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Compile Data Set for Download or QSAR

Found 13 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM26997'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM26997
PNG
(CHEMBL364571 | PhAsO3H2 | benzenarsonic acid | ben...)
Show SMILES O[As](O)(=O)c1ccccc1
Show InChI InChI=1S/C6H7AsO3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H,(H2,8,9,10)
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PubMed
31.7n/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
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM26997
PNG
(CHEMBL364571 | PhAsO3H2 | benzenarsonic acid | ben...)
Show SMILES O[As](O)(=O)c1ccccc1
Show InChI InChI=1S/C6H7AsO3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H,(H2,8,9,10)
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3.17E+7 -8.41n/an/an/an/an/a7.520



Universit£ degli Studi di Firenze



Assay Description
Inhibition of human carbonic anhydrase 2 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 1


(Homo sapiens (Human))
BDBM26997
PNG
(CHEMBL364571 | PhAsO3H2 | benzenarsonic acid | ben...)
Show SMILES O[As](O)(=O)c1ccccc1
Show InChI InChI=1S/C6H7AsO3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H,(H2,8,9,10)
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3.17E+7n/an/an/an/an/an/an/an/a



Istituto di Bioscienze e Biorisorse (IBBR)-CNR

Curated by ChEMBL


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


Bioorg Med Chem Lett 24: 4389-96 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.015
BindingDB Entry DOI: 10.7270/Q28054D1
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM26997
PNG
(CHEMBL364571 | PhAsO3H2 | benzenarsonic acid | ben...)
Show SMILES O[As](O)(=O)c1ccccc1
Show InChI InChI=1S/C6H7AsO3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H,(H2,8,9,10)
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3.17E+7n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1


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 1


(Homo sapiens (Human))
BDBM26997
PNG
(CHEMBL364571 | PhAsO3H2 | benzenarsonic acid | ben...)
Show SMILES O[As](O)(=O)c1ccccc1
Show InChI InChI=1S/C6H7AsO3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H,(H2,8,9,10)
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3.17E+7n/an/an/an/an/an/an/an/a



Balikesir University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 by CO2 hydration stopped-flow assay


Bioorg Med Chem Lett 18: 6327-31 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.100
BindingDB Entry DOI: 10.7270/Q26D5SV7
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM26997
PNG
(CHEMBL364571 | PhAsO3H2 | benzenarsonic acid | ben...)
Show SMILES O[As](O)(=O)c1ccccc1
Show InChI InChI=1S/C6H7AsO3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H,(H2,8,9,10)
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3.17E+7n/an/an/an/an/an/an/an/a



MC-98000 Princ

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 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 1


(Homo sapiens (Human))
BDBM26997
PNG
(CHEMBL364571 | PhAsO3H2 | benzenarsonic acid | ben...)
Show SMILES O[As](O)(=O)c1ccccc1
Show InChI InChI=1S/C6H7AsO3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H,(H2,8,9,10)
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3.17E+7n/an/an/an/an/an/an/an/a



University of Tampere and Tampere University Hospital

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-1 at 20 degC preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 21: 4472-6 (2013)


Article DOI: 10.1016/j.bmc.2013.05.058
BindingDB Entry DOI: 10.7270/Q28S4SV8
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM26997
PNG
(CHEMBL364571 | PhAsO3H2 | benzenarsonic acid | ben...)
Show SMILES O[As](O)(=O)c1ccccc1
Show InChI InChI=1S/C6H7AsO3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H,(H2,8,9,10)
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3.17E+7n/an/an/an/an/an/a8.3n/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 1 after 15 mins by stopped flow CO2 hydration assay at pH 8.3


Bioorg Med Chem Lett 21: 3591-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.105
BindingDB Entry DOI: 10.7270/Q2930TGN
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM26997
PNG
(CHEMBL364571 | PhAsO3H2 | benzenarsonic acid | ben...)
Show SMILES O[As](O)(=O)c1ccccc1
Show InChI InChI=1S/C6H7AsO3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H,(H2,8,9,10)
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3.17E+7n/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 I


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 1


(Homo sapiens (Human))
BDBM26997
PNG
(CHEMBL364571 | PhAsO3H2 | benzenarsonic acid | ben...)
Show SMILES O[As](O)(=O)c1ccccc1
Show InChI InChI=1S/C6H7AsO3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H,(H2,8,9,10)
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3.17E+7n/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 Lett 23: 1636-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.084
BindingDB Entry DOI: 10.7270/Q2VD70TX
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM26997
PNG
(CHEMBL364571 | PhAsO3H2 | benzenarsonic acid | ben...)
Show SMILES O[As](O)(=O)c1ccccc1
Show InChI InChI=1S/C6H7AsO3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H,(H2,8,9,10)
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3.17E+7n/an/an/an/an/an/an/an/a



Kochi Medical School

Curated by ChEMBL


Assay Description
Inhibition of human recombinant wild type CA1 by stopped-flow CO2 hydration method


Bioorg Med Chem Lett 23: 256-60 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.103
BindingDB Entry DOI: 10.7270/Q2ZC846G
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM26997
PNG
(CHEMBL364571 | PhAsO3H2 | benzenarsonic acid | ben...)
Show SMILES O[As](O)(=O)c1ccccc1
Show InChI InChI=1S/C6H7AsO3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H,(H2,8,9,10)
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3.17E+7 -8.41n/an/an/an/an/a7.520



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 1


(Homo sapiens (Human))
BDBM26997
PNG
(CHEMBL364571 | PhAsO3H2 | benzenarsonic acid | ben...)
Show SMILES O[As](O)(=O)c1ccccc1
Show InChI InChI=1S/C6H7AsO3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H,(H2,8,9,10)
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3.17E+7n/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 Lett 26: 1406-10 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.072
BindingDB Entry DOI: 10.7270/Q2W95C24
More data for this
Ligand-Target Pair