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BDBM50010231 CHEMBL107217::Ditiocarb sodium::Sodium salt of Diethyl-dithiocarbamic acid(DDC)::US9180183, DDTC::sodium N,N-diethyl-dithiocarbamate::sodium diethyldithiocarbamate

SMILES: CCN(CC)C([S-])=S

InChI Key: InChIKey=LMBWSYZSUOEYSN-UHFFFAOYSA-M

Data: 39 KI  1 IC50

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 40 hits for monomerid = 50010231   
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 2, isoform A


(Drosophila melanogaster)
BDBM50010231
PNG
(CHEMBL107217 | Ditiocarb sodium | Sodium salt of D...)
Show SMILES CCN(CC)C([S-])=S
Show InChI InChI=1S/C5H11NS2/c1-3-6(4-2)5(7)8/h3-4H2,1-2H3,(H,7,8)/p-1
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654n/an/an/an/an/an/an/an/a



University of Tampere and Tampere University Hospital

Curated by ChEMBL


Assay Description
Inhibition of Drosophila melanogaster recombinant carbonic anhydrase-2 expressed in Escherichia coli BL21 (DE3) preincubated for 15 mins by CO2 hydra...


Bioorg Med Chem 21: 1516-21 (2013)


Article DOI: 10.1016/j.bmc.2012.08.046
BindingDB Entry DOI: 10.7270/Q2HT2QNH
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50010231
PNG
(CHEMBL107217 | Ditiocarb sodium | Sodium salt of D...)
Show SMILES CCN(CC)C([S-])=S
Show InChI InChI=1S/C5H11NS2/c1-3-6(4-2)5(7)8/h3-4H2,1-2H3,(H,7,8)/p-1
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790n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 1855-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.088
BindingDB Entry DOI: 10.7270/Q27H1KH3
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50010231
PNG
(CHEMBL107217 | Ditiocarb sodium | Sodium salt of D...)
Show SMILES CCN(CC)C([S-])=S
Show InChI InChI=1S/C5H11NS2/c1-3-6(4-2)5(7)8/h3-4H2,1-2H3,(H,7,8)/p-1
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790n/an/an/an/an/an/an/an/a



Radboud University Nijmegen Medical Centre

Curated by ChEMBL


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


Bioorg Med Chem 19: 243-8 (2011)


Article DOI: 10.1016/j.bmc.2010.11.031
BindingDB Entry DOI: 10.7270/Q2B858D2
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50010231
PNG
(CHEMBL107217 | Ditiocarb sodium | Sodium salt of D...)
Show SMILES CCN(CC)C([S-])=S
Show InChI InChI=1S/C5H11NS2/c1-3-6(4-2)5(7)8/h3-4H2,1-2H3,(H,7,8)/p-1
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790n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA1 pre-incubated for 15 mins by stopped-flow CO2 hydration method


J Med Chem 55: 1721-30 (2012)


Article DOI: 10.1021/jm300031j
BindingDB Entry DOI: 10.7270/Q2GQ6ZSC
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50010231
PNG
(CHEMBL107217 | Ditiocarb sodium | Sodium salt of D...)
Show SMILES CCN(CC)C([S-])=S
Show InChI InChI=1S/C5H11NS2/c1-3-6(4-2)5(7)8/h3-4H2,1-2H3,(H,7,8)/p-1
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790n/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 12


(Homo sapiens (Human))
BDBM50010231
PNG
(CHEMBL107217 | Ditiocarb sodium | Sodium salt of D...)
Show SMILES CCN(CC)C([S-])=S
Show InChI InChI=1S/C5H11NS2/c1-3-6(4-2)5(7)8/h3-4H2,1-2H3,(H,7,8)/p-1
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1.11E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA12 pre-incubated for 15 mins by stopped-flow CO2 hydration method


J Med Chem 55: 1721-30 (2012)


Article DOI: 10.1021/jm300031j
BindingDB Entry DOI: 10.7270/Q2GQ6ZSC
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50010231
PNG
(CHEMBL107217 | Ditiocarb sodium | Sodium salt of D...)
Show SMILES CCN(CC)C([S-])=S
Show InChI InChI=1S/C5H11NS2/c1-3-6(4-2)5(7)8/h3-4H2,1-2H3,(H,7,8)/p-1
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1.41E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA9 pre-incubated for 15 mins by stopped-flow CO2 hydration method


