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PubMed code 24856184

Compile data set for download or QSAR
Found 24 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 2


(Homo sapiens (Human))
BDBM50019398
PNG
(CHEMBL3290059)
Show SMILES O=c1cc(ccc2ccccc12)C#N
Show InChI InChI=1S/C12H7NO/c13-8-9-5-6-10-3-1-2-4-11(10)12(14)7-9/h1-7H
PDB
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2.51E+3n/an/an/an/an/an/an/an/a



AgriIbrahim£e£en University

Curated by ChEMBL


Assay Description
Inhibition of human cytosolic CA-2 assessed as p-nitrophenolate formation after 3 mins using p-nitrophenylacetate as substrate by spectrophotometer


Bioorg Med Chem 22: 3537-43 (2014)


Article DOI: 10.1016/j.bmc.2014.04.007
BindingDB Entry DOI: 10.7270/Q2Z60QM4
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50019395
PNG
(CHEMBL3290057)
Show SMILES O=c1c(cccc2ccccc12)C#N
Show InChI InChI=1S/C12H7NO/c13-8-10-6-3-5-9-4-1-2-7-11(9)12(10)14/h1-7H
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2.68E+3n/an/an/an/an/an/an/an/a



AgriIbrahim£e£en University

Curated by ChEMBL


Assay Description
Inhibition of human cytosolic CA-2 assessed as p-nitrophenolate formation after 3 mins using p-nitrophenylacetate as substrate by spectrophotometer


Bioorg Med Chem 22: 3537-43 (2014)


Article DOI: 10.1016/j.bmc.2014.04.007
BindingDB Entry DOI: 10.7270/Q2Z60QM4
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50019400
PNG
(CHEMBL3290055)
Show SMILES N#CC1=Cc2ccccc2CC=C1 |c:12,t:2|
Show InChI InChI=1S/C12H9N/c13-9-10-4-3-7-11-5-1-2-6-12(11)8-10/h1-6,8H,7H2
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2.88E+3n/an/an/an/an/an/an/an/a



AgriIbrahim£e£en University

Curated by ChEMBL


Assay Description
Inhibition of human cytosolic CA-1 assessed as p-nitrophenolate formation after 3 mins using p-nitrophenylacetate as substrate by spectrophotometer


Bioorg Med Chem 22: 3537-43 (2014)


Article DOI: 10.1016/j.bmc.2014.04.007
BindingDB Entry DOI: 10.7270/Q2Z60QM4
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50019400
PNG
(CHEMBL3290055)
Show SMILES N#CC1=Cc2ccccc2CC=C1 |c:12,t:2|
Show InChI InChI=1S/C12H9N/c13-9-10-4-3-7-11-5-1-2-6-12(11)8-10/h1-6,8H,7H2
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3.06E+3n/an/an/an/an/an/an/an/a



AgriIbrahim£e£en University

Curated by ChEMBL


Assay Description
Inhibition of human cytosolic CA-2 assessed as p-nitrophenolate formation after 3 mins using p-nitrophenylacetate as substrate by spectrophotometer


Bioorg Med Chem 22: 3537-43 (2014)


Article DOI: 10.1016/j.bmc.2014.04.007
BindingDB Entry DOI: 10.7270/Q2Z60QM4
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50019399
PNG
(CHEMBL3290054)
Show SMILES N#CC1=CCc2ccccc2C=C1 |c:12,t:2|
Show InChI InChI=1S/C12H9N/c13-9-10-5-7-11-3-1-2-4-12(11)8-6-10/h1-7H,8H2
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3.23E+3n/an/an/an/an/an/an/an/a



AgriIbrahim£e£en University

Curated by ChEMBL


Assay Description
Inhibition of human cytosolic CA-2 assessed as p-nitrophenolate formation after 3 mins using p-nitrophenylacetate as substrate by spectrophotometer


Bioorg Med Chem 22: 3537-43 (2014)


