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SMILES: OB(O)c1ccccc1

InChI Key: InChIKey=HXITXNWTGFUOAU-UHFFFAOYSA-N

PDB links: 5 PDB IDs match this monomer. 14 PDB IDs contain this monomer as substructures. 14 PDB IDs contain inhibitors having a similarity of 90% to 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 99 hits for monomerid = 26996   
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
Carbonic anhydrase


(Stylophora pistillata)
BDBM26996
PNG
(CHEMBL21485 | PhB(OH)2 | Phenyl-boronic acid | Phe...)
Show SMILES OB(O)c1ccccc1
Show InChI InChI=1S/C6H7BO2/c8-7(9)6-4-2-1-3-5-6/h1-5,8-9H
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PubMed
0.00800n/an/an/an/an/an/an/an/a



Centre Scientifique de Monaco

Curated by ChEMBL


Assay Description
Inhibition of Stylophora pistillata carbonic anhydrase 2 by stopped-flow CO2 hydration assay


Bioorg Med Chem Lett 21: 710-4 (2011)

Checked by Author
Article DOI: 10.1016/j.bmcl.2010.11.124
BindingDB Entry DOI: 10.7270/Q26D5T7K
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Stylophora pistillata)
BDBM26996
PNG
(CHEMBL21485 | PhB(OH)2 | Phenyl-boronic acid | Phe...)
Show SMILES OB(O)c1ccccc1
Show InChI InChI=1S/C6H7BO2/c8-7(9)6-4-2-1-3-5-6/h1-5,8-9H
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0.680n/an/an/an/an/an/an/an/a



Centre Scientifique de Monaco

Curated by ChEMBL


Assay Description
Inhibition of Stylophora pistillata carbonic anhydrase by stopped-flow CO2 hydration assay


Bioorg Med Chem Lett 21: 710-4 (2011)

Checked by Author
Article DOI: 10.1016/j.bmcl.2010.11.124
BindingDB Entry DOI: 10.7270/Q26D5T7K
More data for this
Ligand-Target Pair
Carbonic anhydrase 6


(Homo sapiens (Human))
BDBM26996
PNG
(CHEMBL21485 | PhB(OH)2 | Phenyl-boronic acid | Phe...)
Show SMILES OB(O)c1ccccc1
Show InChI InChI=1S/C6H7BO2/c8-7(9)6-4-2-1-3-5-6/h1-5,8-9H
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0.820n/an/an/an/an/an/an/an/a



Centre Scientifique de Monaco

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA6 by stopped-flow CO2 hydration assay


Bioorg Med Chem Lett 21: 710-4 (2011)

Checked by Author
Article DOI: 10.1016/j.bmcl.2010.11.124
BindingDB Entry DOI: 10.7270/Q26D5T7K
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM26996
PNG
(CHEMBL21485 | PhB(OH)2 | Phenyl-boronic acid | Phe...)
Show SMILES OB(O)c1ccccc1
Show InChI InChI=1S/C6H7BO2/c8-7(9)6-4-2-1-3-5-6/h1-5,8-9H
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23.1n/an/an/an/an/an/an/an/a



Centre Scientifique de Monaco

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA2 by stopped-flow CO2 hydration assay


Bioorg Med Chem Lett 21: 710-4 (2011)

Checked by Author
Article DOI: 10.1016/j.bmcl.2010.11.124
BindingDB Entry DOI: 10.7270/Q26D5T7K
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM26996
PNG
(CHEMBL21485 | PhB(OH)2 | Phenyl-boronic acid | Phe...)
Show SMILES OB(O)c1ccccc1
Show InChI InChI=1S/C6H7BO2/c8-7(9)6-4-2-1-3-5-6/h1-5,8-9H
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58.6n/an/an/an/an/an/an/an/a



Centre Scientifique de Monaco

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA1 by stopped-flow CO2 hydration assay


Bioorg Med Chem Lett 21: 710-4 (2011)

Checked by Author
Article DOI: 10.1016/j.bmcl.2010.11.124
BindingDB Entry DOI: 10.7270/Q26D5T7K
More data for this
Ligand-Target Pair
Chymotrypsinogen A


(Bos taurus (bovine))
BDBM26996
PNG
(CHEMBL21485 | PhB(OH)2 | Phenyl-boronic acid | Phe...)
Show SMILES OB(O)c1ccccc1
Show InChI InChI=1S/C6H7BO2/c8-7(9)6-4-2-1-3-5-6/h1-5,8-9H
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200n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant of the compound was determined against Chymotrypsinogen


Bioorg Med Chem Lett 2: 1391-1394 (1992)


Article DOI: 10.1016/S0960-894X(00)80519-3
BindingDB Entry DOI: 10.7270/Q23T9H47
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM26996
PNG
(CHEMBL21485 | PhB(OH)2 | Phenyl-boronic acid | Phe...)
Show SMILES OB(O)c1ccccc1
Show InChI InChI=1S/C6H7BO2/c8-7(9)6-4-2-1-3-5-6/h1-5,8-9H
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880n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


Bioorg Med Chem Lett 19: 1155-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.082
BindingDB Entry DOI: 10.7270/Q2KD1W79
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM26996
PNG
(CHEMBL21485 | PhB(OH)2 | Phenyl-boronic acid | Phe...)
Show SMILES OB(O)c1ccccc1
Show InChI InChI=1S/C6H7BO2/c8-7(9)6-4-2-1-3-5-6/h1-5,8-9H
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880n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze, Dipartimento Neurofarba, Sezione di Scienze Farmaceutiche e Nutraceutiche, Via U. Schiff 6, 50019 Sesto Fiorentino, Florence, Italy. Electronic address: claudiu.sup

Curated by ChEMBL


Assay Description
Inhibition of human CA4 by stopped-flow CO2 hydrase assay


Bioorg Med Chem 25: 5064-5067 (2017)


Article DOI: 10.1016/j.bmc.2016.10.023
BindingDB Entry DOI: 10.7270/Q24170HK
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM26996
PNG
(CHEMBL21485 | PhB(OH)2 | Phenyl-boronic acid | Phe...)
Show SMILES OB(O)c1ccccc1
Show InChI InChI=1S/C6H7BO2/c8-7(9)6-4-2-1-3-5-6/h1-5,8-9H
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880n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition constant against human carbonic anhydrase isozyme hCA IV


Bioorg Med Chem Lett 14: 5769-73 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.063
BindingDB Entry DOI: 10.7270/Q24X58JJ
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Vibrio cholerae serotype O1 (strain ATCC 39315 / E...)
BDBM26996
PNG
(CHEMBL21485 | PhB(OH)2 | Phenyl-boronic acid | Phe...)
Show SMILES OB(O)c1ccccc1
Show InChI InChI=1S/C6H7BO2/c8-7(9)6-4-2-1-3-5-6/h1-5,8-9H
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7.00E+3 -6.91n/an/an/an/an/a7.520



Universit£ degli Studi di Firenze



Assay Description
Inhibition of Flaveria bidentis carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 3413-7 (2016)


Article DOI: 10.1016/j.bmc.2016.05.029
BindingDB Entry DOI: 10.7270/Q2W9583B
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...)
BDBM26996
PNG
(CHEMBL21485 | PhB(OH)2 | Phenyl-boronic acid | Phe...)
Show SMILES OB(O)c1ccccc1
Show InChI InChI=1S/C6H7BO2/c8-7(9)6-4-2-1-3-5-6/h1-5,8-9H
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8.00E+3n/an/an/an/an/an/a8.3n/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa PAO1 type-2 beta-carbonic anhydrase psCA3 expressed in Escherichia coli Tuner BL21 (DE3) cells pre-incubated for...


Bioorg Med Chem 23: 4831-8 (2015)


Article DOI: 10.1016/j.bmc.2015.05.029
BindingDB Entry DOI: 10.7270/Q20V8FK8
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM26996
PNG
(CHEMBL21485 | PhB(OH)2 | Phenyl-boronic acid | Phe...)
Show SMILES OB(O)c1ccccc1
Show InChI InChI=1S/C6H7BO2/c8-7(9)6-4-2-1-3-5-6/h1-5,8-9H
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8.30E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA7


Bioorg Med Chem Lett 16: 3139-43 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.078
BindingDB Entry DOI: 10.7270/Q29W0G8R
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM26996
PNG
(CHEMBL21485 | PhB(OH)2 | Phenyl-boronic acid | Phe...)
Show SMILES OB(O)c1ccccc1
Show InChI InChI=1S/C6H7BO2/c8-7(9)6-4-2-1-3-5-6/h1-5,8-9H
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8.30E+3n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze, Dipartimento Neurofarba, Sezione di Scienze Farmaceutiche e Nutraceutiche, Via U. Schiff 6, 50019 Sesto Fiorentino, Florence, Italy. Electronic address: claudiu.sup

Curated by ChEMBL


Assay Description
Inhibition of human CA7 by stopped-flow CO2 hydrase assay


Bioorg Med Chem 25: 5064-5067 (2017)


Article DOI: 10.1016/j.bmc.2016.10.023
BindingDB Entry DOI: 10.7270/Q24170HK
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Astrosclera willeyana)
BDBM26996
PNG
(CHEMBL21485 | PhB(OH)2 | Phenyl-boronic acid | Phe...)
Show SMILES OB(O)c1ccccc1
Show InChI InChI=1S/C6H7BO2/c8-7(9)6-4-2-1-3-5-6/h1-5,8-9H
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9.60E+3n/an/an/an/an/an/an/an/a



Slovak Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of Astrosclera willeyana recombinant GST-tagged astrosclerin 3 expressed in Escherichia coli BL21-DE3-RIPL cells preincubated for 15 mins ...


Bioorg Med Chem Lett 22: 1314-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.085
BindingDB Entry DOI: 10.7270/Q2W66M7M
More data for this
Ligand-Target Pair
Beta-lactamase


(Escherichia coli)
BDBM26996
PNG
(CHEMBL21485 | PhB(OH)2 | Phenyl-boronic acid | Phe...)
Show SMILES OB(O)c1ccccc1
Show InChI InChI=1S/C6H7BO2/c8-7(9)6-4-2-1-3-5-6/h1-5,8-9H
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1.05E+4n/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)


Article DOI: 10.1021/jm980343w
BindingDB Entry DOI: 10.7270/Q22N51FX
More data for this
Ligand-Target Pair
Carbonic anhydrase 14


(Homo sapiens (Human))
BDBM26996
PNG
(CHEMBL21485 | PhB(OH)2 | Phenyl-boronic acid | Phe...)
Show SMILES OB(O)c1ccccc1
Show InChI InChI=1S/C6H7BO2/c8-7(9)6-4-2-1-3-5-6/h1-5,8-9H
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>5.00E+4n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze, Dipartimento Neurofarba, Sezione di Scienze Farmaceutiche e Nutraceutiche, Via U. Schiff 6, 50019 Sesto Fiorentino, Florence, Italy. Electronic address: claudiu.sup

Curated by ChEMBL


Assay Description
Inhibition of human CA14 by stopped-flow CO2 hydrase assay


Bioorg Med Chem 25: 5064-5067 (2017)


Article DOI: 10.1016/j.bmc.2016.10.023
BindingDB Entry DOI: 10.7270/Q24170HK
More data for this
Ligand-Target Pair
Carbonic anhydrase 15


(Mus musculus)
BDBM26996
PNG
(CHEMBL21485 | PhB(OH)2 | Phenyl-boronic acid | Phe...)
Show SMILES OB(O)c1ccccc1
Show InChI InChI=1S/C6H7BO2/c8-7(9)6-4-2-1-3-5-6/h1-5,8-9H
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>5.00E+4n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze, Dipartimento Neurofarba, Sezione di Scienze Farmaceutiche e Nutraceutiche, Via U. Schiff 6, 50019 Sesto Fiorentino, Florence, Italy. Electronic address: claudiu.sup

Curated by ChEMBL


Assay Description
Inhibition of mouse CA15 by stopped-flow CO2 hydrase assay


Bioorg Med Chem 25: 5064-5067 (2017)


Article DOI: 10.1016/j.bmc.2016.10.023
BindingDB Entry DOI: 10.7270/Q24170HK
More data for this
Ligand-Target Pair
Carbonic anhydrase 13


(Homo sapiens (Human))
BDBM26996
PNG
(CHEMBL21485 | PhB(OH)2 | Phenyl-boronic acid | Phe...)
Show SMILES OB(O)c1ccccc1
Show InChI InChI=1S/C6H7BO2/c8-7(9)6-4-2-1-3-5-6/h1-5,8-9H
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>5.00E+4n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze, Dipartimento Neurofarba, Sezione di Scienze Farmaceutiche e Nutraceutiche, Via U. Schiff 6, 50019 Sesto Fiorentino, Florence, Italy. Electronic address: claudiu.sup

Curated by ChEMBL


Assay Description
Inhibition of human CA13 by stopped-flow CO2 hydrase assay


Bioorg Med Chem 25: 5064-5067 (2017)


Article DOI: 10.1016/j.bmc.2016.10.023
BindingDB Entry DOI: 10.7270/Q24170HK
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM26996
PNG
(CHEMBL21485 | PhB(OH)2 | Phenyl-boronic acid | Phe...)
Show SMILES OB(O)c1ccccc1
Show InChI InChI=1S/C6H7BO2/c8-7(9)6-4-2-1-3-5-6/h1-5,8-9H
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>5.00E+4n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze, Dipartimento Neurofarba, Sezione di Scienze Farmaceutiche e Nutraceutiche, Via U. Schiff 6, 50019 Sesto Fiorentino, Florence, Italy. Electronic address: claudiu.sup

Curated by ChEMBL


Assay Description
Inhibition of human CA12 by stopped-flow CO2 hydrase assay


Bioorg Med Chem 25: 5064-5067 (2017)


Article DOI: 10.1016/j.bmc.2016.10.023
BindingDB Entry DOI: 10.7270/Q24170HK
More data for this
Ligand-Target Pair
Carbonic anhydrase 6


(Homo sapiens (Human))
BDBM26996
PNG
(CHEMBL21485 | PhB(OH)2 | Phenyl-boronic acid | Phe...)
Show SMILES OB(O)c1ccccc1
Show InChI InChI=1S/C6H7BO2/c8-7(9)6-4-2-1-3-5-6/h1-5,8-9H
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>5.00E+4n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze, Dipartimento Neurofarba, Sezione di Scienze Farmaceutiche e Nutraceutiche, Via U. Schiff 6, 50019 Sesto Fiorentino, Florence, Italy. Electronic address: claudiu.sup

Curated by ChEMBL


Assay Description
Inhibition of human CA6 by stopped-flow CO2 hydrase assay


Bioorg Med Chem 25: 5064-5067 (2017)


Article DOI: 10.1016/j.bmc.2016.10.023
BindingDB Entry DOI: 10.7270/Q24170HK
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM26996
PNG
(CHEMBL21485 | PhB(OH)2 | Phenyl-boronic acid | Phe...)
Show SMILES OB(O)c1ccccc1
Show InChI InChI=1S/C6H7BO2/c8-7(9)6-4-2-1-3-5-6/h1-5,8-9H
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>5.00E+4n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze, Dipartimento Neurofarba, Sezione di Scienze Farmaceutiche e Nutraceutiche, Via U. Schiff 6, 50019 Sesto Fiorentino, Florence, Italy. Electronic address: claudiu.sup

Curated by ChEMBL


Assay Description
Inhibition of human CA1 by stopped-flow CO2 hydrase assay


Bioorg Med Chem 25: 5064-5067 (2017)


Article DOI: 10.1016/j.bmc.2016.10.023
BindingDB Entry DOI: 10.7270/Q24170HK
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM26996
PNG
(CHEMBL21485 | PhB(OH)2 | Phenyl-boronic acid | Phe...)
Show SMILES OB(O)c1ccccc1
Show InChI InChI=1S/C6H7BO2/c8-7(9)6-4-2-1-3-5-6/h1-5,8-9H
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>5.00E+4n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze, Dipartimento Neurofarba, Sezione di Scienze Farmaceutiche e Nutraceutiche, Via U. Schiff 6, 50019 Sesto Fiorentino, Florence, Italy. Electronic address: claudiu.sup

Curated by ChEMBL


Assay Description
Inhibition of human CA9 by stopped-flow CO2 hydrase assay


Bioorg Med Chem 25: 5064-5067 (2017)


Article DOI: 10.1016/j.bmc.2016.10.023
BindingDB Entry DOI: 10.7270/Q24170HK
More data for this
Ligand-Target Pair
Carbonic anhydrase 5B, mitochondrial


(Homo sapiens (Human))
BDBM26996
PNG
(CHEMBL21485 | PhB(OH)2 | Phenyl-boronic acid | Phe...)
Show SMILES OB(O)c1ccccc1
Show InChI InChI=1S/C6H7BO2/c8-7(9)6-4-2-1-3-5-6/h1-5,8-9H
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>5.00E+4n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze, Dipartimento Neurofarba, Sezione di Scienze Farmaceutiche e Nutraceutiche, Via U. Schiff 6, 50019 Sesto Fiorentino, Florence, Italy. Electronic address: claudiu.sup

