BDBM50076681 CHEMBL6469::Sodium; (2S,3S,5R,6R)-3-((Z)-2-cyano-vinyl)-6-hydroxymethyl-3-methyl-4,4,7-trioxo-4lambda*6*-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylate
SMILES: C[C@]1(\C=C/C#N)[C@@H](N2[C@@H]([C@H](CO)C2=O)S1(=O)=O)C([O-])=O
InChI Key: InChIKey=NZNHTQCXWOAKDT-QORJOZBASA-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 (TEM-1) (Escherichia coli) | BDBM50076681 (CHEMBL6469 | Sodium; (2S,3S,5R,6R)-3-((Z)-2-cyano-...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research Curated by ChEMBL | Assay Description Inhibitory activity of the compound against TEM-1 (class A) beta-lactamase | Bioorg Med Chem Lett 9: 997-1002 (1999) BindingDB Entry DOI: 10.7270/Q2PK0FBJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-lactamase AmpC (Escherichia coli) | BDBM50076681 (CHEMBL6469 | Sodium; (2S,3S,5R,6R)-3-((Z)-2-cyano-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 270 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research Curated by ChEMBL | Assay Description Inhibitory activity of the compound against AmpC (class C) beta-lactamase | Bioorg Med Chem Lett 9: 997-1002 (1999) BindingDB Entry DOI: 10.7270/Q2PK0FBJ | |||||||||||
More data for this Ligand-Target Pair |