J Med Chem 55: 1721-30 (2012)


Article DOI: 10.1021/jm300031j
BindingDB Entry DOI: 10.7270/Q2GQ6ZSC
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Drosophila melanogaster)
BDBM50010231
PNG
(CHEMBL107217 | Ditiocarb sodium | Sodium salt of D...)
Show SMILES CCN(CC)C([S-])=S
Show InChI InChI=1S/C5H11NS2/c1-3-6(4-2)5(7)8/h3-4H2,1-2H3,(H,7,8)/p-1
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2.36E+3n/an/an/an/an/an/an/an/a



University of Tampere and Tampere University Hospital

Curated by ChEMBL


Assay Description
Inhibition of Drosophila melanogaster recombinant carbonic anhydrase-1 expressed in Escherichia coli BL21 (DE3) preincubated for 15 mins by CO2 hydra...


Bioorg Med Chem 21: 1516-21 (2013)


Article DOI: 10.1016/j.bmc.2012.08.046
BindingDB Entry DOI: 10.7270/Q2HT2QNH
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50010231
PNG
(CHEMBL107217 | Ditiocarb sodium | Sodium salt of D...)
Show SMILES CCN(CC)C([S-])=S
Show InChI InChI=1S/C5H11NS2/c1-3-6(4-2)5(7)8/h3-4H2,1-2H3,(H,7,8)/p-1
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3.10E+3n/an/an/an/an/an/an/an/a



Radboud University Nijmegen Medical Centre

Curated by ChEMBL


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


Bioorg Med Chem 19: 243-8 (2011)


Article DOI: 10.1016/j.bmc.2010.11.031
BindingDB Entry DOI: 10.7270/Q2B858D2
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50010231
PNG
(CHEMBL107217 | Ditiocarb sodium | Sodium salt of D...)
Show SMILES CCN(CC)C([S-])=S
Show InChI InChI=1S/C5H11NS2/c1-3-6(4-2)5(7)8/h3-4H2,1-2H3,(H,7,8)/p-1
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3.10E+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 2 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 2


(Homo sapiens (Human))
BDBM50010231
PNG
(CHEMBL107217 | Ditiocarb sodium | Sodium salt of D...)
Show SMILES CCN(CC)C([S-])=S
Show InChI InChI=1S/C5H11NS2/c1-3-6(4-2)5(7)8/h3-4H2,1-2H3,(H,7,8)/p-1
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3.10E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA2 pre-incubated for 15 mins by stopped-flow CO2 hydration method


J Med Chem 55: 1721-30 (2012)


Article DOI: 10.1021/jm300031j
BindingDB Entry DOI: 10.7270/Q2GQ6ZSC
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50010231
PNG
(CHEMBL107217 | Ditiocarb sodium | Sodium salt of D...)
Show SMILES CCN(CC)C([S-])=S
Show InChI InChI=1S/C5H11NS2/c1-3-6(4-2)5(7)8/h3-4H2,1-2H3,(H,7,8)/p-1
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3.10E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2-catalyzed CO2 hydration by stopped flow assay


Bioorg Med Chem Lett 19: 1855-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.088
BindingDB Entry DOI: 10.7270/Q27H1KH3
More data for this
Ligand-Target Pair
α-Carbonic anhydrase (αCA)


(Helicobacter pylori)
BDBM50010231
PNG
(CHEMBL107217 | Ditiocarb sodium | Sodium salt of D...)
Show SMILES CCN(CC)C([S-])=S
Show InChI InChI=1S/C5H11NS2/c1-3-6(4-2)5(7)8/h3-4H2,1-2H3,(H,7,8)/p-1
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4.90E+3 -7.24n/an/an/an/an/a7.525



UniversitÓ 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
Alpha-carbonic anhydrase


(Helicobacter pylori (strain G27))
BDBM50010231
PNG
(CHEMBL107217 | Ditiocarb sodium | Sodium salt of D...)
Show SMILES CCN(CC)C([S-])=S
Show InChI InChI=1S/C5H11NS2/c1-3-6(4-2)5(7)8/h3-4H2,1-2H3,(H,7,8)/p-1
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5.00E+3 -7.11n/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
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50010231
PNG
(CHEMBL107217 | Ditiocarb sodium | Sodium salt of D...)
Show SMILES CCN(CC)C([S-])=S
Show InChI InChI=1S/C5H11NS2/c1-3-6(4-2)5(7)8/h3-4H2,1-2H3,(H,7,8)/p-1
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6.50E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 4-catalyzed CO2 hydration by stopped flow assay


Bioorg Med Chem Lett 19: 1855-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.088
BindingDB Entry DOI: 10.7270/Q27H1KH3
More data for this
Ligand-Target Pair
β-Carbonic anhydrase (βCA)


(Helicobacter pylori)
BDBM50010231
PNG
(CHEMBL107217 | Ditiocarb sodium | Sodium salt of D...)
Show SMILES CCN(CC)C([S-])=S
Show InChI InChI=1S/C5H11NS2/c1-3-6(4-2)5(7)8/h3-4H2,1-2H3,(H,7,8)/p-1
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PubMed
7.40E+3 -6.99n/an/an/an/an/a7.525



UniversitÓ 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
Alpha-carbonic anhydrase


(Vibrio cholerae)
BDBM50010231
PNG
(CHEMBL107217 | Ditiocarb sodium | Sodium salt of D...)
Show SMILES CCN(CC)C([S-])=S
Show InChI InChI=1S/C5H11NS2/c1-3-6(4-2)5(7)8/h3-4H2,1-2H3,(H,7,8)/p-1
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4.30E+4 -5.85n/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 XIII


(Mus musculus (mouse))
BDBM50010231
PNG
(CHEMBL107217 | Ditiocarb sodium | Sodium salt of D...)
Show SMILES CCN(CC)C([S-])=S
Show InChI InChI=1S/C5H11NS2/c1-3-6(4-2)5(7)8/h3-4H2,1-2H3,(H,7,8)/p-1
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5.60E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant carbonic anhydrase 13-catalyzed CO2 hydration by stopped flow assay


Bioorg Med Chem Lett 19: 1855-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.088
BindingDB Entry DOI: 10.7270/Q27H1KH3
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...)
BDBM50010231
PNG
(CHEMBL107217 | Ditiocarb sodium | Sodium salt of D...)
Show SMILES CCN(CC)C([S-])=S
Show InChI InChI=1S/C5H11NS2/c1-3-6(4-2)5(7)8/h3-4H2,1-2H3,(H,7,8)/p-1
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3.30E+5n/an/an/an/an/an/a8.3n/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-2 by CO2 hydration reaction based colorimetric stopped-flow method


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
Gamma-carbonic anhydrase


(Vibrio cholerae)
BDBM50010231
PNG
(CHEMBL107217 | Ditiocarb sodium | Sodium salt of D...)
Show SMILES CCN(CC)C([S-])=S
Show InChI InChI=1S/C5H11NS2/c1-3-6(4-2)5(7)8/h3-4H2,1-2H3,(H,7,8)/p-1
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4.40E+5 -4.50n/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
Astrosclerin-3


(Astrosclera willeyana)
BDBM50010231
PNG
(CHEMBL107217 | Ditiocarb sodium | Sodium salt of D...)
Show SMILES CCN(CC)C([S-])=S
Show InChI InChI=1S/C5H11NS2/c1-3-6(4-2)5(7)8/h3-4H2,1-2H3,(H,7,8)/p-1
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4.50E+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
Beta-carbonic anhydrase


(Vibrio cholerae)
BDBM50010231
PNG
(CHEMBL107217 | Ditiocarb sodium | Sodium salt of D...)
Show SMILES CCN(CC)C([S-])=S
Show InChI InChI=1S/C5H11NS2/c1-3-6(4-2)5(7)8/h3-4H2,1-2H3,(H,7,8)/p-1
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PubMed
7.30E+5 -4.20n/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 1


