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BDBM50152968 Blausaeure::CHEMBL183419::Cyanwasserstoff::[CHN]::formonitrile::hydridonitridocarbonhydrogen(nitridocarbonate)methanenitrile::hydrocyanic acid::hydrogen cyanide

SMILES: C#N

InChI Key: InChIKey=LELOWRISYMNNSU-UHFFFAOYSA-N

Data: 18 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 50152968   
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))
BDBM50152968
PNG
(Blausaeure | CHEMBL183419 | Cyanwasserstoff | [CHN...)
Show InChI InChI=1S/CHN/c1-2/h1H
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PubMed
500n/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 1


(Homo sapiens (Human))
BDBM50152968
PNG
(Blausaeure | CHEMBL183419 | Cyanwasserstoff | [CHN...)
Show InChI InChI=1S/CHN/c1-2/h1H
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500n/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))
BDBM50152968
PNG
(Blausaeure | CHEMBL183419 | Cyanwasserstoff | [CHN...)
Show InChI InChI=1S/CHN/c1-2/h1H
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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 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 1


(Homo sapiens (Human))
BDBM50152968
PNG
(Blausaeure | CHEMBL183419 | Cyanwasserstoff | [CHN...)
Show InChI InChI=1S/CHN/c1-2/h1H
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500n/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 1


(Homo sapiens (Human))
BDBM50152968
PNG
(Blausaeure | CHEMBL183419 | Cyanwasserstoff | [CHN...)
Show InChI InChI=1S/CHN/c1-2/h1H
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500n/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 9


(Homo sapiens (Human))
BDBM50152968
PNG
(Blausaeure | CHEMBL183419 | Cyanwasserstoff | [CHN...)
Show InChI InChI=1S/CHN/c1-2/h1H
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4.00E+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 2


(Homo sapiens (Human))
BDBM50152968
PNG
(Blausaeure | CHEMBL183419 | Cyanwasserstoff | [CHN...)
Show InChI InChI=1S/CHN/c1-2/h1H
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2.00E+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 2


(Homo sapiens (Human))
BDBM50152968
PNG
(Blausaeure | CHEMBL183419 | Cyanwasserstoff | [CHN...)
Show InChI InChI=1S/CHN/c1-2/h1H
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2.00E+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 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 2


(Homo sapiens (Human))
BDBM50152968
PNG
(Blausaeure | CHEMBL183419 | Cyanwasserstoff | [CHN...)
Show InChI InChI=1S/CHN/c1-2/h1H
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2.00E+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 2


(Homo sapiens (Human))
BDBM50152968
PNG
(Blausaeure | CHEMBL183419 | Cyanwasserstoff | [CHN...)
Show InChI InChI=1S/CHN/c1-2/h1H
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2.00E+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 2


(Homo sapiens (Human))
BDBM50152968
PNG
(Blausaeure | CHEMBL183419 | Cyanwasserstoff | [CHN...)
Show InChI InChI=1S/CHN/c1-2/h1H
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2.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory constant against carbonic anhydrase II


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 XIII


(Mus musculus (mouse))
BDBM50152968
PNG
(Blausaeure | CHEMBL183419 | Cyanwasserstoff | [CHN...)
Show InChI InChI=1S/CHN/c1-2/h1H
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6.50E+4n/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 6 (CA-VI)


(Homo sapiens (Human))
BDBM50152968
PNG
(Blausaeure | CHEMBL183419 | Cyanwasserstoff | [CHN...)
Show InChI InChI=1S/CHN/c1-2/h1H
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7.00E+4n/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
Alpha carbonic anhydrase


(Stylophora pistillata)
BDBM50152968
PNG
(Blausaeure | CHEMBL183419 | Cyanwasserstoff | [CHN...)
Show InChI InChI=1S/CHN/c1-2/h1H
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5.80E+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 4


(Homo sapiens (Human))
BDBM50152968
PNG
(Blausaeure | CHEMBL183419 | Cyanwasserstoff | [CHN...)
Show InChI InChI=1S/CHN/c1-2/h1H
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7.70E+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


(Stylophora pistillata)
BDBM50152968
PNG
(Blausaeure | CHEMBL183419 | Cyanwasserstoff | [CHN...)
Show InChI InChI=1S/CHN/c1-2/h1H
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8.60E+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 7


(Homo sapiens (Human))
BDBM50152968
PNG
(Blausaeure | CHEMBL183419 | Cyanwasserstoff | [CHN...)
Show InChI InChI=1S/CHN/c1-2/h1H
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Article
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9.20E+6n/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


(Methanobacterium thermoautotrophicum)
BDBM50152968
PNG
(Blausaeure | CHEMBL183419 | Cyanwasserstoff | [CHN...)
Show InChI InChI=1S/CHN/c1-2/h1H
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2.78E+7n/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