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Compile Data Set for Download or QSAR

Found 18 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50278323'   
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 2


(Homo sapiens (Human))
BDBM50278323
PNG
(CHEMBL471245 | sodium trithiocarbonate)
Show SMILES [S-]C([S-])=S
Show InChI InChI=1S/CH2S3/c2-1(3)4/h(H2,2,3,4)/p-2
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8.80E+3 -28.4n/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))
BDBM50278323
PNG
(CHEMBL471245 | sodium trithiocarbonate)
Show SMILES [S-]C([S-])=S
Show InChI InChI=1S/CH2S3/c2-1(3)4/h(H2,2,3,4)/p-2
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8.80E+3n/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))
BDBM50278323
PNG
(CHEMBL471245 | sodium trithiocarbonate)
Show SMILES [S-]C([S-])=S
Show InChI InChI=1S/CH2S3/c2-1(3)4/h(H2,2,3,4)/p-2
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8.80E+3n/an/an/an/an/an/an/an/a



Kochi Medical School

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 1127-32 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.124
BindingDB Entry DOI: 10.7270/Q2FX7DDZ
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50278323
PNG
(CHEMBL471245 | sodium trithiocarbonate)
Show SMILES [S-]C([S-])=S
Show InChI InChI=1S/CH2S3/c2-1(3)4/h(H2,2,3,4)/p-2
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8.80E+3n/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))
BDBM50278323
PNG
(CHEMBL471245 | sodium trithiocarbonate)
Show SMILES [S-]C([S-])=S
Show InChI InChI=1S/CH2S3/c2-1(3)4/h(H2,2,3,4)/p-2
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8.80E+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))
BDBM50278323
PNG
(CHEMBL471245 | sodium trithiocarbonate)
Show SMILES [S-]C([S-])=S
Show InChI InChI=1S/CH2S3/c2-1(3)4/h(H2,2,3,4)/p-2
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8.80E+3n/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))
BDBM50278323
PNG
(CHEMBL471245 | sodium trithiocarbonate)
Show SMILES [S-]C([S-])=S
Show InChI InChI=1S/CH2S3/c2-1(3)4/h(H2,2,3,4)/p-2
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8.80E+3n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-2 by 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
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50278323
PNG
(CHEMBL471245 | sodium trithiocarbonate)
Show SMILES [S-]C([S-])=S
Show InChI InChI=1S/CH2S3/c2-1(3)4/h(H2,2,3,4)/p-2
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8.80E+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))
BDBM50278323
PNG
(CHEMBL471245 | sodium trithiocarbonate)
Show SMILES [S-]C([S-])=S
Show InChI InChI=1S/CH2S3/c2-1(3)4/h(H2,2,3,4)/p-2
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8.80E+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 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))
BDBM50278323
PNG
(CHEMBL471245 | sodium trithiocarbonate)
Show SMILES [S-]C([S-])=S
Show InChI InChI=1S/CH2S3/c2-1(3)4/h(H2,2,3,4)/p-2
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8.80E+3n/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
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50278323
PNG
(CHEMBL471245 | sodium trithiocarbonate)
Show SMILES [S-]C([S-])=S
Show InChI InChI=1S/CH2S3/c2-1(3)4/h(H2,2,3,4)/p-2
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8.80E+3n/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))
BDBM50278323
PNG
(CHEMBL471245 | sodium trithiocarbonate)
Show SMILES [S-]C([S-])=S
Show InChI InChI=1S/CH2S3/c2-1(3)4/h(H2,2,3,4)/p-2
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8.80E+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
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50278323
PNG
(CHEMBL471245 | sodium trithiocarbonate)
Show SMILES [S-]C([S-])=S
Show InChI InChI=1S/CH2S3/c2-1(3)4/h(H2,2,3,4)/p-2
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8.80E+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 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))
BDBM50278323
PNG
(CHEMBL471245 | sodium trithiocarbonate)
Show SMILES [S-]C([S-])=S
Show InChI InChI=1S/CH2S3/c2-1(3)4/h(H2,2,3,4)/p-2
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8.80E+3n/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))
BDBM50278323
PNG
(CHEMBL471245 | sodium trithiocarbonate)
Show SMILES [S-]C([S-])=S
Show InChI InChI=1S/CH2S3/c2-1(3)4/h(H2,2,3,4)/p-2
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8.80E+3n/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))
BDBM50278323
PNG
(CHEMBL471245 | sodium trithiocarbonate)
Show SMILES [S-]C([S-])=S
Show InChI InChI=1S/CH2S3/c2-1(3)4/h(H2,2,3,4)/p-2
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8.80E+3n/an/an/an/an/an/an/an/a



CNR

Curated by ChEMBL


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


Bioorg Med Chem 25: 4800-4804 (2017)


Article DOI: 10.1016/j.bmc.2017.07.033
BindingDB Entry DOI: 10.7270/Q2028V0P
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50278323
PNG
(CHEMBL471245 | sodium trithiocarbonate)
Show SMILES [S-]C([S-])=S
Show InChI InChI=1S/CH2S3/c2-1(3)4/h(H2,2,3,4)/p-2
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9.30E+4n/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-2


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 2


(Homo sapiens (Human))
BDBM50278323
PNG
(CHEMBL471245 | sodium trithiocarbonate)
Show SMILES [S-]C([S-])=S
Show InChI InChI=1S/CH2S3/c2-1(3)4/h(H2,2,3,4)/p-2
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4.60E+5 -18.7n/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