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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

Data: 5 KI  1 IC50

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50067885   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Beta-lactamase AmpC


(Escherichia coli)
BDBM50067885
PNG
(4-CARBOXYPHENYLBORONIC ACID | 4-Carboxyphenylboron...)
Show SMILES OB(O)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C7H7BO4/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4,11-12H,(H,9,10)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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PDB
Article
PubMed
2.90E+3n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Beta-lactamase AmpC


(Escherichia coli)
BDBM50067885
PNG
(4-CARBOXYPHENYLBORONIC ACID | 4-Carboxyphenylboron...)
Show SMILES OB(O)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C7H7BO4/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4,11-12H,(H,9,10)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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CHEMBL
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PubMed
2.90E+3n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards AmpC beta-lactamase binding site from Escherichia coli


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Subtilisin


(Bacillus lentus)
BDBM50067885
PNG
(4-CARBOXYPHENYLBORONIC ACID | 4-Carboxyphenylboron...)
Show SMILES OB(O)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C7H7BO4/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4,11-12H,(H,9,10)
PDB
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Article
8.02E+5n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Subtilisin


(Bacillus lentus)
BDBM50067885
PNG
(4-CARBOXYPHENYLBORONIC ACID | 4-Carboxyphenylboron...)
Show SMILES OB(O)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C7H7BO4/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4,11-12H,(H,9,10)
PDB
MMDB

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CHEMBL
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Article
8.47E+5n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Subtilisin


(Bacillus lentus)
BDBM50067885
PNG
(4-CARBOXYPHENYLBORONIC ACID | 4-Carboxyphenylboron...)
Show SMILES OB(O)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C7H7BO4/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4,11-12H,(H,9,10)
PDB
MMDB

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Article
2.10E+6n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Succinyl-diaminopimelate desuccinylase


(Haemophilus influenzae)
BDBM50067885
PNG
(4-CARBOXYPHENYLBORONIC ACID | 4-Carboxyphenylboron...)
Show SMILES OB(O)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C7H7BO4/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4,11-12H,(H,9,10)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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CHEMBL
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PC cid
PC sid
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Article
PubMed
n/an/a>1.00E+7n/an/an/an/an/an/a



Loyola University

Curated by ChEMBL


Assay Description
Inhibition of Haemophilus influenzae recombinant DapE


Bioorg Med Chem Lett 19: 6350-2 (2009)

More data for this
Ligand-Target Pair