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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 42.0
BDBM26982
Purchase
Wt: 58.0
BDBM26983
Wt: 26.0
BDBM26984
Wt: 42.0
BDBM26985
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Wt: 61.0
BDBM26986
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Wt: 60.0
BDBM26987
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Wt: 62.0
BDBM26988
Wt: 46.0
BDBM26989
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Wt: 33.0
BDBM26990
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Wt: 81.0
BDBM26991
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Wt: 96.0
BDBM26992
Wt: 86.8
BDBM26993
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Wt: 79.9
BDBM26980
Wt: 35.4
BDBM26979
Wt: 18.9
BDBM26978
Purchase
Displayed 1 to 15 (of 79 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 699 hits in this display   
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 XIII


(Mus musculus (mouse))
BDBM26982
PNG
(CHEMBL1644696 | CNO(-1) | cyanate)
Show SMILES [N-]=C=O
Show InChI InChI=1S/CNO/c2-1-3/q-1
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250n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against mouse carbonic anhydrase XIII expressed in Escherichia coli TOP 10


Bioorg Med Chem Lett 14: 5435-9 (2004)

Checked by Author
Article DOI: 10.1016/j.bmcl.2004.07.086
BindingDB Entry DOI: 10.7270/Q2SN09QF
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM26984
PNG
(CHEMBL1644697 | CN(-1) | cyanide | iminomethanide)
Show InChI InChI=1S/CN/c1-2/q-1
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Article
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500 -35.4n/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


(Homo sapiens (human))
BDBM26984
PNG
(CHEMBL1644697 | CN(-1) | cyanide | iminomethanide)
Show InChI InChI=1S/CN/c1-2/q-1
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500n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 7142-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.065
BindingDB Entry DOI: 10.7270/Q2930VB8
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM26984
PNG
(CHEMBL1644697 | CN(-1) | cyanide | iminomethanide)
Show InChI InChI=1S/CN/c1-2/q-1
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500n/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


(Homo sapiens (human))
BDBM26984
PNG
(CHEMBL1644697 | CN(-1) | cyanide | iminomethanide)
Show InChI InChI=1S/CN/c1-2/q-1
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500n/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


(Homo sapiens (human))
BDBM26984
PNG
(CHEMBL1644697 | CN(-1) | cyanide | iminomethanide)
Show InChI InChI=1S/CN/c1-2/q-1
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500n/an/an/an/an/an/a7.5n/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 after 15 mins by CO2 hydrase assay at pH 7.5


Bioorg Med Chem 19: 1847-51 (2011)


Article DOI: 10.1016/j.bmc.2011.02.015
BindingDB Entry DOI: 10.7270/Q2QN672R
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM26984
PNG
(CHEMBL1644697 | CN(-1) | cyanide | iminomethanide)
Show InChI InChI=1S/CN/c1-2/q-1
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500n/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


(Homo sapiens (human))
BDBM26984
PNG
(CHEMBL1644697 | CN(-1) | cyanide | iminomethanide)
Show InChI InChI=1S/CN/c1-2/q-1
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500n/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


(Homo sapiens (human))
BDBM26984
PNG
(CHEMBL1644697 | CN(-1) | cyanide | iminomethanide)
Show InChI InChI=1S/CN/c1-2/q-1
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500 -35.4n/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


(Homo sapiens (human))
BDBM26990
PNG
(CHEMBL1644699 | CHEMBL38703 | HS anion | HS(-1) | ...)
Show InChI InChI=1S/H2S/h1H2/p-1
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600n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-1 by [18O]-exchange mass spectroscopy


Bioorg Med Chem Lett 25: 4937-40 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.001
BindingDB Entry DOI: 10.7270/Q2VQ34GP
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM26990
PNG
(CHEMBL1644699 | CHEMBL38703 | HS anion | HS(-1) | ...)
Show InChI InChI=1S/H2S/h1H2/p-1
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600n/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


(Homo sapiens (human))
BDBM26990
PNG
(CHEMBL1644699 | CHEMBL38703 | HS anion | HS(-1) | ...)
Show InChI InChI=1S/H2S/h1H2/p-1
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600n/an/an/an/an/an/a7.5n/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 after 15 mins by CO2 hydrase assay at pH 7.5


Bioorg Med Chem 19: 1847-51 (2011)


Article DOI: 10.1016/j.bmc.2011.02.015
BindingDB Entry DOI: 10.7270/Q2QN672R
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM26990
PNG
(CHEMBL1644699 | CHEMBL38703 | HS anion | HS(-1) | ...)
Show InChI InChI=1S/H2S/h1H2/p-1
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600n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory constant against carbonic anhydrase I


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


(Homo sapiens (human))
BDBM26990
PNG
(CHEMBL1644699 | CHEMBL38703 | HS anion | HS(-1) | ...)
Show InChI InChI=1S/H2S/h1H2/p-1
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600n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase I expressed in Escherichia coli


Bioorg Med Chem Lett 14: 5435-9 (2004)

Checked by Author
Article DOI: 10.1016/j.bmcl.2004.07.086
BindingDB Entry DOI: 10.7270/Q2SN09QF
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM26990
PNG
(CHEMBL1644699 | CHEMBL38703 | HS anion | HS(-1) | ...)
Show InChI InChI=1S/H2S/h1H2/p-1
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600n/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


(Homo sapiens (human))
BDBM26990
PNG
(CHEMBL1644699 | CHEMBL38703 | HS anion | HS(-1) | ...)
Show InChI InChI=1S/H2S/h1H2/p-1
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600 -34.9n/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


(Homo sapiens (human))
BDBM26990
PNG
(CHEMBL1644699 | CHEMBL38703 | HS anion | HS(-1) | ...)
Show InChI InChI=1S/H2S/h1H2/p-1
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600n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition constant of anion 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


(Homo sapiens (human))
BDBM26990
PNG
(CHEMBL1644699 | CHEMBL38703 | HS anion | HS(-1) | ...)
Show InChI InChI=1S/H2S/h1H2/p-1
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600n/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


(Homo sapiens (human))
BDBM26990
PNG
(CHEMBL1644699 | CHEMBL38703 | HS anion | HS(-1) | ...)
Show InChI InChI=1S/H2S/h1H2/p-1
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600n/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


(Homo sapiens (human))
BDBM26990
PNG
(CHEMBL1644699 | CHEMBL38703 | HS anion | HS(-1) | ...)
Show InChI InChI=1S/H2S/h1H2/p-1
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600 -34.9n/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


(Homo sapiens (human))
BDBM26990
PNG
(CHEMBL1644699 | CHEMBL38703 | HS anion | HS(-1) | ...)
Show InChI InChI=1S/H2S/h1H2/p-1
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600n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 7142-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.065
BindingDB Entry DOI: 10.7270/Q2930VB8
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM26990
PNG
(CHEMBL1644699 | CHEMBL38703 | HS anion | HS(-1) | ...)
Show InChI InChI=1S/H2S/h1H2/p-1
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600n/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


(Homo sapiens (human))
BDBM26982
PNG
(CHEMBL1644696 | CNO(-1) | cyanate)
Show SMILES [N-]=C=O
Show InChI InChI=1S/CNO/c2-1-3/q-1
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700n/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


(Homo sapiens (human))
BDBM26982
PNG
(CHEMBL1644696 | CNO(-1) | cyanate)
Show SMILES [N-]=C=O
Show InChI InChI=1S/CNO/c2-1-3/q-1
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700 -34.5n/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


(Homo sapiens (human))
BDBM26982
PNG
(CHEMBL1644696 | CNO(-1) | cyanate)
Show SMILES [N-]=C=O
Show InChI InChI=1S/CNO/c2-1-3/q-1
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700n/an/an/an/an/an/a7.5n/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 after 15 mins by CO2 hydrase assay at pH 7.5


Bioorg Med Chem 19: 1847-51 (2011)


Article DOI: 10.1016/j.bmc.2011.02.015
BindingDB Entry DOI: 10.7270/Q2QN672R
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM26982
PNG
(CHEMBL1644696 | CNO(-1) | cyanate)
Show SMILES [N-]=C=O
Show InChI InChI=1S/CNO/c2-1-3/q-1
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700n/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


(Homo sapiens (human))
BDBM26982
PNG
(CHEMBL1644696 | CNO(-1) | cyanate)
Show SMILES [N-]=C=O
Show InChI InChI=1S/CNO/c2-1-3/q-1
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700n/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


(Homo sapiens (human))
BDBM26982
PNG
(CHEMBL1644696 | CNO(-1) | cyanate)
Show SMILES [N-]=C=O
Show InChI InChI=1S/CNO/c2-1-3/q-1
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700n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition constant of anion 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


