BDBM466981 (2S)-2-(((2S,5R)-2-((((S)-4,4-difluoropyrrolidin-2-yl)methoxy)carbamoyl)-3-methyl-7-oxo-1,6-diazabicyclo[3.2.1]oct-3-en-6-yl)oxy)-2-fluoroacetic acid TFA salt::US10800778, Example 63

SMILES CC1=C[C@@H]2CN([C@@H]1C(=O)NOC[C@@H]1CC(F)(F)CN1)C(=O)N2O[C@@H](F)C(O)=O

InChI Key InChIKey=QEEMJZXDEIFDDR-UHFFFAOYSA-N

Data  3 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 3 hits for monomerid = 466981   

TargetBeta-lactamase TEM(Escherichia coli)
Entasis Therapeutics

US Patent
LigandPNGBDBM466981((2S)-2-(((2S,5R)-2-((((S)-4,4-difluoropyrrolidin-2...)
Affinity DataIC50: 110nMAssay Description:A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/1/2021
Entry Details
Go to US Patent

TargetBeta-lactamase(Escherichia coli (strain K12))
Entasis Therapeutics

US Patent
LigandPNGBDBM466981((2S)-2-(((2S,5R)-2-((((S)-4,4-difluoropyrrolidin-2...)
Affinity DataIC50: 40nMAssay Description:A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/1/2021
Entry Details
Go to US Patent

TargetBeta-lactamase(Pseudomonas aeruginosa (g-Proteobacteria))
Entasis Therapeutics

US Patent
LigandPNGBDBM466981((2S)-2-(((2S,5R)-2-((((S)-4,4-difluoropyrrolidin-2...)
Affinity DataIC50: 230nMAssay Description:A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/1/2021
Entry Details
Go to US Patent