Curated by ChEMBL


Assay Description
Inhibition of human CA5B by stopped-flow CO2 hydrase assay


Bioorg Med Chem 25: 5064-5067 (2017)


Article DOI: 10.1016/j.bmc.2016.10.023
BindingDB Entry DOI: 10.7270/Q24170HK
More data for this
Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial


(Homo sapiens (Human))
BDBM26996
PNG
(CHEMBL21485 | PhB(OH)2 | Phenyl-boronic acid | Phe...)
Show SMILES OB(O)c1ccccc1
Show InChI InChI=1S/C6H7BO2/c8-7(9)6-4-2-1-3-5-6/h1-5,8-9H
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>5.00E+4n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze, Dipartimento Neurofarba, Sezione di Scienze Farmaceutiche e Nutraceutiche, Via U. Schiff 6, 50019 Sesto Fiorentino, Florence, Italy. Electronic address: claudiu.sup

Curated by ChEMBL


Assay Description
Inhibition of human CA5A by stopped-flow CO2 hydrase assay


Bioorg Med Chem 25: 5064-5067 (2017)


Article DOI: 10.1016/j.bmc.2016.10.023
BindingDB Entry DOI: 10.7270/Q24170HK
More data for this
Ligand-Target Pair
Carbonic anhydrase 3


(Homo sapiens (Human))
BDBM26996
PNG
(CHEMBL21485 | PhB(OH)2 | Phenyl-boronic acid | Phe...)
Show SMILES OB(O)c1ccccc1
Show InChI InChI=1S/C6H7BO2/c8-7(9)6-4-2-1-3-5-6/h1-5,8-9H
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>5.00E+4n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze, Dipartimento Neurofarba, Sezione di Scienze Farmaceutiche e Nutraceutiche, Via U. Schiff 6, 50019 Sesto Fiorentino, Florence, Italy. Electronic address: claudiu.sup

Curated by ChEMBL


Assay Description
Inhibition of human CA3 by stopped-flow CO2 hydrase assay


Bioorg Med Chem 25: 5064-5067 (2017)


Article DOI: 10.1016/j.bmc.2016.10.023
BindingDB Entry DOI: 10.7270/Q24170HK
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM26996
PNG
(CHEMBL21485 | PhB(OH)2 | Phenyl-boronic acid | Phe...)
Show SMILES OB(O)c1ccccc1
Show InChI InChI=1S/C6H7BO2/c8-7(9)6-4-2-1-3-5-6/h1-5,8-9H
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>5.00E+4n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze, Dipartimento Neurofarba, Sezione di Scienze Farmaceutiche e Nutraceutiche, Via U. Schiff 6, 50019 Sesto Fiorentino, Florence, Italy. Electronic address: claudiu.sup

Curated by ChEMBL


Assay Description
Inhibition of human CA2 by stopped-flow CO2 hydrase assay


Bioorg Med Chem 25: 5064-5067 (2017)


Article DOI: 10.1016/j.bmc.2016.10.023
BindingDB Entry DOI: 10.7270/Q24170HK
More data for this
Ligand-Target Pair
Succinyl-diaminopimelate desuccinylase


(Haemophilus influenzae)
BDBM26996
PNG
(CHEMBL21485 | PhB(OH)2 | Phenyl-boronic acid | Phe...)
Show SMILES OB(O)c1ccccc1
Show InChI InChI=1S/C6H7BO2/c8-7(9)6-4-2-1-3-5-6/h1-5,8-9H
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PubMed
5.69E+4n/an/an/an/an/an/an/an/a



Loyola University

Curated by ChEMBL


Assay Description
Inhibition of Haemophilus influenzae recombinant DapE by competitive binding assay


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
Carbonic anhydrase 15 [19-324]


(Mus musculus (mouse))
BDBM26996
PNG
(CHEMBL21485 | PhB(OH)2 | Phenyl-boronic acid | Phe...)
Show SMILES OB(O)c1ccccc1
Show InChI InChI=1S/C6H7BO2/c8-7(9)6-4-2-1-3-5-6/h1-5,8-9H
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PubMed
6.78E+4n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


Bioorg Med Chem Lett 19: 1155-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.082
BindingDB Entry DOI: 10.7270/Q2KD1W79
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Helicobacter pylori)
BDBM26996
PNG
(CHEMBL21485 | PhB(OH)2 | Phenyl-boronic acid | Phe...)
Show SMILES OB(O)c1ccccc1
Show InChI InChI=1S/C6H7BO2/c8-7(9)6-4-2-1-3-5-6/h1-5,8-9H
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PubMed
7.30E+4 -5.64n/an/an/an/an/a7.525



Università degli Studi di Firenze



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity Khalifah RG. The carbon dioxide hy...


