Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 365.3 BDBM466985

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 3 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Beta-lactamase (Escherichia coli)	BDBM466985 ((2S)-2-fluoro-2-[[(2S,5R)-3-methyl-7-oxo-2-(pyrazi...) Show SMILES CC1=C[C@@H]2CN([C@@H]1C(=O)NCc1cnccn1)C(=O)N2O[C@@H](F)C(O)=O |r,t:1| Show InChI InChI=1S/C15H16FN5O5/c1-8-4-10-7-20(15(25)21(10)26-12(16)14(23)24)11(8)13(22)19-6-9-5-17-2-3-18-9/h2-5,10-12H,6-7H2,1H3,(H,19,22)(H,23,24)/t10?,11-,12+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	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) BindingDB Entry DOI: 10.7270/Q2DF6V9G
					More data for this Ligand-Target Pair
Beta-lactamase (Klebsiella pneumoniae)	BDBM466985 ((2S)-2-fluoro-2-[[(2S,5R)-3-methyl-7-oxo-2-(pyrazi...) Show SMILES CC1=C[C@@H]2CN([C@@H]1C(=O)NCc1cnccn1)C(=O)N2O[C@@H](F)C(O)=O |r,t:1| Show InChI InChI=1S/C15H16FN5O5/c1-8-4-10-7-20(15(25)21(10)26-12(16)14(23)24)11(8)13(22)19-6-9-5-17-2-3-18-9/h2-5,10-12H,6-7H2,1H3,(H,19,22)(H,23,24)/t10?,11-,12+/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	110	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) BindingDB Entry DOI: 10.7270/Q2DF6V9G
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM466985 ((2S)-2-fluoro-2-[[(2S,5R)-3-methyl-7-oxo-2-(pyrazi...) Show SMILES CC1=C[C@@H]2CN([C@@H]1C(=O)NCc1cnccn1)C(=O)N2O[C@@H](F)C(O)=O |r,t:1| Show InChI InChI=1S/C15H16FN5O5/c1-8-4-10-7-20(15(25)21(10)26-12(16)14(23)24)11(8)13(22)19-6-9-5-17-2-3-18-9/h2-5,10-12H,6-7H2,1H3,(H,19,22)(H,23,24)/t10?,11-,12+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	180	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) BindingDB Entry DOI: 10.7270/Q2DF6V9G
					More data for this Ligand-Target Pair