BDBM50021957 CHEMBL284273::Sodium; 3-(4,5-bis-methoxycarbonyl-[1,2,3]triazol-1-ylmethyl)-3-methyl-2,2,6-trioxo-2lambda*6*-thia-bicyclo[3.2.0]heptane-4-carboxylate
SMILES: COC(=O)c1nnn(C[C@@]2(C)[C@@H](C3C(CC3=O)S2(=O)=O)C([O-])=O)c1C(=O)OC
InChI Key: InChIKey=CJHINZCBCHTSOE-PRFJFZKWSA-M
Data: 1 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) | BDBM50021957 (CHEMBL284273 | Sodium; 3-(4,5-bis-methoxycarbonyl-...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibitory activity against Beta-lactamase from Bacillus sp. using penicillin G as substrate | J Med Chem 30: 1469-74 (1987) BindingDB Entry DOI: 10.7270/Q28G8JQ0 | |||||||||||
More data for this Ligand-Target Pair |