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SMILES: [N-]=C=O

InChI Key: InChIKey=IQPQWNKOIGAROB-UHFFFAOYSA-N

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 26 hits for monomerid = 26982   
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 1


(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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PubMed
700 -8.25n/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))
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 4


(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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6.10E+5n/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 15 [19-324]


(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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2.76E+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 1


(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 2


(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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3.00E+4n/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 6


(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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6.90E+5n/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


(Stylophora pistillata)
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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5.90E+5n/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


(Stylophora pistillata)
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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6.90E+5n/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 1


(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 2


(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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3.00E+4n/an/an/an/an/an/a7.5n/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 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 1


(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 2


(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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3.00E+4n/an/an/an/an/an/a8.3n/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 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


(Astrosclera willeyana)
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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2.30E+5n/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
Carbonic anhydrase 1


(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 2


(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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3.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II 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 13


(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 9


(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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4.00E+4n/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 1


(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 4


(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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6.10E+5n/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 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 2


(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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3.00E+4n/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 II


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 7


(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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PubMed
1.52E+7n/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 1


(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 2


(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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3.00E+4n/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 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))
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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3.00E+4n/an/an/an/an/an/an/an/a



Kochi Medical School

Curated by ChEMBL


Assay Description
Inhibition of human recombinant wild type CA2 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 2


(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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Article
PubMed
3.00E+4 -6.06n/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