BDBM50191390 (5R),(6Z)-6-(5,5-dioxo-4,5,6,7-tetrahydro-5'6-pyrazolo[5,1-c][1,4]thiazin-2-ylmethylene)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid sodium salt::CHEMBL378119
SMILES: [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cc2CS(=O)(=O)CCn2n1
InChI Key: InChIKey=IBSSBUWAVGFIIX-TWLAMCEISA-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 (TEM-1) (Escherichia coli) | BDBM50191390 ((5R),(6Z)-6-(5,5-dioxo-4,5,6,7-tetrahydro-5'6-pyra...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research Curated by ChEMBL | Assay Description Inhibition of Escherichia coli TEM1 | J Med Chem 49: 4623-37 (2006) Article DOI: 10.1021/jm060021p BindingDB Entry DOI: 10.7270/Q2TX3F1B | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Imipenem-hydrolyzing beta-lactamase (Enterobacter cloacae) | BDBM50191390 ((5R),(6Z)-6-(5,5-dioxo-4,5,6,7-tetrahydro-5'6-pyra...) | MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 56 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research Curated by ChEMBL | Assay Description Inhibition of Enterobacter cloacae Imi1 | J Med Chem 49: 4623-37 (2006) Article DOI: 10.1021/jm060021p BindingDB Entry DOI: 10.7270/Q2TX3F1B | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-lactamase (Enterobacter cloacae) | BDBM50191390 ((5R),(6Z)-6-(5,5-dioxo-4,5,6,7-tetrahydro-5'6-pyra...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research Curated by ChEMBL | Assay Description Inhibition of Enterobacter cloacae AmpC | J Med Chem 49: 4623-37 (2006) Article DOI: 10.1021/jm060021p BindingDB Entry DOI: 10.7270/Q2TX3F1B | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-lactamase type II (Bacteroides fragilis) | BDBM50191390 ((5R),(6Z)-6-(5,5-dioxo-4,5,6,7-tetrahydro-5'6-pyra...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research Curated by ChEMBL | Assay Description Inhibition of Bacteroides fragilis CcrA | J Med Chem 49: 4623-37 (2006) Article DOI: 10.1021/jm060021p BindingDB Entry DOI: 10.7270/Q2TX3F1B | |||||||||||
More data for this Ligand-Target Pair |