Article DOI: 10.1016/j.bmc.2014.04.007
BindingDB Entry DOI: 10.7270/Q2Z60QM4
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50019397
PNG
(CHEMBL3290058)
Show SMILES O=c1ccc2ccccc2cc1C#N
Show InChI InChI=1S/C12H7NO/c13-8-11-7-10-4-2-1-3-9(10)5-6-12(11)14/h1-7H
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3.31E+3n/an/an/an/an/an/an/an/a



AgriIbrahim£e£en University

Curated by ChEMBL


Assay Description
Inhibition of human cytosolic CA-2 assessed as p-nitrophenolate formation after 3 mins using p-nitrophenylacetate as substrate by spectrophotometer


Bioorg Med Chem 22: 3537-43 (2014)


Article DOI: 10.1016/j.bmc.2014.04.007
BindingDB Entry DOI: 10.7270/Q2Z60QM4
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50019398
PNG
(CHEMBL3290059)
Show SMILES O=c1cc(ccc2ccccc12)C#N
Show InChI InChI=1S/C12H7NO/c13-8-9-5-6-10-3-1-2-4-11(10)12(14)7-9/h1-7H
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3.62E+3n/an/an/an/an/an/an/an/a



AgriIbrahim£e£en University

Curated by ChEMBL


Assay Description
Inhibition of human cytosolic CA-1 assessed as p-nitrophenolate formation after 3 mins using p-nitrophenylacetate as substrate by spectrophotometer


Bioorg Med Chem 22: 3537-43 (2014)


Article DOI: 10.1016/j.bmc.2014.04.007
BindingDB Entry DOI: 10.7270/Q2Z60QM4
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50019397
PNG
(CHEMBL3290058)
Show SMILES O=c1ccc2ccccc2cc1C#N
Show InChI InChI=1S/C12H7NO/c13-8-11-7-10-4-2-1-3-9(10)5-6-12(11)14/h1-7H
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3.66E+3n/an/an/an/an/an/an/an/a



AgriIbrahim£e£en University

Curated by ChEMBL


Assay Description
Inhibition of human cytosolic CA-1 assessed as p-nitrophenolate formation after 3 mins using p-nitrophenylacetate as substrate by spectrophotometer


Bioorg Med Chem 22: 3537-43 (2014)


Article DOI: 10.1016/j.bmc.2014.04.007
BindingDB Entry DOI: 10.7270/Q2Z60QM4
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50019394
PNG
(CHEMBL3290056)
Show SMILES O=c1ccc(cc2ccccc12)C#N
Show InChI InChI=1S/C12H7NO/c13-8-9-5-6-12(14)11-4-2-1-3-10(11)7-9/h1-7H
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3.91E+3n/an/an/an/an/an/an/an/a



AgriIbrahim£e£en University

Curated by ChEMBL


Assay Description
Inhibition of human cytosolic CA-2 assessed as p-nitrophenolate formation after 3 mins using p-nitrophenylacetate as substrate by spectrophotometer


Bioorg Med Chem 22: 3537-43 (2014)


Article DOI: 10.1016/j.bmc.2014.04.007
BindingDB Entry DOI: 10.7270/Q2Z60QM4
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50019394
PNG
(CHEMBL3290056)
Show SMILES O=c1ccc(cc2ccccc12)C#N
Show InChI InChI=1S/C12H7NO/c13-8-9-5-6-12(14)11-4-2-1-3-10(11)7-9/h1-7H
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3.93E+3n/an/an/an/an/an/an/an/a



AgriIbrahim£e£en University

Curated by ChEMBL


Assay Description
Inhibition of human cytosolic CA-1 assessed as p-nitrophenolate formation after 3 mins using p-nitrophenylacetate as substrate by spectrophotometer


Bioorg Med Chem 22: 3537-43 (2014)