J Enzyme Inhib Med Chem 28: 388-91 (2013)


Article DOI: 10.3109/14756366.2011.649268
BindingDB Entry DOI: 10.7270/Q2S75F7K
More data for this
Ligand-Target Pair
Gamma carbonic anhydrase family protein


(Vibrio cholerae)
BDBM26996
PNG
(CHEMBL21485 | PhB(OH)2 | Phenyl-boronic acid | Phe...)
Show SMILES OB(O)c1ccccc1
Show InChI InChI=1S/C6H7BO2/c8-7(9)6-4-2-1-3-5-6/h1-5,8-9H
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PubMed
8.10E+4 -5.48n/an/an/an/an/a7.520



Universit£ degli Studi di Firenze



Assay Description
Inhibition of Vibrio cholerae recombinant carbonic anhydrase gamma expressed in Escherichia coli DE3 cells preincubated for 15 mins by stopped-flow C...


Bioorg Med Chem 24: 3413-7 (2016)


Article DOI: 10.1016/j.bmc.2016.05.029
BindingDB Entry DOI: 10.7270/Q2W9583B
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Vibrio cholerae)
BDBM26996
PNG
(CHEMBL21485 | PhB(OH)2 | Phenyl-boronic acid | Phe...)
Show SMILES OB(O)c1ccccc1
Show InChI InChI=1S/C6H7BO2/c8-7(9)6-4-2-1-3-5-6/h1-5,8-9H
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PubMed
8.50E+4 -5.46n/an/an/an/an/a7.520



Universit£ degli Studi di Firenze



Assay Description
Inhibition of Vibrio cholerae carbonic anhydrase beta preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 3413-7 (2016)


Article DOI: 10.1016/j.bmc.2016.05.029
BindingDB Entry DOI: 10.7270/Q2W9583B
More data for this
Ligand-Target Pair
Carbonic anhydrase 14


(Homo sapiens (Human))
BDBM26996
PNG
(CHEMBL21485 | PhB(OH)2 | Phenyl-boronic acid | Phe...)
Show SMILES OB(O)c1ccccc1
Show InChI InChI=1S/C6H7BO2/c8-7(9)6-4-2-1-3-5-6/h1-5,8-9H
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PubMed
9.20E+4n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length CA14


Bioorg Med Chem Lett 17: 1532-7 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.113
BindingDB Entry DOI: 10.7270/Q29886PN
More data for this
Ligand-Target Pair
Subtilisin BL


(Bacillus lentus)
BDBM26996
PNG
(CHEMBL21485 | PhB(OH)2 | Phenyl-boronic acid | Phe...)
Show SMILES OB(O)c1ccccc1
Show InChI InChI=1S/C6H7BO2/c8-7(9)6-4-2-1-3-5-6/h1-5,8-9H
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9.60E+4n/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)


Article DOI: 10.1016/0960-894X(96)00466-0
BindingDB Entry DOI: 10.7270/Q2X34XFJ
More data for this
Ligand-Target Pair
Alpha-carbonic anhydrase


(Helicobacter pylori (strain G27))
BDBM26996
PNG
(CHEMBL21485 | PhB(OH)2 | Phenyl-boronic acid | Phe...)
Show SMILES OB(O)c1ccccc1
Show InChI InChI=1S/C6H7BO2/c8-7(9)6-4-2-1-3-5-6/h1-5,8-9H
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PubMed
9.70E+4 -5.38n/an/an/an/an/a7.520



Universit£ degli Studi di Firenze



Assay Description
Inhibition of Vibrio cholerae alpha carbonic anhydrase preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 3413-7 (2016)


Article DOI: 10.1016/j.bmc.2016.05.029
BindingDB Entry DOI: 10.7270/Q2W9583B
More data for this
Ligand-Target Pair
Alpha-carbonic anhydrase


(Helicobacter pylori)
BDBM26996
PNG
(CHEMBL21485 | PhB(OH)2 | Phenyl-boronic acid | Phe...)
Show SMILES OB(O)c1ccccc1
Show InChI InChI=1S/C6H7BO2/c8-7(9)6-4-2-1-3-5-6/h1-5,8-9H
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PubMed
9.70E+4 -5.47n/an/an/an/an/a7.525



Università degli Studi di Firenze



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity Khalifah RG. The carbon dioxide hy...


