Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Beta-lactamase SHV-1 (265/265 = 100%)† (Klebsiella pneumoniae (Enterobacteria)) | BDBM50053173 ((2S,3S,5R)-3-Methyl-4,4,7-trioxo-3-[1,2,3]triazol-...) | PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 220 | n/a | 30 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Case Western Reserve University | Assay Description Steady state kinetics were performed on an Agilent 8453 diode array spectrophotometer in 10 mM phosphate-buffered saline (pH 7.4). IC50, defined as t... | Biochemistry 54: 734-43 (2015) Article DOI: 10.1021/bi501197t BindingDB Entry DOI: 10.7270/Q2736PNW | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Beta-lactamase (263/265 > 99%)† (Klebsiella pneumoniae) | BDBM50053173 ((2S,3S,5R)-3-Methyl-4,4,7-trioxo-3-[1,2,3]triazol-...) | PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Health Dr. Ricardo Jorge Av. Padre Cruz Curated by ChEMBL | Assay Description Inhibition of Klebsiella pneumoniae Beta-Lactamase SHV-72 | Antimicrob Agents Chemother 52: 1806-11 (2008) Article DOI: 10.1128/AAC.01381-07 BindingDB Entry DOI: 10.7270/Q2TM7B93 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Beta-lactamase SHV-1 (265/265 = 100%)† (Klebsiella pneumoniae (Enterobacteria)) | BDBM50053173 ((2S,3S,5R)-3-Methyl-4,4,7-trioxo-3-[1,2,3]triazol-...) | PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Health Dr. Ricardo Jorge Av. Padre Cruz Curated by ChEMBL | Assay Description Inhibition of Klebsiella pneumoniae Beta-Lactamase SHV-1 | Antimicrob Agents Chemother 52: 1806-11 (2008) Article DOI: 10.1128/AAC.01381-07 BindingDB Entry DOI: 10.7270/Q2TM7B93 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Beta-lactamase SHV-1 (265/265 = 100%)† (Klebsiella pneumoniae (Enterobacteria)) | BDBM50053173 ((2S,3S,5R)-3-Methyl-4,4,7-trioxo-3-[1,2,3]triazol-...) | PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PDB | n/a | n/a | 133 | 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 | 3D Structure (crystal) | ||||||||||||
Beta-lactamase SHV-1 (265/265 = 100%)† (Escherichia coli) | BDBM50053173 ((2S,3S,5R)-3-Methyl-4,4,7-trioxo-3-[1,2,3]triazol-...) | PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PDB US Patent | n/a | n/a | 222 | n/a | n/a | n/a | n/a | 7.0 | 37 |
NABRIVA THERAPEUTICS AG US Patent | Assay Description The inhibitory concentrations (IC50, [uM]) of the beta -lactamase inhibitors against purified TEM-1, SHV-1 and AmpC beta -lactamases are assessed by ... | US Patent US9120808 (2015) BindingDB Entry DOI: 10.7270/Q2Q81BT5 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Beta-lactamase SHV-1 (265/265 = 100%)† (Klebsiella pneumoniae (Enterobacteria)) | BDBM50053173 ((2S,3S,5R)-3-Methyl-4,4,7-trioxo-3-[1,2,3]triazol-...) | PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 222 | n/a | n/a | n/a | n/a | n/a | n/a |
Lek Pharmaceuticals d.d. Curated by ChEMBL | Assay Description Inhibition of Escherichia coli SHV1 | J Med Chem 50: 4113-21 (2007) Article DOI: 10.1021/jm0703237 BindingDB Entry DOI: 10.7270/Q2FF3T5F | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |