BDBM50033698 CHEMBL273744::Sodium; (R)-3-acetoxymethyl-7-[2-hydroxy-eth-(Z)-ylidene]-5,5,8-trioxo-5lambda*6*-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylate

SMILES: CC(=O)OCC1=C(N2[C@@H](\C(=C/CO)C2=O)S(=O)(=O)C1)C([O-])=O

InChI Key: InChIKey=BIUVASJLHVNNEP-GPWUBDCCSA-M

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50033698   

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
Beta-lactamase (TEM-1) (Escherichia coli)	BDBM50033698 (CHEMBL273744 | Sodium; (R)-3-acetoxymethyl-7-[2-hy...) Show SMILES CC(=O)OCC1=C(N2[C@@H](\C(=C/CO)C2=O)S(=O)(=O)C1)C([O-])=O |t:5| Show InChI InChI=1S/C12H13NO8S/c1-6(15)21-4-7-5-22(19,20)11-8(2-3-14)10(16)13(11)9(7)12(17)18/h2,11,14H,3-5H2,1H3,(H,17,18)/p-1/b8-2-/t11-/m1/s1	PDB B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Southern Methodist University Curated by ChEMBL					Assay Description The concentration of compound to inhibit beta-lactamase was measured on Escherichia coli WC3310				J Med Chem 38: 1022-34 (1995) BindingDB Entry DOI: 10.7270/Q29S1Q29
					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	BDBM50033698 (CHEMBL273744 | Sodium; (R)-3-acetoxymethyl-7-[2-hy...) Show SMILES CC(=O)OCC1=C(N2[C@@H](\C(=C/CO)C2=O)S(=O)(=O)C1)C([O-])=O |t:5| Show InChI InChI=1S/C12H13NO8S/c1-6(15)21-4-7-5-22(19,20)11-8(2-3-14)10(16)13(11)9(7)12(17)18/h2,11,14H,3-5H2,1H3,(H,17,18)/p-1/b8-2-/t11-/m1/s1	PDB MMDB B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Southern Methodist University Curated by ChEMBL					Assay Description The concentration of compound to inhibit beta-lactamase was measured on Enterobacter cloacae P99				J Med Chem 38: 1022-34 (1995) BindingDB Entry DOI: 10.7270/Q29S1Q29
					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	BDBM50033698 (CHEMBL273744 | Sodium; (R)-3-acetoxymethyl-7-[2-hy...) Show SMILES CC(=O)OCC1=C(N2[C@@H](\C(=C/CO)C2=O)S(=O)(=O)C1)C([O-])=O |t:5| Show InChI InChI=1S/C12H13NO8S/c1-6(15)21-4-7-5-22(19,20)11-8(2-3-14)10(16)13(11)9(7)12(17)18/h2,11,14H,3-5H2,1H3,(H,17,18)/p-1/b8-2-/t11-/m1/s1	PDB MMDB B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Southern Methodist University Curated by ChEMBL					Assay Description The concentration of compound to inhibit beta-lactamase was measured on Enterobacter cloacae SC 12368				J Med Chem 38: 1022-34 (1995) BindingDB Entry DOI: 10.7270/Q29S1Q29
					More data for this Ligand-Target Pair