BDBM50076678 (2S,5R,6R)-6-Hydroxymethyl-3,3-dimethyl-4,4,7-trioxo-4lambda*6*-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid::(2S,5R,6R)-6-Hydroxymethyl-3,3-dimethyl-4,4,7-trioxo-4lambda*6*-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid anion::CHEMBL416561
SMILES: CC1(C)[C@@H](N2[C@@H]([C@H](CO)C2=O)S1(=O)=O)C(O)=O
InChI Key: InChIKey=ODGTYAIFNCCEHW-JCGDXUMPSA-N
Data: 6 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) | BDBM50076678 ((2S,5R,6R)-6-Hydroxymethyl-3,3-dimethyl-4,4,7-trio...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 1.16E+3 | 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: 991-6 (1999) BindingDB Entry DOI: 10.7270/Q2TB163Q | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-lactamase (TEM-1) (Escherichia coli) | BDBM50076678 ((2S,5R,6R)-6-Hydroxymethyl-3,3-dimethyl-4,4,7-trio...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 8 | 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: 991-6 (1999) BindingDB Entry DOI: 10.7270/Q2TB163Q | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-lactamase 2 (Bacillus cereus) | BDBM50076678 ((2S,5R,6R)-6-Hydroxymethyl-3,3-dimethyl-4,4,7-trio...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Southern Methodist University Curated by ChEMBL | Assay Description Beta-Lactamase Inhibition of metallo-beta-lactamase representative class B (L1) enzyme | Bioorg Med Chem Lett 14: 1299-304 (2004) Article DOI: 10.1016/j.bmcl.2003.12.037 BindingDB Entry DOI: 10.7270/Q22Z14ZG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-lactamase AmpC (Escherichia coli) | BDBM50076678 ((2S,5R,6R)-6-Hydroxymethyl-3,3-dimethyl-4,4,7-trio...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 3.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Southern Methodist University Curated by ChEMBL | Assay Description Beta-Lactamase inhibitory activity against representativeclass C (P99) serine enzyme | Bioorg Med Chem Lett 14: 1299-304 (2004) Article DOI: 10.1016/j.bmcl.2003.12.037 BindingDB Entry DOI: 10.7270/Q22Z14ZG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-lactamase (TEM-1) (Escherichia coli) | BDBM50076678 ((2S,5R,6R)-6-Hydroxymethyl-3,3-dimethyl-4,4,7-trio...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 650 | n/a | n/a | n/a | n/a | n/a | n/a |
Southern Methodist University Curated by ChEMBL | Assay Description Beta-Lactamase inhibitory activity against representative class A (TEM-1) serine enzyme | Bioorg Med Chem Lett 14: 1299-304 (2004) Article DOI: 10.1016/j.bmcl.2003.12.037 BindingDB Entry DOI: 10.7270/Q22Z14ZG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-lactamase L1 (Stenotrophomonas maltophilia) | BDBM50076678 ((2S,5R,6R)-6-Hydroxymethyl-3,3-dimethyl-4,4,7-trio...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 7.23E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Southern Methodist University Curated by ChEMBL | Assay Description Inhibition of class B (BCII) metallo-beta-lactamase representative enzyme | Bioorg Med Chem Lett 14: 1299-304 (2004) Article DOI: 10.1016/j.bmcl.2003.12.037 BindingDB Entry DOI: 10.7270/Q22Z14ZG | |||||||||||
More data for this Ligand-Target Pair |