BDBM39809 Acylglycineboronic acid, 6
SMILES: OB(O)CNC(=O)Cc1ccccc1
InChI Key: InChIKey=WPZJZIUTEZTIJI-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) | BDBM39809 (Acylglycineboronic acid, 6) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid PDB UniChem | Article PubMed | 570 | 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 | |||||||||||||
Beta-lactamase (Staphylococcus aureus) | BDBM39809 (Acylglycineboronic acid, 6) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid PDB UniChem | Article PubMed | 1.38E+4 | 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 | |||||||||||||
D-alanyl-D-alanine carboxypeptidase (Actinomadura sp. (strain R39)) | BDBM39809 (Acylglycineboronic acid, 6) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid PDB UniChem | PDB Article PubMed | 1.25E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Li£ge Curated by ChEMBL | Assay Description Binding affinity to Actinomadura sp. R39 PBP | Bioorg Med Chem 20: 3915-24 (2012) Article DOI: 10.1016/j.bmc.2012.04.018 BindingDB Entry DOI: 10.7270/Q200034N | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
D-alanyl-D-alanine carboxypeptidase (Actinomadura sp. (strain R39)) | BDBM39809 (Acylglycineboronic acid, 6) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid PDB UniChem | PDB Article PubMed | n/a | n/a | 3.20E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Li£ge Curated by ChEMBL | Assay Description Inhibition of Actinomadura sp. R39 PBP using S2d as substrate incubated for 60 mins prior to substrate addition by DTNB-based spectrophotometry | Bioorg Med Chem 20: 3915-24 (2012) Article DOI: 10.1016/j.bmc.2012.04.018 BindingDB Entry DOI: 10.7270/Q200034N | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |