BDBM466983 (2S)-2-fluoro-2-[[(2S,5R)-2-[2-(methanesulfonamido)ethylcarbamoyl]-3-methyl-7-oxo-1,6-diazabicyclo[3.2.1]oct-3-en-6-yl]oxy]acetic acid lithium salt::US10800778, Example 67
SMILES: CC1=C[C@@H]2CN([C@@H]1C(=O)NCCNS(C)(=O)=O)C(=O)N2O[C@@H](F)C(O)=O
InChI Key: InChIKey=VRAFEQHIWHNGLC-CBMCFHRWSA-N
Data: 3 IC50
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Bacterial beta-lactamase TEM (Escherichia coli) | BDBM466983 ((2S)-2-fluoro-2-[[(2S,5R)-2-[2-(methanesulfonamido...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 64 | n/a | n/a | n/a | n/a | n/a | n/a |
Entasis Therapeutics Limited US Patent | Assay 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... | US Patent US10800778 (2020) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-lactamase (Klebsiella pneumoniae) | BDBM466983 ((2S)-2-fluoro-2-[[(2S,5R)-2-[2-(methanesulfonamido...) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 340 | n/a | n/a | n/a | n/a | n/a | n/a |
Entasis Therapeutics Limited US Patent | Assay 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... | US Patent US10800778 (2020) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-lactamase AmpC (Escherichia coli) | BDBM466983 ((2S)-2-fluoro-2-[[(2S,5R)-2-[2-(methanesulfonamido...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 7.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Entasis Therapeutics Limited US Patent | Assay 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... | US Patent US10800778 (2020) | |||||||||||
More data for this Ligand-Target Pair |