BDBM50114514 CHEMBL44932::Sodium; (R)-3-[(E)-2-(2-guanidino-ethylcarbamoyl)-vinyl]-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: NC(=N)NCCNC(=O)C=CC1=C(N2[C@@H](C(=Cc3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O
InChI Key: InChIKey=UWMFUDIMSKDTJN-QGZVFWFLSA-M
Data: 2 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 AmpC (Escherichia coli) | BDBM50114514 (CHEMBL44932 | Sodium; (R)-3-[(E)-2-(2-guanidino-et...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 8.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Southern Methodist University Curated by ChEMBL | Assay Description Inhibitory activity against class A TEM-1 beta-lactamase | Bioorg Med Chem Lett 12: 1663-6 (2002) BindingDB Entry DOI: 10.7270/Q2MC8ZB3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-lactamase (Enterobacter cloacae) | BDBM50114514 (CHEMBL44932 | Sodium; (R)-3-[(E)-2-(2-guanidino-et...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 5.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Southern Methodist University Curated by ChEMBL | Assay Description Inhibitory activity against Class C beta-lactamase | Bioorg Med Chem Lett 12: 1663-6 (2002) BindingDB Entry DOI: 10.7270/Q2MC8ZB3 | |||||||||||
More data for this Ligand-Target Pair |