Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 311.2 BDBM50284785

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 (Enterobacter cloacae)	BDBM50284785 ((6R,7Z)-3-[(acetyloxy)methyl]-7-(2-oxido-2-oxoethy...) Show SMILES CC(=O)OCC1=C(N2[C@H](SC1)\C(=C/C([O-])=O)C2=O)C([O-])=O |t:5| Show InChI InChI=1S/C12H11NO7S/c1-5(14)20-3-6-4-21-11-7(2-8(15)16)10(17)13(11)9(6)12(18)19/h2,11H,3-4H2,1H3,(H,15,16)(H,18,19)/p-2/b7-2-/t11-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against beta-Lactamase enzyme derived from Enterobacter cloacae SC 12368 E-2				Bioorg Med Chem Lett 5: 1513-1518 (1995) Article DOI: 10.1016/0960-894X(95)00249-S BindingDB Entry DOI: 10.7270/Q2ZW1MDG
					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	BDBM50284785 ((6R,7Z)-3-[(acetyloxy)methyl]-7-(2-oxido-2-oxoethy...) Show SMILES CC(=O)OCC1=C(N2[C@H](SC1)\C(=C/C([O-])=O)C2=O)C([O-])=O |t:5| Show InChI InChI=1S/C12H11NO7S/c1-5(14)20-3-6-4-21-11-7(2-8(15)16)10(17)13(11)9(6)12(18)19/h2,11H,3-4H2,1H3,(H,15,16)(H,18,19)/p-2/b7-2-/t11-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against beta-Lactamase enzyme derived from Enterobacter cloacae SC 12368 E-2				Bioorg Med Chem Lett 5: 1513-1518 (1995) Article DOI: 10.1016/0960-894X(95)00249-S BindingDB Entry DOI: 10.7270/Q2ZW1MDG
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50284785 ((6R,7Z)-3-[(acetyloxy)methyl]-7-(2-oxido-2-oxoethy...) Show SMILES CC(=O)OCC1=C(N2[C@H](SC1)\C(=C/C([O-])=O)C2=O)C([O-])=O |t:5| Show InChI InChI=1S/C12H11NO7S/c1-5(14)20-3-6-4-21-11-7(2-8(15)16)10(17)13(11)9(6)12(18)19/h2,11H,3-4H2,1H3,(H,15,16)(H,18,19)/p-2/b7-2-/t11-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against beta-Lactamase enzyme derived from Escherichia coli WC3310 TEM-2				Bioorg Med Chem Lett 5: 1513-1518 (1995) Article DOI: 10.1016/0960-894X(95)00249-S BindingDB Entry DOI: 10.7270/Q2ZW1MDG
					More data for this Ligand-Target Pair