BDBM50067885 4-CARBOXYPHENYLBORONIC ACID::4-Carboxyphenylboronicacid::4-boronobenzoic acid::4-phenylester boronic acid::Boronic acid derivative::CHEMBL82324
SMILES: OB(O)c1ccc(cc1)C(O)=O
InChI Key: InChIKey=SIAVMDKGVRXFAX-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) | BDBM50067885 (4-CARBOXYPHENYLBORONIC ACID | 4-Carboxyphenylboron...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 2.90E+3 | 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 AmpC (Escherichia coli) | BDBM50067885 (4-CARBOXYPHENYLBORONIC ACID | 4-Carboxyphenylboron...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars | PDB PubMed | 2.90E+3 | 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) | ||||||||||||
Subtilisin (Bacillus lentus) | BDBM50067885 (4-CARBOXYPHENYLBORONIC ACID | 4-Carboxyphenylboron...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars | Article | 8.02E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Competitive inhibition of Subtilisin BL wild type enzyme from B. lentus | Bioorg Med Chem Lett 6: 2501-2506 (1996) Article DOI: 10.1016/0960-894X(96)00466-0 BindingDB Entry DOI: 10.7270/Q2X34XFJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Subtilisin (Bacillus lentus) | BDBM50067885 (4-CARBOXYPHENYLBORONIC ACID | 4-Carboxyphenylboron...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars | Article | 8.47E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Competitive inhibition of Subtilisin BL M222S-mutated enzyme from B. lentus | Bioorg Med Chem Lett 6: 2501-2506 (1996) Article DOI: 10.1016/0960-894X(96)00466-0 BindingDB Entry DOI: 10.7270/Q2X34XFJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Subtilisin (Bacillus lentus) | BDBM50067885 (4-CARBOXYPHENYLBORONIC ACID | 4-Carboxyphenylboron...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars | Article | 2.10E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Competitive inhibition of Subtilisin BL M222S-mutated enzyme from B. lentus | Bioorg Med Chem Lett 6: 2501-2506 (1996) Article DOI: 10.1016/0960-894X(96)00466-0 BindingDB Entry DOI: 10.7270/Q2X34XFJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Succinyl-diaminopimelate desuccinylase (Haemophilus influenzae) | BDBM50067885 (4-CARBOXYPHENYLBORONIC ACID | 4-Carboxyphenylboron...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | >1.00E+7 | n/a | n/a | n/a | n/a | n/a | n/a |
Loyola University Curated by ChEMBL | Assay Description Inhibition of Haemophilus influenzae recombinant DapE | Bioorg Med Chem Lett 19: 6350-2 (2009) Article DOI: 10.1016/j.bmcl.2009.09.077 BindingDB Entry DOI: 10.7270/Q2833T06 | |||||||||||
More data for this Ligand-Target Pair |