(Homo sapiens (human))
BDBM26982
PNG
(CHEMBL1644696 | CNO(-1) | cyanate)
Show SMILES [N-]=C=O
Show InChI InChI=1S/CNO/c2-1-3/q-1
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700n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase I expressed in Escherichia coli


Bioorg Med Chem Lett 14: 5435-9 (2004)

Checked by Author
Article DOI: 10.1016/j.bmcl.2004.07.086
BindingDB Entry DOI: 10.7270/Q2SN09QF
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM26982
PNG
(CHEMBL1644696 | CNO(-1) | cyanate)
Show SMILES [N-]=C=O
Show InChI InChI=1S/CNO/c2-1-3/q-1
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700n/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, alpha family


(Thiomicrospira crunogena (strain XCL-2))
BDBM26990
PNG
(CHEMBL1644699 | CHEMBL38703 | HS anion | HS(-1) | ...)
Show InChI InChI=1S/H2S/h1H2/p-1
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1.10E+3n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of Thiomicrospira crunogena XCL-2 alpha-carbonic anhydrase expressed in Escherichia coli BL21 (DE3) cells by [18O]-exchange mass spectrosc...


Bioorg Med Chem Lett 25: 4937-40 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.001
BindingDB Entry DOI: 10.7270/Q2VQ34GP
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM26985
PNG
(2-triaza-1,2-diyne | CHEMBL79455 | CHEMBL89295 | N...)
Show SMILES [N-]=[N+]=[N-]
Show InChI InChI=1S/N3/c1-3-2/q-1
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1.20E+3n/an/an/an/an/an/a7.5n/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 after 15 mins by CO2 hydrase assay at pH 7.5


Bioorg Med Chem 19: 1847-51 (2011)


Article DOI: 10.1016/j.bmc.2011.02.015
BindingDB Entry DOI: 10.7270/Q2QN672R
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM26985
PNG
(2-triaza-1,2-diyne | CHEMBL79455 | CHEMBL89295 | N...)
Show SMILES [N-]=[N+]=[N-]
Show InChI InChI=1S/N3/c1-3-2/q-1
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1.20E+3 -33.2n/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


(Homo sapiens (human))
BDBM26985
PNG
(2-triaza-1,2-diyne | CHEMBL79455 | CHEMBL89295 | N...)
Show SMILES [N-]=[N+]=[N-]
Show InChI InChI=1S/N3/c1-3-2/q-1
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1.20E+3n/an/an/an/an/an/an/an/a



Ondokuz Mayis University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 by Lineweaver-Burk curves


Bioorg Med Chem 19: 744-8 (2011)


Article DOI: 10.1016/j.bmc.2010.12.033
BindingDB Entry DOI: 10.7270/Q2ST7QT4
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM26985
PNG
(2-triaza-1,2-diyne | CHEMBL79455 | CHEMBL89295 | N...)
Show SMILES [N-]=[N+]=[N-]
Show InChI InChI=1S/N3/c1-3-2/q-1
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1.20E+3n/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


(Homo sapiens (human))
BDBM26985
PNG
(2-triaza-1,2-diyne | CHEMBL79455 | CHEMBL89295 | N...)
Show SMILES [N-]=[N+]=[N-]
Show InChI InChI=1S/N3/c1-3-2/q-1
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1.20E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 7142-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.065
BindingDB Entry DOI: 10.7270/Q2930VB8
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM26985
PNG
(2-triaza-1,2-diyne | CHEMBL79455 | CHEMBL89295 | N...)
Show SMILES [N-]=[N+]=[N-]
Show InChI InChI=1S/N3/c1-3-2/q-1
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1.20E+3n/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
Carbonic anhydrase


(Homo sapiens (human))
BDBM26985
PNG
(2-triaza-1,2-diyne | CHEMBL79455 | CHEMBL89295 | N...)
Show SMILES [N-]=[N+]=[N-]
Show InChI InChI=1S/N3/c1-3-2/q-1
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1.20E+3 -33.2n/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


(Homo sapiens (human))
BDBM26985
PNG
(2-triaza-1,2-diyne | CHEMBL79455 | CHEMBL89295 | N...)
Show SMILES [N-]=[N+]=[N-]
Show InChI InChI=1S/N3/c1-3-2/q-1
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1.20E+3n/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


