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 (357/358 > 99%)† (Escherichia coli) | BDBM26139 (1-benzothiophen-2-ylboranediol | 1-benzothiophen-2...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | 27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University Medical School Curated by ChEMBL | Assay Description Inhibitory activity against E. coli AmpC beta-lactamase. | J Med Chem 41: 4577-86 (1998) Article DOI: 10.1021/jm980343w BindingDB Entry DOI: 10.7270/Q22N51FX | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Beta-lactamase (357/358 > 99%)† (Escherichia coli) | BDBM26139 (1-benzothiophen-2-ylboranediol | 1-benzothiophen-2...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB PubMed | 27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University Curated by ChEMBL | Assay Description Binding affinity of the compound towards AmpC beta-lactamase binding site from Escherichia coli | J Med Chem 45: 3222-34 (2002) BindingDB Entry DOI: 10.7270/Q2CN737M | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Beta-lactamase (357/358 > 99%)† (Escherichia coli) | BDBM26139 (1-benzothiophen-2-ylboranediol | 1-benzothiophen-2...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University Medical School Curated by ChEMBL | Assay Description Compound was tested for its specificity against AmpC beta-lactamase | J Med Chem 41: 4577-86 (1998) Article DOI: 10.1021/jm980343w BindingDB Entry DOI: 10.7270/Q22N51FX | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Beta-lactamase (357/358 > 99%)† (Escherichia coli) | BDBM26139 (1-benzothiophen-2-ylboranediol | 1-benzothiophen-2...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB PubMed | n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University Curated by ChEMBL | Assay Description Inhibitory activity against beta-lactamase in the presence of 50 mM KPi concentration of buffer | J Med Chem 45: 1712-22 (2002) BindingDB Entry DOI: 10.7270/Q20C4WHD | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Beta-lactamase (357/358 > 99%)† (Escherichia coli) | BDBM26139 (1-benzothiophen-2-ylboranediol | 1-benzothiophen-2...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University Curated by ChEMBL | Assay Description Inhibitory activity against Amp C beta-Lactamase | J Med Chem 46: 4265-72 (2003) Article DOI: 10.1021/jm030266r BindingDB Entry DOI: 10.7270/Q29C6Z59 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Beta-lactamase (357/358 > 99%)† (Escherichia coli) | BDBM26139 (1-benzothiophen-2-ylboranediol | 1-benzothiophen-2...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB PubMed | n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University Curated by ChEMBL | Assay Description Inhibitory activity against beta-lactamase | J Med Chem 45: 1712-22 (2002) BindingDB Entry DOI: 10.7270/Q20C4WHD | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Beta-lactamase (357/358 > 99%)† (Escherichia coli) | BDBM26139 (1-benzothiophen-2-ylboranediol | 1-benzothiophen-2...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB PubMed | n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University Curated by ChEMBL | Assay Description Inhibitory activity against beta-lactamase in the presence of 5 mM KPi concentration of buffer | J Med Chem 45: 1712-22 (2002) BindingDB Entry DOI: 10.7270/Q20C4WHD | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Beta-lactamase (357/358 > 99%)† (Escherichia coli) | BDBM26139 (1-benzothiophen-2-ylboranediol | 1-benzothiophen-2...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB PubMed | n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University Curated by ChEMBL | Assay Description Inhibitory activity against beta-lactamase in the presence of 500 mMKPi concentration of buffer | J Med Chem 45: 1712-22 (2002) BindingDB Entry DOI: 10.7270/Q20C4WHD | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |