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PubMed code 28024887

Compile data set for download or QSAR
Found 52 hits of Enzyme Inhibition Constant Data   
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


(Homo sapiens (Human))
BDBM50207820
PNG
(CHEMBL3985384)
Show SMILES NS(=O)(=O)c1ccc(SCc2ccc(OC(F)(F)F)cc2)s1
PDB
MMDB

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0.820n/an/an/an/an/an/an/an/a



Riga Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane tumor associated carbonic anhydrase 12 preincubated for 10 mins prior to testing by stopped-flow CO2 hy...


Bioorg Med Chem 25: 857-863 (2017)


Article DOI: 10.1016/j.bmc.2016.11.045
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50207818
PNG
(CHEMBL3956725)
Show SMILES NS(=O)(=O)c1ccc(SCc2ccc(cc2)C(F)(F)F)s1
PDB
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0.940n/an/an/an/an/an/an/an/a



Riga Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane tumor associated carbonic anhydrase 9 preincubated for 10 mins prior to testing by stopped-flow CO2 hyd...


Bioorg Med Chem 25: 857-863 (2017)


Article DOI: 10.1016/j.bmc.2016.11.045
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50207818
PNG
(CHEMBL3956725)
Show SMILES NS(=O)(=O)c1ccc(SCc2ccc(cc2)C(F)(F)F)s1
PDB
MMDB

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1.5n/an/an/an/an/an/an/an/a



Riga Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane tumor associated carbonic anhydrase 12 preincubated for 10 mins prior to testing by stopped-flow CO2 hy...


Bioorg Med Chem 25: 857-863 (2017)


Article DOI: 10.1016/j.bmc.2016.11.045
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50207820
PNG
(CHEMBL3985384)
Show SMILES NS(=O)(=O)c1ccc(SCc2ccc(OC(F)(F)F)cc2)s1
PDB
MMDB

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1.70n/an/an/an/an/an/an/an/a



Riga Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane tumor associated carbonic anhydrase 9 preincubated for 10 mins prior to testing by stopped-flow CO2 hyd...


Bioorg Med Chem 25: 857-863 (2017)


Article DOI: 10.1016/j.bmc.2016.11.045
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50207736
PNG
(CHEMBL3947437)
Show SMILES NS(=O)(=O)c1ccc(SCc2ccc(Cl)cc2)s1
PDB
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2.90n/an/an/an/an/an/an/an/a



Riga Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic carbonic anhydrase 2 preincubated for 10 mins prior to testing by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 857-863 (2017)


Article DOI: 10.1016/j.bmc.2016.11.045
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50207818
PNG
(CHEMBL3956725)
Show SMILES NS(=O)(=O)c1ccc(SCc2ccc(cc2)C(F)(F)F)s1
PDB
MMDB

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3.70n/an/an/an/an/an/an/an/a



Riga Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic carbonic anhydrase 2 preincubated for 10 mins prior to testing by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 857-863 (2017)


Article DOI: 10.1016/j.bmc.2016.11.045
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50207737
PNG
(CHEMBL3928543)
Show SMILES NS(=O)(=O)c1ccc(SCc2ccc(F)cc2)s1
PDB
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4.40n/an/an/an/an/an/an/an/a



Riga Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic carbonic anhydrase 2 preincubated for 10 mins prior to testing by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 857-863 (2017)


Article DOI: 10.1016/j.bmc.2016.11.045
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50207820
PNG
(CHEMBL3985384)
Show SMILES NS(=O)(=O)c1ccc(SCc2ccc(OC(F)(F)F)cc2)s1
PDB
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5.10n/an/an/an/an/an/an/an/a



Riga Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic carbonic anhydrase 2 preincubated for 10 mins prior to testing by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 857-863 (2017)


Article DOI: 10.1016/j.bmc.2016.11.045
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50207736
PNG
(CHEMBL3947437)
Show SMILES NS(=O)(=O)c1ccc(SCc2ccc(Cl)cc2)s1
PDB
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5.20n/an/an/an/an/an/an/an/a



Riga Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane tumor associated carbonic anhydrase 12 preincubated for 10 mins prior to testing by stopped-flow CO2 hy...


Bioorg Med Chem 25: 857-863 (2017)


Article DOI: 10.1016/j.bmc.2016.11.045
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50207844
PNG
(CHEMBL3912159)
Show SMILES NS(=O)(=O)c1ccc(SCc2ccccc2)s1
PDB
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5.40n/an/an/an/an/an/an/an/a



Riga Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane tumor associated carbonic anhydrase 9 preincubated for 10 mins prior to testing by stopped-flow CO2 hyd...


Bioorg Med Chem 25: 857-863 (2017)


Article DOI: 10.1016/j.bmc.2016.11.045
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50207843
PNG
(CHEMBL3956141)
Show SMILES COc1ccc(CSc2ccc(s2)S(N)(=O)=O)cc1
PDB
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5.5n/an/an/an/an/an/an/an/a



Riga Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic carbonic anhydrase 2 preincubated for 10 mins prior to testing by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 857-863 (2017)


Article DOI: 10.1016/j.bmc.2016.11.045
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
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5.60n/an/an/an/an/an/an/an/a



Riga Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane tumor associated carbonic anhydrase 12 preincubated for 10 mins prior to testing by stopped-flow CO2 hy...


Bioorg Med Chem 25: 857-863 (2017)


Article DOI: 10.1016/j.bmc.2016.11.045
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50207815
PNG
(CHEMBL3977311)
Show SMILES NS(=O)(=O)c1ccc(SCc2ccc3ccccc3c2)s1
PDB
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5.90n/an/an/an/an/an/an/an/a



Riga Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane tumor associated carbonic anhydrase 12 preincubated for 10 mins prior to testing by stopped-flow CO2 hy...


Bioorg Med Chem 25: 857-863 (2017)


Article DOI: 10.1016/j.bmc.2016.11.045
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50207843
PNG
(CHEMBL3956141)
Show SMILES COc1ccc(CSc2ccc(s2)S(N)(=O)=O)cc1
PDB
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6.10n/an/an/an/an/an/an/an/a



Riga Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane tumor associated carbonic anhydrase 9 preincubated for 10 mins prior to testing by stopped-flow CO2 hyd...


Bioorg Med Chem 25: 857-863 (2017)


Article DOI: 10.1016/j.bmc.2016.11.045
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50207736
PNG
(CHEMBL3947437)
Show SMILES NS(=O)(=O)c1ccc(SCc2ccc(Cl)cc2)s1
PDB
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7n/an/an/an/an/an/an/an/a



Riga Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane tumor associated carbonic anhydrase 9 preincubated for 10 mins prior to testing by stopped-flow CO2 hyd...


Bioorg Med Chem 25: 857-863 (2017)


Article DOI: 10.1016/j.bmc.2016.11.045
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50207842
PNG
(CHEMBL3939285)
Show SMILES COc1cc(CSc2ccc(s2)S(N)(=O)=O)cc(OC)c1
PDB
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7.5n/an/an/an/an/an/an/an/a



Riga Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane tumor associated carbonic anhydrase 9 preincubated for 10 mins prior to testing by stopped-flow CO2 hyd...


Bioorg Med Chem 25: 857-863 (2017)


Article DOI: 10.1016/j.bmc.2016.11.045
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50207844
PNG
(CHEMBL3912159)
Show SMILES NS(=O)(=O)c1ccc(SCc2ccccc2)s1
PDB
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7.80n/an/an/an/an/an/an/an/a



Riga Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane tumor associated carbonic anhydrase 12 preincubated for 10 mins prior to testing by stopped-flow CO2 hy...


Bioorg Med Chem 25: 857-863 (2017)


Article DOI: 10.1016/j.bmc.2016.11.045
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50207845
PNG
(CHEMBL3968822)
Show SMILES NS(=O)(=O)c1ccc(SCc2ccccc2-c2ccccc2)s1
PDB
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8.20n/an/an/an/an/an/an/an/a



Riga Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane tumor associated carbonic anhydrase 12 preincubated for 10 mins prior to testing by stopped-flow CO2 hy...


Bioorg Med Chem 25: 857-863 (2017)


Article DOI: 10.1016/j.bmc.2016.11.045
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50207815
PNG
(CHEMBL3977311)
Show SMILES NS(=O)(=O)c1ccc(SCc2ccc3ccccc3c2)s1
PDB
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8.30n/an/an/an/an/an/an/an/a



Riga Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane tumor associated carbonic anhydrase 9 preincubated for 10 mins prior to testing by stopped-flow CO2 hyd...


Bioorg Med Chem 25: 857-863 (2017)


Article DOI: 10.1016/j.bmc.2016.11.045
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50207738
PNG
(CHEMBL3922422)
Show SMILES Cc1ccc(CSc2ccc(s2)S(N)(=O)=O)cc1
PDB
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8.40n/an/an/an/an/an/an/an/a



Riga Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane tumor associated carbonic anhydrase 12 preincubated for 10 mins prior to testing by stopped-flow CO2 hy...


Bioorg Med Chem 25: 857-863 (2017)


Article DOI: 10.1016/j.bmc.2016.11.045
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50207738
PNG
(CHEMBL3922422)
Show SMILES Cc1ccc(CSc2ccc(s2)S(N)(=O)=O)cc1
PDB
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9.30n/an/an/an/an/an/an/an/a



Riga Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic carbonic anhydrase 2 preincubated for 10 mins prior to testing by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 857-863 (2017)


Article DOI: 10.1016/j.bmc.2016.11.045
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50207738
PNG
(CHEMBL3922422)
Show SMILES Cc1ccc(CSc2ccc(s2)S(N)(=O)=O)cc1
PDB
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11n/an/an/an/an/an/an/an/a



Riga Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane tumor associated carbonic anhydrase 9 preincubated for 10 mins prior to testing by stopped-flow CO2 hyd...


Bioorg Med Chem 25: 857-863 (2017)


Article DOI: 10.1016/j.bmc.2016.11.045
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50207845
PNG
(CHEMBL3968822)
Show SMILES NS(=O)(=O)c1ccc(SCc2ccccc2-c2ccccc2)s1
PDB
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11n/an/an/an/an/an/an/an/a



Riga Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane tumor associated carbonic anhydrase 9 preincubated for 10 mins prior to testing by stopped-flow CO2 hyd...


Bioorg Med Chem 25: 857-863 (2017)


Article DOI: 10.1016/j.bmc.2016.11.045
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50207737
PNG
(CHEMBL3928543)
Show SMILES NS(=O)(=O)c1ccc(SCc2ccc(F)cc2)s1
PDB
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11n/an/an/an/an/an/an/an/a



Riga Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane tumor associated carbonic anhydrase 9 preincubated for 10 mins prior to testing by stopped-flow CO2 hyd...


Bioorg Med Chem 25: 857-863 (2017)


Article DOI: 10.1016/j.bmc.2016.11.045
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
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12n/an/an/an/an/an/an/an/a



Riga Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic carbonic anhydrase 2 preincubated for 10 mins prior to testing by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 857-863 (2017)


Article DOI: 10.1016/j.bmc.2016.11.045
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50207819
PNG
(CHEMBL3894409)
Show SMILES NS(=O)(=O)c1ccc(SCc2ccc(cc2)C#N)s1
PDB
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13n/an/an/an/an/an/an/an/a



Riga Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane tumor associated carbonic anhydrase 12 preincubated for 10 mins prior to testing by stopped-flow CO2 hy...


Bioorg Med Chem 25: 857-863 (2017)


Article DOI: 10.1016/j.bmc.2016.11.045
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50207842
PNG
(CHEMBL3939285)
Show SMILES COc1cc(CSc2ccc(s2)S(N)(=O)=O)cc(OC)c1
PDB
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13n/an/an/an/an/an/an/an/a



Riga Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane tumor associated carbonic anhydrase 12 preincubated for 10 mins prior to testing by stopped-flow CO2 hy...


Bioorg Med Chem 25: 857-863 (2017)


Article DOI: 10.1016/j.bmc.2016.11.045
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50207843
PNG
(CHEMBL3956141)
Show SMILES COc1ccc(CSc2ccc(s2)S(N)(=O)=O)cc1
PDB
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13n/an/an/an/an/an/an/an/a



Riga Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane tumor associated carbonic anhydrase 12 preincubated for 10 mins prior to testing by stopped-flow CO2 hy...


Bioorg Med Chem 25: 857-863 (2017)


Article DOI: 10.1016/j.bmc.2016.11.045
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50207737
PNG
(CHEMBL3928543)
Show SMILES NS(=O)(=O)c1ccc(SCc2ccc(F)cc2)s1
PDB
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17n/an/an/an/an/an/an/an/a



Riga Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane tumor associated carbonic anhydrase 12 preincubated for 10 mins prior to testing by stopped-flow CO2 hy...


Bioorg Med Chem 25: 857-863 (2017)


Article DOI: 10.1016/j.bmc.2016.11.045
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50207819
PNG
(CHEMBL3894409)
Show SMILES NS(=O)(=O)c1ccc(SCc2ccc(cc2)C#N)s1
PDB
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20n/an/an/an/an/an/an/an/a



Riga Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic carbonic anhydrase 2 preincubated for 10 mins prior to testing by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 857-863 (2017)


Article DOI: 10.1016/j.bmc.2016.11.045
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50207815
PNG
(CHEMBL3977311)
Show SMILES NS(=O)(=O)c1ccc(SCc2ccc3ccccc3c2)s1
PDB
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24n/an/an/an/an/an/an/an/a



Riga Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic carbonic anhydrase 2 preincubated for 10 mins prior to testing by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 857-863 (2017)


Article DOI: 10.1016/j.bmc.2016.11.045
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50207809
PNG
(CHEMBL3948061)
Show SMILES NS(=O)(=O)c1ccc(SCc2cccc(c2)-c2ccccc2)s1
PDB
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25n/an/an/an/an/an/an/an/a



Riga Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane tumor associated carbonic anhydrase 9 preincubated for 10 mins prior to testing by stopped-flow CO2 hyd...


Bioorg Med Chem 25: 857-863 (2017)


Article DOI: 10.1016/j.bmc.2016.11.045
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
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25n/an/an/an/an/an/an/an/a



Riga Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane tumor associated carbonic anhydrase 9 preincubated for 10 mins prior to testing by stopped-flow CO2 hyd...


Bioorg Med Chem 25: 857-863 (2017)


Article DOI: 10.1016/j.bmc.2016.11.045
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50207842
PNG
(CHEMBL3939285)
Show SMILES COc1cc(CSc2ccc(s2)S(N)(=O)=O)cc(OC)c1
PDB
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32n/an/an/an/an/an/an/an/a



Riga Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic carbonic anhydrase 2 preincubated for 10 mins prior to testing by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 857-863 (2017)


Article DOI: 10.1016/j.bmc.2016.11.045
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50207819
PNG
(CHEMBL3894409)
Show SMILES NS(=O)(=O)c1ccc(SCc2ccc(cc2)C#N)s1
PDB
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40n/an/an/an/an/an/an/an/a



Riga Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane tumor associated carbonic anhydrase 9 preincubated for 10 mins prior to testing by stopped-flow CO2 hyd...


Bioorg Med Chem 25: 857-863 (2017)


Article DOI: 10.1016/j.bmc.2016.11.045
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50207809
PNG
(CHEMBL3948061)
Show SMILES NS(=O)(=O)c1ccc(SCc2cccc(c2)-c2ccccc2)s1
PDB
MMDB

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80n/an/an/an/an/an/an/an/a



Riga Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane tumor associated carbonic anhydrase 12 preincubated for 10 mins prior to testing by stopped-flow CO2 hy...


Bioorg Med Chem 25: 857-863 (2017)


Article DOI: 10.1016/j.bmc.2016.11.045
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50207844
PNG
(CHEMBL3912159)
Show SMILES NS(=O)(=O)c1ccc(SCc2ccccc2)s1
PDB
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101n/an/an/an/an/an/an/an/a



Riga Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic carbonic anhydrase 2 preincubated for 10 mins prior to testing by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 857-863 (2017)


Article DOI: 10.1016/j.bmc.2016.11.045
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
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250n/an/an/an/an/an/an/an/a



Riga Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic carbonic anhydrase 1 preincubated for 10 mins prior to testing by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 857-863 (2017)


Article DOI: 10.1016/j.bmc.2016.11.045
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50207845
PNG
(CHEMBL3968822)
Show SMILES NS(=O)(=O)c1ccc(SCc2ccccc2-c2ccccc2)s1
PDB
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280n/an/an/an/an/an/an/an/a



Riga Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic carbonic anhydrase 2 preincubated for 10 mins prior to testing by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 857-863 (2017)


Article DOI: 10.1016/j.bmc.2016.11.045
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50207809
PNG
(CHEMBL3948061)
Show SMILES NS(=O)(=O)c1ccc(SCc2cccc(c2)-c2ccccc2)s1
PDB
MMDB

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316n/an/an/an/an/an/an/an/a



Riga Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic carbonic anhydrase 2 preincubated for 10 mins prior to testing by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 857-863 (2017)


Article DOI: 10.1016/j.bmc.2016.11.045
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50207844
PNG
(CHEMBL3912159)
Show SMILES NS(=O)(=O)c1ccc(SCc2ccccc2)s1
PDB
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683n/an/an/an/an/an/an/an/a



Riga Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic carbonic anhydrase 1 preincubated for 10 mins prior to testing by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 857-863 (2017)


Article DOI: 10.1016/j.bmc.2016.11.045
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50207738
PNG
(CHEMBL3922422)
Show SMILES Cc1ccc(CSc2ccc(s2)S(N)(=O)=O)cc1
PDB
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716n/an/an/an/an/an/an/an/a



Riga Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic carbonic anhydrase 1 preincubated for 10 mins prior to testing by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 857-863 (2017)


Article DOI: 10.1016/j.bmc.2016.11.045
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50207737
PNG
(CHEMBL3928543)
Show SMILES NS(=O)(=O)c1ccc(SCc2ccc(F)cc2)s1
PDB
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737n/an/an/an/an/an/an/an/a



Riga Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic carbonic anhydrase 1 preincubated for 10 mins prior to testing by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 857-863 (2017)


Article DOI: 10.1016/j.bmc.2016.11.045
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50207736
PNG
(CHEMBL3947437)
Show SMILES NS(=O)(=O)c1ccc(SCc2ccc(Cl)cc2)s1
PDB
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826n/an/an/an/an/an/an/an/a



Riga Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic carbonic anhydrase 1 preincubated for 10 mins prior to testing by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 857-863 (2017)


Article DOI: 10.1016/j.bmc.2016.11.045
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50207815
PNG
(CHEMBL3977311)
Show SMILES NS(=O)(=O)c1ccc(SCc2ccc3ccccc3c2)s1
PDB
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965n/an/an/an/an/an/an/an/a



Riga Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic carbonic anhydrase 1 preincubated for 10 mins prior to testing by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 857-863 (2017)


Article DOI: 10.1016/j.bmc.2016.11.045
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50207843
PNG
(CHEMBL3956141)
Show SMILES COc1ccc(CSc2ccc(s2)S(N)(=O)=O)cc1
PDB
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982n/an/an/an/an/an/an/an/a



Riga Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic carbonic anhydrase 1 preincubated for 10 mins prior to testing by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 857-863 (2017)


Article DOI: 10.1016/j.bmc.2016.11.045
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50207820
PNG
(CHEMBL3985384)
Show SMILES NS(=O)(=O)c1ccc(SCc2ccc(OC(F)(F)F)cc2)s1
PDB
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983n/an/an/an/an/an/an/an/a



Riga Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic carbonic anhydrase 1 preincubated for 10 mins prior to testing by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 857-863 (2017)


Article DOI: 10.1016/j.bmc.2016.11.045
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50207842
PNG
(CHEMBL3939285)
Show SMILES COc1cc(CSc2ccc(s2)S(N)(=O)=O)cc(OC)c1
PDB
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1.28E+3n/an/an/an/an/an/an/an/a



Riga Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic carbonic anhydrase 1 preincubated for 10 mins prior to testing by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 857-863 (2017)


Article DOI: 10.1016/j.bmc.2016.11.045
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50207809
PNG
(CHEMBL3948061)
Show SMILES NS(=O)(=O)c1ccc(SCc2cccc(c2)-c2ccccc2)s1
PDB
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1.87E+3n/an/an/an/an/an/an/an/a



Riga Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic carbonic anhydrase 1 preincubated for 10 mins prior to testing by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 857-863 (2017)


Article DOI: 10.1016/j.bmc.2016.11.045
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50207819
PNG
(CHEMBL3894409)
Show SMILES NS(=O)(=O)c1ccc(SCc2ccc(cc2)C#N)s1
PDB
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2.47E+3n/an/an/an/an/an/an/an/a



Riga Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic carbonic anhydrase 1 preincubated for 10 mins prior to testing by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 857-863 (2017)


Article DOI: 10.1016/j.bmc.2016.11.045
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50207845
PNG
(CHEMBL3968822)
Show SMILES NS(=O)(=O)c1ccc(SCc2ccccc2-c2ccccc2)s1
PDB
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3.60E+3n/an/an/an/an/an/an/an/a



Riga Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic carbonic anhydrase 1 preincubated for 10 mins prior to testing by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 857-863 (2017)


Article DOI: 10.1016/j.bmc.2016.11.045
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50207818
PNG
(CHEMBL3956725)
Show SMILES NS(=O)(=O)c1ccc(SCc2ccc(cc2)C(F)(F)F)s1
PDB
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4.25E+3n/an/an/an/an/an/an/an/a



Riga Technical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic carbonic anhydrase 1 preincubated for 10 mins prior to testing by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 857-863 (2017)


Article DOI: 10.1016/j.bmc.2016.11.045
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%