null
SMILES: [H][C@]12S[C@@](C)(CSc3nc4ccccc4s3)[C@@H](N1C(=O)[C@H]2Br)C(O)=O
InChI Key: InChIKey=WOFAABWEQYFPBT-HMDURAKOSA-N
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 SHV-1 (Klebsiella pneumoniae (Enterobacteria)) | BDBM50212643 (CHEMBL308516) | PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | n/a | n/a | 141 | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Assay Description Inhibitory activity against Escherichia coli HA208 Class-III SHV-1 type beta-lactamase enzyme | Citation and Details BindingDB Entry DOI: 10.7270/Q2ZW1P2T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Metallo-beta-lactamase type 2 (Bacteroides fragilis) | BDBM50212643 (CHEMBL308516) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | n/a | n/a | 6.74 | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Assay Description Inhibitory activity against Bacteroides fragilis 88854 Class-I beta-lactamase enzyme | Citation and Details BindingDB Entry DOI: 10.7270/Q2ZW1P2T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-lactamase BRO-1 (Moraxella catarrhalis) | BDBM50212643 (CHEMBL308516) | UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | n/a | n/a | 56.1 | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Assay Description Inhibitory activity against Branhamella catarrhalis 89001 Class-III BRO-1 type beta-lactamase enzyme | Citation and Details BindingDB Entry DOI: 10.7270/Q2ZW1P2T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-lactamase (Proteus mirabilis) | BDBM50212643 (CHEMBL308516) | UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | n/a | n/a | 2.25 | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Assay Description Inhibitory activity against Proteus vulgaris HJ33C Class-I beta-lactamase enzyme | Citation and Details BindingDB Entry DOI: 10.7270/Q2ZW1P2T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-lactamase (Enterobacter cloacae) | BDBM50212643 (CHEMBL308516) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | n/a | n/a | 3.59E+3 | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Assay Description Inhibitory activity against Enterobacter cloacae HC8 Class-I beta-lactamase enzyme type P99 | Citation and Details BindingDB Entry DOI: 10.7270/Q2ZW1P2T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-lactamase TEM (Escherichia coli) | BDBM50212643 (CHEMBL308516) | PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | n/a | n/a | 35.9 | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Assay Description Inhibitory activity against Escherichia coli HA58R Class-III TEM-1 type beta-lactamase enzyme | Citation and Details BindingDB Entry DOI: 10.7270/Q2ZW1P2T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-lactamase (Staphylococcus aureus) | BDBM50212643 (CHEMBL308516) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | n/a | n/a | 71.8 | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Assay Description Inhibitory activity against Staphylococcus aureus CJ8 beta-lactamase enzyme | Citation and Details BindingDB Entry DOI: 10.7270/Q2ZW1P2T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-lactamase (Klebsiella oxytoca) | BDBM50212643 (CHEMBL308516) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | n/a | n/a | 1.41E+3 | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Assay Description Inhibitory activity against Klebsiella oxytoca HC7 Class-IV K1 type beta-lactamase enzyme | Citation and Details BindingDB Entry DOI: 10.7270/Q2ZW1P2T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-lactamase OXA-1 (Escherichia coli (Enterobacteria)) | BDBM50212643 (CHEMBL308516) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | n/a | n/a | 1.41E+3 | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Assay Description Inhibitory activity against Escherichia coli HA209 Class-V OXA-1 type beta-lactamase enzyme | Citation and Details BindingDB Entry DOI: 10.7270/Q2ZW1P2T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-lactamase (Citrobacter freundii) | BDBM50212643 (CHEMBL308516) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | n/a | n/a | 5.61E+3 | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Assay Description Inhibitory activity against Citrobacter freundii 87470 Class-I beta-lactamase enzyme | Citation and Details BindingDB Entry DOI: 10.7270/Q2ZW1P2T | |||||||||||
More data for this Ligand-Target Pair |