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BDBM50067895 CHEMBL140780::Tolyl boronic acid::p-tolylboronic acid

SMILES: Cc1ccc(cc1)B(O)O

InChI Key: InChIKey=BIWQNIMLAISTBV-UHFFFAOYSA-N

Data: 4 KI  4 IC50

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 8 hits for monomerid = 50067895   
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)
BDBM50067895
PNG
(CHEMBL140780 | Tolyl boronic acid | p-tolylboronic...)
Show SMILES Cc1ccc(cc1)B(O)O
Show InChI InChI=1S/C7H9BO2/c1-6-2-4-7(5-3-6)8(9)10/h2-5,9-10H,1H3
PDB
MMDB

KEGG

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PubMed
5.40E+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
beta-Carbonic Anhydrase


(Candida albicans (Yeast))
BDBM50067895
PNG
(CHEMBL140780 | Tolyl boronic acid | p-tolylboronic...)
Show SMILES Cc1ccc(cc1)B(O)O
Show InChI InChI=1S/C7H9BO2/c1-6-2-4-7(5-3-6)8(9)10/h2-5,9-10H,1H3
KEGG

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PubMed
9.00E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans recombinant Carbonic anhydrase preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem Lett 19: 2642-5 (2009)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50067895
PNG
(CHEMBL140780 | Tolyl boronic acid | p-tolylboronic...)
Show SMILES Cc1ccc(cc1)B(O)O
Show InChI InChI=1S/C7H9BO2/c1-6-2-4-7(5-3-6)8(9)10/h2-5,9-10H,1H3
PDB
MMDB

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1.08E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem Lett 19: 2642-5 (2009)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50067895
PNG
(CHEMBL140780 | Tolyl boronic acid | p-tolylboronic...)
Show SMILES Cc1ccc(cc1)B(O)O
Show InChI InChI=1S/C7H9BO2/c1-6-2-4-7(5-3-6)8(9)10/h2-5,9-10H,1H3
PDB
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2.78E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic carbonic anhydrase 1 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem Lett 19: 2642-5 (2009)

More data for this
Ligand-Target Pair
Endothelial lipase (EL)


(Homo sapiens (Human))
BDBM50067895
PNG
(CHEMBL140780 | Tolyl boronic acid | p-tolylboronic...)
Show SMILES Cc1ccc(cc1)B(O)O
Show InChI InChI=1S/C7H9BO2/c1-6-2-4-7(5-3-6)8(9)10/h2-5,9-10H,1H3
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n/an/a 2.20E+4n/an/an/an/an/an/a



Tufts University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human endothelial lipase overexpressed in HUVEC cells using bis-BD-PC and mono-BD-TG as substrate incubated for 10 mins prior to substr...


Bioorg Med Chem Lett 22: 1397-401 (2012)

More data for this
Ligand-Target Pair
Endothelial lipase (EL)


(Homo sapiens (Human))
BDBM50067895
PNG
(CHEMBL140780 | Tolyl boronic acid | p-tolylboronic...)
Show SMILES Cc1ccc(cc1)B(O)O
Show InChI InChI=1S/C7H9BO2/c1-6-2-4-7(5-3-6)8(9)10/h2-5,9-10H,1H3
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n/an/a 1.70E+4n/an/an/an/an/an/a



Tufts University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human endothelial lipase expressed using recombinant adenovirus using glycerol-tri[9,10(n)-3H]oleate after 1 hr by vesicle assay


Bioorg Med Chem Lett 22: 1397-401 (2012)

More data for this
Ligand-Target Pair
Lipoprotein lipase


(Homo sapiens)
BDBM50067895
PNG
(CHEMBL140780 | Tolyl boronic acid | p-tolylboronic...)
Show SMILES Cc1ccc(cc1)B(O)O
Show InChI InChI=1S/C7H9BO2/c1-6-2-4-7(5-3-6)8(9)10/h2-5,9-10H,1H3
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PubMed
n/an/a 9.00E+3n/an/an/an/an/an/a



Tufts University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human lipoprotein lipase expressed using recombinant adenovirus using glycerol-tri[9,10(n)-3H]oleate after 1 hr by vesicle assay


Bioorg Med Chem Lett 22: 1397-401 (2012)

More data for this
Ligand-Target Pair
Lipoprotein lipase


(Homo sapiens)
BDBM50067895
PNG
(CHEMBL140780 | Tolyl boronic acid | p-tolylboronic...)
Show SMILES Cc1ccc(cc1)B(O)O
Show InChI InChI=1S/C7H9BO2/c1-6-2-4-7(5-3-6)8(9)10/h2-5,9-10H,1H3
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PubMed
n/an/a 2.50E+4n/an/an/an/an/an/a



Tufts University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human lipoprotein lipase expressed in HEK293 cells using bis-BD-PC and mono-BD-TG as substrate incubated for 10 mins prior to substrate...


Bioorg Med Chem Lett 22: 1397-401 (2012)

More data for this
Ligand-Target Pair