Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 359.3 BDBM466992

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 (Klebsiella pneumoniae)	BDBM466992 ((2S)-2-[[(2S,5R)-2-[tert-butoxycarbonylamino)methy...) Show SMILES CC1=C[C@@H]2CN([C@@H]1CNC(=O)OC(C)(C)C)C(=O)N2O[C@@H](F)C(O)=O |r,t:1| Show InChI InChI=1S/C15H22FN3O6/c1-8-5-9-7-18(14(23)19(9)25-11(16)12(20)21)10(8)6-17-13(22)24-15(2,3)4/h5,9-11H,6-7H2,1-4H3,(H,17,22)(H,20,21)/t9?,10-,11-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	220	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)	BDBM466992 ((2S)-2-[[(2S,5R)-2-[tert-butoxycarbonylamino)methy...) Show SMILES CC1=C[C@@H]2CN([C@@H]1CNC(=O)OC(C)(C)C)C(=O)N2O[C@@H](F)C(O)=O |r,t:1| Show InChI InChI=1S/C15H22FN3O6/c1-8-5-9-7-18(14(23)19(9)25-11(16)12(20)21)10(8)6-17-13(22)24-15(2,3)4/h5,9-11H,6-7H2,1-4H3,(H,17,22)(H,20,21)/t9?,10-,11-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	940	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 (Escherichia coli)	BDBM466992 ((2S)-2-[[(2S,5R)-2-[tert-butoxycarbonylamino)methy...) Show SMILES CC1=C[C@@H]2CN([C@@H]1CNC(=O)OC(C)(C)C)C(=O)N2O[C@@H](F)C(O)=O |r,t:1| Show InChI InChI=1S/C15H22FN3O6/c1-8-5-9-7-18(14(23)19(9)25-11(16)12(20)21)10(8)6-17-13(22)24-15(2,3)4/h5,9-11H,6-7H2,1-4H3,(H,17,22)(H,20,21)/t9?,10-,11-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.40E+4	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