(Homo sapiens (Human))
BDBM50010231
PNG
(CHEMBL107217 | Ditiocarb sodium | Sodium salt of D...)
Show SMILES CCN(CC)C([S-])=S
Show InChI InChI=1S/C5H11NS2/c1-3-6(4-2)5(7)8/h3-4H2,1-2H3,(H,7,8)/p-1
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PubMed
7.90E+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 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))
BDBM50010231
PNG
(CHEMBL107217 | Ditiocarb sodium | Sodium salt of D...)
Show SMILES CCN(CC)C([S-])=S
Show InChI InChI=1S/C5H11NS2/c1-3-6(4-2)5(7)8/h3-4H2,1-2H3,(H,7,8)/p-1
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PubMed
7.90E+5n/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))
BDBM50010231
PNG
(CHEMBL107217 | Ditiocarb sodium | Sodium salt of D...)
Show SMILES CCN(CC)C([S-])=S
Show InChI InChI=1S/C5H11NS2/c1-3-6(4-2)5(7)8/h3-4H2,1-2H3,(H,7,8)/p-1
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7.90E+5 -4.16n/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))
BDBM50010231
PNG
(CHEMBL107217 | Ditiocarb sodium | Sodium salt of D...)
Show SMILES CCN(CC)C([S-])=S
Show InChI InChI=1S/C5H11NS2/c1-3-6(4-2)5(7)8/h3-4H2,1-2H3,(H,7,8)/p-1
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7.90E+5n/an/an/an/an/an/an/an/a



Slovak Academy of Sciences

Curated by ChEMBL


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


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))
BDBM50010231
PNG
(CHEMBL107217 | Ditiocarb sodium | Sodium salt of D...)
Show SMILES CCN(CC)C([S-])=S
Show InChI InChI=1S/C5H11NS2/c1-3-6(4-2)5(7)8/h3-4H2,1-2H3,(H,7,8)/p-1
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7.90E+5n/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 7


(Homo sapiens (Human))
BDBM50010231
PNG
(CHEMBL107217 | Ditiocarb sodium | Sodium salt of D...)
Show SMILES CCN(CC)C([S-])=S
Show InChI InChI=1S/C5H11NS2/c1-3-6(4-2)5(7)8/h3-4H2,1-2H3,(H,7,8)/p-1
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PubMed
1.47E+6n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 7-catalyzed CO2 hydration by stopped flow assay


Bioorg Med Chem Lett 19: 1855-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.088
BindingDB Entry DOI: 10.7270/Q27H1KH3
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50010231
PNG
(CHEMBL107217 | Ditiocarb sodium | Sodium salt of D...)
Show SMILES CCN(CC)C([S-])=S
Show InChI InChI=1S/C5H11NS2/c1-3-6(4-2)5(7)8/h3-4H2,1-2H3,(H,7,8)/p-1
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PubMed
3.10E+6n/an/an/an/an/an/an/an/a



Istituto di Bioscienze e Biorisorse, CNR

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 assessed as inhibition of CO2 hydration incubated for 15 mins prior to testing by stopped flow C...


Bioorg Med Chem 25: 2010-2015 (2017)


Article DOI: 10.1016/j.bmc.2017.02.032
BindingDB Entry DOI: 10.7270/Q2JD5012
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50010231
PNG
(CHEMBL107217 | Ditiocarb sodium | Sodium salt of D...)
Show SMILES CCN(CC)C([S-])=S
Show InChI InChI=1S/C5H11NS2/c1-3-6(4-2)5(7)8/h3-4H2,1-2H3,(H,7,8)/p-1
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3.10E+6n/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 2


(Homo sapiens (Human))
BDBM50010231
PNG
(CHEMBL107217 | Ditiocarb sodium | Sodium salt of D...)
Show SMILES CCN(CC)C([S-])=S
Show InChI InChI=1S/C5H11NS2/c1-3-6(4-2)5(7)8/h3-4H2,1-2H3,(H,7,8)/p-1
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3.10E+6n/an/an/an/an/an/an/an/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 2


(Homo sapiens (Human))
BDBM50010231
PNG
(CHEMBL107217 | Ditiocarb sodium | Sodium salt of D...)
Show SMILES CCN(CC)C([S-])=S
Show InChI InChI=1S/C5H11NS2/c1-3-6(4-2)5(7)8/h3-4H2,1-2H3,(H,7,8)/p-1
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3.10E+6n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human cytosolic carbonic anhydrase 2 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 2


(Homo sapiens (Human))
BDBM50010231
PNG
(CHEMBL107217 | Ditiocarb sodium | Sodium salt of D...)
Show SMILES CCN(CC)C([S-])=S
Show InChI InChI=1S/C5H11NS2/c1-3-6(4-2)5(7)8/h3-4H2,1-2H3,(H,7,8)/p-1
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3.10E+6n/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))
BDBM50010231
PNG
(CHEMBL107217 | Ditiocarb sodium | Sodium salt of D...)
Show SMILES CCN(CC)C([S-])=S
Show InChI InChI=1S/C5H11NS2/c1-3-6(4-2)5(7)8/h3-4H2,1-2H3,(H,7,8)/p-1
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3.10E+6n/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 method