J Enzyme Inhib Med Chem 28: 388-91 (2013)


Article DOI: 10.3109/14756366.2011.649268
BindingDB Entry DOI: 10.7270/Q2S75F7K
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Candida glabrata)
BDBM26996
PNG
(CHEMBL21485 | PhB(OH)2 | Phenyl-boronic acid | Phe...)
Show SMILES OB(O)c1ccccc1
Show InChI InChI=1S/C6H7BO2/c8-7(9)6-4-2-1-3-5-6/h1-5,8-9H
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PubMed
1.00E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of Candida glabrata carbonic anhydrase by stopped flow CO2 hydration assay


Bioorg Med Chem Lett 19: 4802-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.048
BindingDB Entry DOI: 10.7270/Q2R212BT
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM26996
PNG
(CHEMBL21485 | PhB(OH)2 | Phenyl-boronic acid | Phe...)
Show SMILES OB(O)c1ccccc1
Show InChI InChI=1S/C6H7BO2/c8-7(9)6-4-2-1-3-5-6/h1-5,8-9H
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>1.00E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 24: 4406-4409 (2016)


Article DOI: 10.1016/j.bmc.2016.07.035
BindingDB Entry DOI: 10.7270/Q2HM5BDW
More data for this
Ligand-Target Pair
Subtilisin Carlsberg


(Bacillus licheniformis)
BDBM26996
PNG
(CHEMBL21485 | PhB(OH)2 | Phenyl-boronic acid | Phe...)
Show SMILES OB(O)c1ccccc1
Show InChI InChI=1S/C6H7BO2/c8-7(9)6-4-2-1-3-5-6/h1-5,8-9H
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1.00E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of Subtilisin Carlsberg 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
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM26996
PNG
(CHEMBL21485 | PhB(OH)2 | Phenyl-boronic acid | Phe...)
Show SMILES OB(O)c1ccccc1
Show InChI InChI=1S/C6H7BO2/c8-7(9)6-4-2-1-3-5-6/h1-5,8-9H
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>1.00E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 24: 4406-4409 (2016)


Article DOI: 10.1016/j.bmc.2016.07.035
BindingDB Entry DOI: 10.7270/Q2HM5BDW
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM26996
PNG
(CHEMBL21485 | PhB(OH)2 | Phenyl-boronic acid | Phe...)
Show SMILES OB(O)c1ccccc1
Show InChI InChI=1S/C6H7BO2/c8-7(9)6-4-2-1-3-5-6/h1-5,8-9H
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PubMed
1.20E+5n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant catalytic domain CA9


Bioorg Med Chem Lett 17: 1532-7 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.113
BindingDB Entry DOI: 10.7270/Q29886PN
More data for this
Ligand-Target Pair
Subtilisin BL


(Bacillus lentus)
BDBM26996
PNG
(CHEMBL21485 | PhB(OH)2 | Phenyl-boronic acid | Phe...)
Show SMILES OB(O)c1ccccc1
Show InChI InChI=1S/C6H7BO2/c8-7(9)6-4-2-1-3-5-6/h1-5,8-9H
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1.41E+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)


Article DOI: 10.1016/0960-894X(96)00466-0
BindingDB Entry DOI: 10.7270/Q2X34XFJ
More data for this
Ligand-Target Pair
Subtilisin BL


(Bacillus lentus)
BDBM26996
PNG
(CHEMBL21485 | PhB(OH)2 | Phenyl-boronic acid | Phe...)
Show SMILES OB(O)c1ccccc1
Show InChI InChI=1S/C6H7BO2/c8-7(9)6-4-2-1-3-5-6/h1-5,8-9H
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1.55E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of Subtilisin BL M222C-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
Carbonic anhydrase


(Methanobacterium thermoautotrophicum)
BDBM26996
PNG
(CHEMBL21485 | PhB(OH)2 | Phenyl-boronic acid | Phe...)
Show SMILES OB(O)c1ccccc1
Show InChI InChI=1S/C6H7BO2/c8-7(9)6-4-2-1-3-5-6/h1-5,8-9H
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PubMed
2.00E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory constant against methanoarchaeon Methanobacterium thermoautotrophicum (Cab)