(Homo sapiens (human))
BDBM26985
PNG
(2-triaza-1,2-diyne | CHEMBL79455 | CHEMBL89295 | N...)
Show SMILES [N-]=[N+]=[N-]
Show InChI InChI=1S/N3/c1-3-2/q-1
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1.20E+3n/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


(Homo sapiens (human))
BDBM26985
PNG
(2-triaza-1,2-diyne | CHEMBL79455 | CHEMBL89295 | N...)
Show SMILES [N-]=[N+]=[N-]
Show InChI InChI=1S/N3/c1-3-2/q-1
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1.20E+3n/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 2


(Homo sapiens (human))
BDBM26990
PNG
(CHEMBL1644699 | CHEMBL38703 | HS anion | HS(-1) | ...)
Show InChI InChI=1S/H2S/h1H2/p-1
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2.80E+3n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-2 by [18O]-exchange mass spectroscopy


Bioorg Med Chem Lett 25: 4937-40 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.001
BindingDB Entry DOI: 10.7270/Q2VQ34GP
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM26985
PNG
(2-triaza-1,2-diyne | CHEMBL79455 | CHEMBL89295 | N...)
Show SMILES [N-]=[N+]=[N-]
Show InChI InChI=1S/N3/c1-3-2/q-1
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5.00E+3n/an/an/an/an/an/an/an/a



Ondokuz Mayis University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 by Lineweaver-Burk curves


Bioorg Med Chem 19: 744-8 (2011)


Article DOI: 10.1016/j.bmc.2010.12.033
BindingDB Entry DOI: 10.7270/Q2ST7QT4
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM26990
PNG
(CHEMBL1644699 | CHEMBL38703 | HS anion | HS(-1) | ...)
Show InChI InChI=1S/H2S/h1H2/p-1
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7.00E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition constant of anion against human carbonic anhydrase isozyme hCA IX


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 XV


(Mus musculus (mouse))
BDBM26986
PNG
(CHEMBL363707 | HCO3- | SODIUM BICARBONATE | bicarb...)
Show SMILES OC([O-])=O
Show InChI InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)/p-1
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8.20E+3n/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 XV


(Mus musculus (mouse))
BDBM26985
PNG
(2-triaza-1,2-diyne | CHEMBL79455 | CHEMBL89295 | N...)
Show SMILES [N-]=[N+]=[N-]
Show InChI InChI=1S/N3/c1-3-2/q-1
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8.50E+3n/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 9


(Homo sapiens (human))
BDBM26986
PNG
(CHEMBL363707 | HCO3- | SODIUM BICARBONATE | bicarb...)
Show SMILES OC([O-])=O
Show InChI InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)/p-1
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8.60E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human Carbonic anhydrase IX


Bioorg Med Chem Lett 15: 567-71 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.056
BindingDB Entry DOI: 10.7270/Q22R3SDV
More data for this
Ligand-Target Pair
Carbonic Anhydrase XV


(Mus musculus (mouse))
BDBM26990
PNG
(CHEMBL1644699 | CHEMBL38703 | HS anion | HS(-1) | ...)
Show InChI InChI=1S/H2S/h1H2/p-1
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9.20E+3n/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 XV


(Mus musculus (mouse))
BDBM26984
PNG
(CHEMBL1644697 | CN(-1) | cyanide | iminomethanide)
Show InChI InChI=1S/CN/c1-2/q-1
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9.40E+3n/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 XV


(Mus musculus (mouse))
BDBM26992
PNG
(CHEMBL183495 | SO4(2-) | SODIUM SULFATE | sulfate ...)
Show SMILES [O-]S([O-])(=O)=O
Show InChI InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2
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PubMed
9.50E+3n/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
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Activity Spreadsheet -- ITC Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this search
Cell (A)Syringe (B)Cell
Links
Syringe
Links
Cell + Syr
Links
ΔG°
kJ/mole
-TΔS°
kJ/mole
ΔH°
kJ/mole
log KpHTemp
°C
BDBM36127
JPEG
BDBM26983
JPEG
CHEBI
PC cid
PC sid
CHEBI
MMDB
PC cid
PC sid
PDB
-5.7011.0-16.516.9025



Japan Science and Technology Agency





J Am Chem Soc 124: 813-26 (2002)

BDBM11
JPEG
BDBM26983
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
MMDB
PC cid
PC sid
PDB
-414.0-180.6996.9025



Japan Science and Technology Agency





J Am Chem Soc 124: 813-26 (2002)