BDBM50033689 CHEMBL8111::Sodium; (R)-3-acetoxymethyl-7-dichloromethylene-5,5,8-trioxo-5lambda*6*-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylate
SMILES: [#6]-[#6](=O)-[#8]-[#6]-[#6]-1=[#6](-[#7]-2-[#6@@H](\[#6](=[#6](\Cl)Cl)-[#6]-2=O)S(=O)(=O)[#6]-1)-[#6](-[#8-])=O
InChI Key: InChIKey=ZLZSKFBDQKKTSB-SNVBAGLBSA-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) | BDBM50033689 (CHEMBL8111 | Sodium; (R)-3-acetoxymethyl-7-dichlor...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 8.30E+3 | 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 (Enterobacter cloacae) | BDBM50033689 (CHEMBL8111 | Sodium; (R)-3-acetoxymethyl-7-dichlor...) | 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) | BDBM50033689 (CHEMBL8111 | Sodium; (R)-3-acetoxymethyl-7-dichlor...) | 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 E. cloacae SC 12368 | J Med Chem 38: 1022-34 (1995) BindingDB Entry DOI: 10.7270/Q29S1Q29 | |||||||||||
More data for this Ligand-Target Pair |