbapenem-hydrolyzing beta-lactamase KPC(Klebsiella oxytoca)
Xihua University

Curated by ChEMBL
LigandPNGBDBM50339145(trans-7-oxo-6-(sulfooxy)-1,6-diazabicyclo[3.2.1]oc...)
Affinity DataKi:  11nMAssay Description:Inhibition of recombinant Escherichia coli KPC-2 using nitrocefin as substrate preincubated for 10 mins followed by substrate addition and measured e...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/13/2021
Entry Details Article
PubMed
TargetOXA23 carbapenemase(Acinetobacter baumannii)
Xihua University

Curated by ChEMBL
LigandPNGBDBM50339145(trans-7-oxo-6-(sulfooxy)-1,6-diazabicyclo[3.2.1]oc...)
Affinity DataKi:  1.70E+3nMAssay Description:Inhibition of Acinetobacter baumannii OXA-23 using nitrocefin as substrate preincubated for 10 mins followed by substrate addition measured every 10 ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/13/2021
Entry Details Article
PubMed
TargetBeta-lactamase(Enterobacter cloacae)
Novexel

Curated by ChEMBL
LigandPNGBDBM50339145(trans-7-oxo-6-(sulfooxy)-1,6-diazabicyclo[3.2.1]oc...)
Affinity DataKi:  7.70E+3nMAssay Description:Inhibition of Enterobacter cloacae beta-lactamase P99 after 5 seconds incubation with nitrocefin substrate by spectrophotometryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/24/2011
Entry Details Article
PubMed
TargetVIM-1 metallo-beta-lactamase(Pseudomonas aeruginosa (g-Proteobacteria))
Qpex Biopharma

Curated by ChEMBL
LigandPNGBDBM50339145(trans-7-oxo-6-(sulfooxy)-1,6-diazabicyclo[3.2.1]oc...)
Affinity DataKi: >4.00E+4nMAssay Description:Inhibition of recombinant Escherichia coli VIM-1 using nitrocefin as substrate preincubated for 10 mins followed by substrate addition measured every...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/13/2021
Entry Details Article
PubMed