BDBM50115621 (2-(thiophen-2-yl)acetamido)methylboronic acid::Acylglycineboronic acid, 11::CHEMBL320049::N-2-THIOPHEN-2-YL-ACETAMIDE BORONIC ACID::N-dihydroxyBoranylmethyl-2-thiophen-2-yl-acetamide
SMILES: OB(O)CNC(=O)Cc1cccs1
InChI Key: InChIKey=VXAPSUDMBNWYNC-UHFFFAOYSA-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 AmpC (Escherichia coli) | BDBM50115621 ((2-(thiophen-2-yl)acetamido)methylboronic acid | A...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL DrugBank PC cid PC sid PDB UniChem | PDB Article PubMed | 320 | n/a | n/a | n/a | n/a | n/a | n/a | 7.0 | n/a |
Northwestern University | Assay Description Enzyme inhibition assay using AmpC or TEM-1 from escherichia coli. | Chem Biol 8: 17-31 (2001) Article DOI: 10.1016/S1074-5521(00)00052-1 BindingDB Entry DOI: 10.7270/Q2CC0Z3R | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Beta-lactamase AmpC (Escherichia coli) | BDBM50115621 ((2-(thiophen-2-yl)acetamido)methylboronic acid | A...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL DrugBank PC cid PC sid PDB UniChem | PDB PubMed | 320 | 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 (Staphylococcus aureus) | BDBM50115621 ((2-(thiophen-2-yl)acetamido)methylboronic acid | A...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL DrugBank PC cid PC sid PDB UniChem | Article PubMed | 6.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | 7.0 | n/a |
Northwestern University | Assay Description Enzyme inhibition assay using AmpC or TEM-1 from escherichia coli. | Chem Biol 8: 17-31 (2001) Article DOI: 10.1016/S1074-5521(00)00052-1 BindingDB Entry DOI: 10.7270/Q2CC0Z3R | |||||||||||
More data for this Ligand-Target Pair |