BDBM50033684 CHEMBL269657::Sodium; (R)-3-acetoxymethyl-7-[1-bromo-meth-(E)-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\Br)C2=O)S(=O)(=O)C1)C([O-])=O
InChI Key: InChIKey=IWSSJMHCOIGHBY-CYZOPGGISA-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 (TEM-1) (Escherichia coli) | BDBM50033684 (CHEMBL269657 | Sodium; (R)-3-acetoxymethyl-7-[1-br...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL 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) | BDBM50033684 (CHEMBL269657 | Sodium; (R)-3-acetoxymethyl-7-[1-br...) | PDB MMDB UniProtKB/SwissProt 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) | BDBM50033684 (CHEMBL269657 | Sodium; (R)-3-acetoxymethyl-7-[1-br...) | PDB MMDB UniProtKB/SwissProt 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 |