Bioorg Med Chem Lett 24: 4402-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.014
BindingDB Entry DOI: 10.7270/Q2348N4M
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50010231
PNG
(CHEMBL107217 | Ditiocarb sodium | Sodium salt of D...)
Show SMILES CCN(CC)C([S-])=S
Show InChI InChI=1S/C5H11NS2/c1-3-6(4-2)5(7)8/h3-4H2,1-2H3,(H,7,8)/p-1
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3.10E+6n/an/an/an/an/an/an/an/a



Istituto di Bioscienze e Biorisorse

Curated by ChEMBL


Assay Description
Inhibition of human CA2 after 15 mins by stopped-flow/Co2 hydration assay


Bioorg Med Chem 23: 4405-9 (2015)


Article DOI: 10.1016/j.bmc.2015.06.021
BindingDB Entry DOI: 10.7270/Q2JD4ZJ0
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50010231
PNG
(CHEMBL107217 | Ditiocarb sodium | Sodium salt of D...)
Show SMILES CCN(CC)C([S-])=S
Show InChI InChI=1S/C5H11NS2/c1-3-6(4-2)5(7)8/h3-4H2,1-2H3,(H,7,8)/p-1
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3.10E+6 -3.36n/an/an/an/an/a7.520



Universit£ degli Studi di Firenze



Assay Description
Inhibition of Helicobacter pylori 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
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50010231
PNG
(CHEMBL107217 | Ditiocarb sodium | Sodium salt of D...)
Show SMILES CCN(CC)C([S-])=S
Show InChI InChI=1S/C5H11NS2/c1-3-6(4-2)5(7)8/h3-4H2,1-2H3,(H,7,8)/p-1
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3.10E+6n/an/an/an/an/an/an/an/a



Slovak Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 by stopped flow CO2 hydration assay


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 2


(Homo sapiens (Human))
BDBM50010231
PNG
(CHEMBL107217 | Ditiocarb sodium | Sodium salt of D...)
Show SMILES CCN(CC)C([S-])=S
Show InChI InChI=1S/C5H11NS2/c1-3-6(4-2)5(7)8/h3-4H2,1-2H3,(H,7,8)/p-1
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3.10E+6n/an/an/an/an/an/an/an/a



Italy; Universit£ degliStudi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 assessed as inhibition of CO2 hydration preincubated for 15 mins by Lineweaver-burk plot method


Bioorg Med Chem 25: 575-580 (2017)


Article DOI: 10.1016/j.bmc.2016.11.021
BindingDB Entry DOI: 10.7270/Q2M047FF
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50010231
PNG
(CHEMBL107217 | Ditiocarb sodium | Sodium salt of D...)
Show SMILES CCN(CC)C([S-])=S
Show InChI InChI=1S/C5H11NS2/c1-3-6(4-2)5(7)8/h3-4H2,1-2H3,(H,7,8)/p-1
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3.10E+6n/an/an/an/an/an/an/an/a



Istituto di Biostrutture e Bioimmagini

Curated by ChEMBL


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


Bioorg Med Chem Lett 23: 1626-30 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.087
BindingDB Entry DOI: 10.7270/Q23X8806
More data for this
Ligand-Target Pair
Cytochrome P450 2E1


(Homo sapiens (Human))
BDBM50010231
PNG
(CHEMBL107217 | Ditiocarb sodium | Sodium salt of D...)
Show SMILES CCN(CC)C([S-])=S
Show InChI InChI=1S/C5H11NS2/c1-3-6(4-2)5(7)8/h3-4H2,1-2H3,(H,7,8)/p-1
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US Patent
n/an/a 850n/an/an/an/an/a37



Telormedix SA

US Patent


Assay Description
The interaction of SC12 with cytochrome P450 enzymes was tested using Fluorescent High Throughput P450 assays (Gentest); The IC50s of the compounds w...


US Patent US9180183 (2015)


BindingDB Entry DOI: 10.7270/Q2B27T2W
More data for this
Ligand-Target Pair