BDBM466967 US10800778, Example 8::{[(2S,5R)-2-carbamoyl-3-methyl-7-oxo-1,6-diazabicyclo[3.2.1]oct-3-en-6-yl]oxy}(difluoro)acetic acid lithium salt

SMILES CC1=C[C@@H]2CN([C@@H]1C(N)=O)C(=O)N2OC(F)(F)C(O)=O

InChI Key InChIKey=QYPIGCMIMCHYCS-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 = 466967   

TargetBeta-lactamase TEM(Escherichia coli)
Entasis Therapeutics

US Patent
LigandPNGBDBM466967({[(2S,5R)-2-carbamoyl-3-methyl-7-oxo-1,6-diazabicy...)
Affinity DataIC50: 1.5nMAssay 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
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TargetBeta-lactamase(Escherichia coli (strain K12))
Entasis Therapeutics

US Patent
LigandPNGBDBM466967({[(2S,5R)-2-carbamoyl-3-methyl-7-oxo-1,6-diazabicy...)
Affinity DataIC50: 12nMAssay 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
LigandPNGBDBM466967({[(2S,5R)-2-carbamoyl-3-methyl-7-oxo-1,6-diazabicy...)
Affinity DataIC50: 14nMAssay 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