BDBM50149468 CHEMBL263746::Sodium; (R)-6-[1-(5,6-dihydro-8H-imidazo[2,1-c][1,4]oxazin-3-yl)-meth-(Z)-ylidene]-7-oxo-4-thia-1-aza-bicyclo[3.2.0]hept-2-ene-2-carboxylate
SMILES: [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cnc2COCCn12
InChI Key: InChIKey=MTRYCRPKNWRHLE-CPWLGJMPSA-M
Data: 4 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) | BDBM50149468 (CHEMBL263746 | Sodium; (R)-6-[1-(5,6-dihydro-8H-im...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research Curated by ChEMBL | Assay Description In vitro inhibitory activity against Class C (Amp-C) beta-Lactamases | J Med Chem 47: 3674-88 (2004) Article DOI: 10.1021/jm049903j BindingDB Entry DOI: 10.7270/Q2MK6CCT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-lactamase type II (Bacteroides fragilis) | BDBM50149468 (CHEMBL263746 | Sodium; (R)-6-[1-(5,6-dihydro-8H-im...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 66 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research Curated by ChEMBL | Assay Description In vitro inhibitory activity against Class B (CCRA) beta-Lactamases | J Med Chem 47: 3674-88 (2004) Article DOI: 10.1021/jm049903j BindingDB Entry DOI: 10.7270/Q2MK6CCT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
IMI-1 (Enterobacter cloacae) | BDBM50149468 (CHEMBL263746 | Sodium; (R)-6-[1-(5,6-dihydro-8H-im...) | KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research Curated by ChEMBL | Assay Description In vitro inhibitory activity against Class A (Imi-1) beta-Lactamases | J Med Chem 47: 3674-88 (2004) Article DOI: 10.1021/jm049903j BindingDB Entry DOI: 10.7270/Q2MK6CCT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-lactamase (TEM-1) (Escherichia coli) | BDBM50149468 (CHEMBL263746 | Sodium; (R)-6-[1-(5,6-dihydro-8H-im...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research Curated by ChEMBL | Assay Description In vitro inhibitory activity against Class A (TEM-1) beta-Lactamases | J Med Chem 47: 3674-88 (2004) Article DOI: 10.1021/jm049903j BindingDB Entry DOI: 10.7270/Q2MK6CCT | |||||||||||
More data for this Ligand-Target Pair |