BDBM50088807 CHEMBL435467::Sodium; (R)-3,4-dimethyl-5,5,8-trioxo-7-[1-pyridin-2-yl-meth-(Z)-ylidene]-5lambda*6*-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylate

SMILES: CC1C(C)=C(N2[C@@H](\C(=C/c3ccccn3)C2=O)S1(=O)=O)C([O-])=O

InChI Key: InChIKey=GMTDEGHLQBWALG-WNRROLJZSA-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 = 50088807   

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 (Staphylococcus aureus)	BDBM50088807 (CHEMBL435467 | Sodium; (R)-3,4-dimethyl-5,5,8-trio...) Show SMILES CC1C(C)=C(N2[C@@H](\C(=C/c3ccccn3)C2=O)S1(=O)=O)C([O-])=O |c:3| Show InChI InChI=1S/C15H14N2O5S/c1-8-9(2)23(21,22)14-11(7-10-5-3-4-6-16-10)13(18)17(14)12(8)15(19)20/h3-7,9,14H,1-2H3,(H,19,20)/p-1/b11-7-/t9?,14-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.41E+4	n/a	n/a	n/a	n/a	n/a	n/a
Southern Methodist University Curated by ChEMBL					Assay Description The compound was evaluated for inhibition against Beta-lactamase TEM derived from Staphylococcus aureus				Bioorg Med Chem Lett 10: 847-51 (2000) BindingDB Entry DOI: 10.7270/Q2NG4PVB
					More data for this Ligand-Target Pair
Beta-lactamase (Staphylococcus aureus)	BDBM50088807 (CHEMBL435467 | Sodium; (R)-3,4-dimethyl-5,5,8-trio...) Show SMILES CC1C(C)=C(N2[C@@H](\C(=C/c3ccccn3)C2=O)S1(=O)=O)C([O-])=O |c:3| Show InChI InChI=1S/C15H14N2O5S/c1-8-9(2)23(21,22)14-11(7-10-5-3-4-6-16-10)13(18)17(14)12(8)15(19)20/h3-7,9,14H,1-2H3,(H,19,20)/p-1/b11-7-/t9?,14-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.02E+5	n/a	n/a	n/a	n/a	n/a	n/a
Southern Methodist University Curated by ChEMBL					Assay Description The compound was evaluated for inhibition against Beta-lactamase derived from Staphylococcus aureus				Bioorg Med Chem Lett 10: 847-51 (2000) BindingDB Entry DOI: 10.7270/Q2NG4PVB
					More data for this Ligand-Target Pair
Beta-lactamase class C (Enterobacter cloacae)	BDBM50088807 (CHEMBL435467 | Sodium; (R)-3,4-dimethyl-5,5,8-trio...) Show SMILES CC1C(C)=C(N2[C@@H](\C(=C/c3ccccn3)C2=O)S1(=O)=O)C([O-])=O |c:3| Show InChI InChI=1S/C15H14N2O5S/c1-8-9(2)23(21,22)14-11(7-10-5-3-4-6-16-10)13(18)17(14)12(8)15(19)20/h3-7,9,14H,1-2H3,(H,19,20)/p-1/b11-7-/t9?,14-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Southern Methodist University Curated by ChEMBL					Assay Description Inhibition of Class C beta-lactamase from E. cloacae strain P99				Bioorg Med Chem Lett 10: 847-51 (2000) BindingDB Entry DOI: 10.7270/Q2NG4PVB
					More data for this Ligand-Target Pair