BDBM50079693 CHEMBL59053::Sodium; (2S,3R)-6-[1-methoxycarbonyl-meth-(Z)-ylidene]-3-methyl-3-[2-(1-methyl-1H-tetrazol-5-ylsulfanyl)-acetoxymethyl]-4,4,7-trioxo-4lambda*6*-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylate
SMILES: COC(=O)\C=C1/C2N([C@@H](C([O-])=O)[C@](C)(COC(=O)CSc3nnnn3C)S2(=O)=O)C1=O
InChI Key: InChIKey=WOEKVBCDFRSHHE-VSOFOQCTSA-M
Data: 3 IC50
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) | BDBM50079693 (CHEMBL59053 | Sodium; (2S,3R)-6-[1-methoxycarbonyl...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 2.37E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Southern Methodist University Curated by ChEMBL | Assay Description Inhibitory activity against serine Beta-lactamase TEM derived from Staphylococcus aureus | Bioorg Med Chem Lett 9: 1997-2002 (1999) BindingDB Entry DOI: 10.7270/Q2TQ60RF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-lactamase (Staphylococcus aureus) | BDBM50079693 (CHEMBL59053 | Sodium; (2S,3R)-6-[1-methoxycarbonyl...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1.32E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Southern Methodist University Curated by ChEMBL | Assay Description Inhibitory activity against serine Beta-lactamase derived from Staphylococcus aureus | Bioorg Med Chem Lett 9: 1997-2002 (1999) BindingDB Entry DOI: 10.7270/Q2TQ60RF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-lactamase (Staphylococcus aureus) | BDBM50079693 (CHEMBL59053 | Sodium; (2S,3R)-6-[1-methoxycarbonyl...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 9.40E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Southern Methodist University Curated by ChEMBL | Assay Description Inhibitory activity against serine Beta-lactamase derived from Staphylococcus aureus | Bioorg Med Chem Lett 9: 1997-2002 (1999) BindingDB Entry DOI: 10.7270/Q2TQ60RF | |||||||||||
More data for this Ligand-Target Pair |