BDBM50033701 CHEMBL268632::Sodium; (R)-3-acetoxymethyl-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: CC(=O)OCC1=C(N2[C@@H](\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O
InChI Key: InChIKey=ITFVZKLBKASFHP-NYXMJBRJSA-M
Data: 6 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) | BDBM50033701 (CHEMBL268632 | Sodium; (R)-3-acetoxymethyl-5,5,8-t...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 4.02E+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 (TEM-1) (Escherichia coli) | BDBM50033701 (CHEMBL268632 | Sodium; (R)-3-acetoxymethyl-5,5,8-t...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 800 | 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 E. coli WC3310 | J Med Chem 38: 1022-34 (1995) BindingDB Entry DOI: 10.7270/Q29S1Q29 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-lactamase (Staphylococcus aureus) | BDBM50033701 (CHEMBL268632 | Sodium; (R)-3-acetoxymethyl-5,5,8-t...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 3.48E+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 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 (Enterobacter cloacae) | BDBM50033701 (CHEMBL268632 | Sodium; (R)-3-acetoxymethyl-5,5,8-t...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 25 | 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 class C (Enterobacter cloacae) | BDBM50033701 (CHEMBL268632 | Sodium; (R)-3-acetoxymethyl-5,5,8-t...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 498 | 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 | |||||||||||||
Beta-lactamase (Enterobacter cloacae) | BDBM50033701 (CHEMBL268632 | Sodium; (R)-3-acetoxymethyl-5,5,8-t...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 25 | 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 E. cloacae SC 12368 | J Med Chem 38: 1022-34 (1995) BindingDB Entry DOI: 10.7270/Q29S1Q29 | |||||||||||
More data for this Ligand-Target Pair |