BDBM50067886 3-(4-boronophenyl)acrylic acid::4-(CARBOXYVIN-2-YL)PHENYLBORONIC ACID::4-phenylpropylester boronic acid::CHEMBL139928

SMILES B(c1ccc(cc1)\C=C\C(=O)O)(O)O

InChI Key InChIKey=IEMLKNHGGSYOMP-UHFFFAOYSA-N

Data  2 KI

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50067886   

TargetBeta-lactamase(Escherichia coli (strain K12))
Northwestern University Medical School

Curated by ChEMBL
LigandPNGBDBM50067886(4-(CARBOXYVIN-2-YL)PHENYLBORONIC ACID | 4-phenylpr...)
Affinity DataKi:  4.20E+3nMAssay Description:Inhibitory activity against Escherichia coli AmpC beta-lactamase.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetBeta-lactamase(Escherichia coli (strain K12))
Northwestern University Medical School

Curated by ChEMBL
LigandPNGBDBM50067886(4-(CARBOXYVIN-2-YL)PHENYLBORONIC ACID | 4-phenylpr...)
Affinity DataKi:  4.20E+3nMAssay Description:Binding affinity towards AmpC beta-lactamase binding site from Escherichia coliMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMedPDB3D3D Structure (crystal)