Bioorg Med Chem Lett 14: 4563-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.073
BindingDB Entry DOI: 10.7270/Q2H995ZD
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Methanosarcina thermophila)
BDBM26996
PNG
(CHEMBL21485 | PhB(OH)2 | Phenyl-boronic acid | Phe...)
Show SMILES OB(O)c1ccccc1
Show InChI InChI=1S/C6H7BO2/c8-7(9)6-4-2-1-3-5-6/h1-5,8-9H
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2.30E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory constant against Zn-Cam (Methanosarcina thermophila)


Bioorg Med Chem Lett 14: 4563-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.073
BindingDB Entry DOI: 10.7270/Q2H995ZD
More data for this
Ligand-Target Pair
Proprotein convertase subtilisin/kexin type 9


(Homo sapiens (Human))
BDBM26996
PNG
(CHEMBL21485 | PhB(OH)2 | Phenyl-boronic acid | Phe...)
Show SMILES OB(O)c1ccccc1
Show InChI InChI=1S/C6H7BO2/c8-7(9)6-4-2-1-3-5-6/h1-5,8-9H
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4.70E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of subtilisin


Bioorg Med Chem Lett 4: 2417-2420 (1994)


Article DOI: 10.1016/S0960-894X(01)80401-7
BindingDB Entry DOI: 10.7270/Q23J3CXV
More data for this
Ligand-Target Pair
Beta-lactamase TEM


(Escherichia coli)
BDBM26996
PNG
(CHEMBL21485 | PhB(OH)2 | Phenyl-boronic acid | Phe...)
Show SMILES OB(O)c1ccccc1
Show InChI InChI=1S/C6H7BO2/c8-7(9)6-4-2-1-3-5-6/h1-5,8-9H
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4.91E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory constant was determined against class A RTEM-1 Beta-lactamase from Escherichia coli


Bioorg Med Chem Lett 4: 1229-1234 (1994)


Article DOI: 10.1016/S0960-894X(01)80336-X
BindingDB Entry DOI: 10.7270/Q2W9595N
More data for this
Ligand-Target Pair
Chymotrypsinogen A


(Bos taurus (bovine))
BDBM26996
PNG
(CHEMBL21485 | PhB(OH)2 | Phenyl-boronic acid | Phe...)
Show SMILES OB(O)c1ccccc1
Show InChI InChI=1S/C6H7BO2/c8-7(9)6-4-2-1-3-5-6/h1-5,8-9H
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6.40E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of chymotrypsin


Bioorg Med Chem Lett 4: 2417-2420 (1994)


Article DOI: 10.1016/S0960-894X(01)80401-7
BindingDB Entry DOI: 10.7270/Q23J3CXV
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM26996
PNG
(CHEMBL21485 | PhB(OH)2 | Phenyl-boronic acid | Phe...)
Show SMILES OB(O)c1ccccc1
Show InChI InChI=1S/C6H7BO2/c8-7(9)6-4-2-1-3-5-6/h1-5,8-9H
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8.00E+5n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant catalytic domain CA12


Bioorg Med Chem Lett 17: 1532-7 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.113
BindingDB Entry DOI: 10.7270/Q29886PN
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM26996
PNG
(CHEMBL21485 | PhB(OH)2 | Phenyl-boronic acid | Phe...)
Show SMILES OB(O)c1ccccc1
Show InChI InChI=1S/C6H7BO2/c8-7(9)6-4-2-1-3-5-6/h1-5,8-9H
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8.20E+5n/an/an/an/an/an/an/an/a



MC-98000 Princ

Curated by ChEMBL


Assay Description
Inhibition of human secreted carbonic anhydrase 4 measured by CO2 hydration reaction assay


Bioorg Med Chem Lett 19: 650-3 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.056
BindingDB Entry DOI: 10.7270/Q2D50MT8
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM26996
PNG
(CHEMBL21485 | PhB(OH)2 | Phenyl-boronic acid | Phe...)
Show SMILES OB(O)c1ccccc1
Show InChI InChI=1S/C6H7BO2/c8-7(9)6-4-2-1-3-5-6/h1-5,8-9H
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1.05E+6n/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)


Article DOI: 10.1016/j.bmcl.2009.03.147
BindingDB Entry DOI: 10.7270/Q27D2V4T
More data for this
Ligand-Target Pair
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