BDBM50099189 (2S,5R)-6-((E)-3-Methoxycarbonyl-allyl)-3,3-dimethyl-4,4,7-trioxo-4lambda*6*-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid::CHEMBL6309
SMILES: COC(=O)\C=C\CC1[C@@H]2N([C@@H](C(O)=O)C(C)(C)S2(=O)=O)C1=O
InChI Key: InChIKey=WHIIGHHQWOXKEP-ASQRRCTNSA-N
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) | BDBM50099189 ((2S,5R)-6-((E)-3-Methoxycarbonyl-allyl)-3,3-dimeth...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 8.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research Curated by ChEMBL | Assay Description In vitro inhibitory concentration against TEM-1 enzyme | Bioorg Med Chem Lett 11: 997-1000 (2001) BindingDB Entry DOI: 10.7270/Q2W958G8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-lactamase type II (Bacteroides fragilis) | BDBM50099189 ((2S,5R)-6-((E)-3-Methoxycarbonyl-allyl)-3,3-dimeth...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research Curated by ChEMBL | Assay Description In vitro inhibitory concentration against CCRA enzyme | Bioorg Med Chem Lett 11: 997-1000 (2001) BindingDB Entry DOI: 10.7270/Q2W958G8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-lactamase AmpC (Escherichia coli) | BDBM50099189 ((2S,5R)-6-((E)-3-Methoxycarbonyl-allyl)-3,3-dimeth...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 2.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research Curated by ChEMBL | Assay Description In vitro inhibitory concentration against AmpC enzyme | Bioorg Med Chem Lett 11: 997-1000 (2001) BindingDB Entry DOI: 10.7270/Q2W958G8 | |||||||||||
More data for this Ligand-Target Pair |