BDBM466966 US10800778, Example 5::{[(2S,5R)-2-carbamoyl-3-methyl-7-oxo-1,6-diazabicyclo[3.2.1]oct-3-en-6-yl]oxy}(fluoro)acetic acid lithium salt (mixture of diastereomers)

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

InChI Key InChIKey=HBJXCJGYADJSFE-HUDPQJTASA-N

Data  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 466966   

TargetBeta-lactamase TEM(Escherichia coli)
Entasis Therapeutics

US Patent
LigandPNGBDBM466966(US10800778, Example 5 | {[(2S,5R)-2-carbamoyl-3-me...)
Affinity DataIC50:  4.40nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetBeta-lactamase(Klebsiella pneumoniae)
Entasis Therapeutics

US Patent
LigandPNGBDBM466966(US10800778, Example 5 | {[(2S,5R)-2-carbamoyl-3-me...)
Affinity DataIC50:  17nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetBeta-lactamase(Escherichia coli)
Entasis Therapeutics

US Patent
LigandPNGBDBM466966(US10800778, Example 5 | {[(2S,5R)-2-carbamoyl-3-me...)
Affinity DataIC50:  20nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails US Patent