Article DOI: 10.1016/j.bmc.2014.04.007
BindingDB Entry DOI: 10.7270/Q2Z60QM4
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50019395
PNG
(CHEMBL3290057)
Show SMILES O=c1c(cccc2ccccc12)C#N
Show InChI InChI=1S/C12H7NO/c13-8-10-6-3-5-9-4-1-2-7-11(9)12(10)14/h1-7H
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4.01E+3n/an/an/an/an/an/an/an/a



AgriIbrahim£e£en University

Curated by ChEMBL


Assay Description
Inhibition of human cytosolic CA-1 assessed as p-nitrophenolate formation after 3 mins using p-nitrophenylacetate as substrate by spectrophotometer


Bioorg Med Chem 22: 3537-43 (2014)


Article DOI: 10.1016/j.bmc.2014.04.007
BindingDB Entry DOI: 10.7270/Q2Z60QM4
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50019399
PNG
(CHEMBL3290054)
Show SMILES N#CC1=CCc2ccccc2C=C1 |c:12,t:2|
Show InChI InChI=1S/C12H9N/c13-9-10-5-7-11-3-1-2-4-12(11)8-6-10/h1-7H,8H2
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4.06E+3n/an/an/an/an/an/an/an/a



AgriIbrahim£e£en University

Curated by ChEMBL


Assay Description
Inhibition of human cytosolic CA-1 assessed as p-nitrophenolate formation after 3 mins using p-nitrophenylacetate as substrate by spectrophotometer


Bioorg Med Chem 22: 3537-43 (2014)


Article DOI: 10.1016/j.bmc.2014.04.007
BindingDB Entry DOI: 10.7270/Q2Z60QM4
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50019397
PNG
(CHEMBL3290058)
Show SMILES O=c1ccc2ccccc2cc1C#N
Show InChI InChI=1S/C12H7NO/c13-8-11-7-10-4-2-1-3-9(10)5-6-12(11)14/h1-7H
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n/an/a 3.22E+3n/an/an/an/an/an/a



AgriIbrahim£e£en University

Curated by ChEMBL


Assay Description
Inhibition of human cytosolic CA-2 assessed as p-nitrophenolate formation after 3 mins using p-nitrophenylacetate as substrate by spectrophotometer


Bioorg Med Chem 22: 3537-43 (2014)


Article DOI: 10.1016/j.bmc.2014.04.007
BindingDB Entry DOI: 10.7270/Q2Z60QM4
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50019395
PNG
(CHEMBL3290057)
Show SMILES O=c1c(cccc2ccccc12)C#N
Show InChI InChI=1S/C12H7NO/c13-8-10-6-3-5-9-4-1-2-7-11(9)12(10)14/h1-7H
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n/an/a 3.64E+3n/an/an/an/an/an/a



AgriIbrahim£e£en University

Curated by ChEMBL


Assay Description
Inhibition of human cytosolic CA-2 assessed as p-nitrophenolate formation after 3 mins using p-nitrophenylacetate as substrate by spectrophotometer


Bioorg Med Chem 22: 3537-43 (2014)


Article DOI: 10.1016/j.bmc.2014.04.007
BindingDB Entry DOI: 10.7270/Q2Z60QM4
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50019398
PNG
(CHEMBL3290059)
Show SMILES O=c1cc(ccc2ccccc12)C#N
Show InChI InChI=1S/C12H7NO/c13-8-9-5-6-10-3-1-2-4-11(10)12(14)7-9/h1-7H
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n/an/a 3.74E+3n/an/an/an/an/an/a



AgriIbrahim£e£en University

Curated by ChEMBL


Assay Description
Inhibition of human cytosolic CA-2 assessed as p-nitrophenolate formation after 3 mins using p-nitrophenylacetate as substrate by spectrophotometer


Bioorg Med Chem 22: 3537-43 (2014)


Article DOI: 10.1016/j.bmc.2014.04.007
BindingDB Entry DOI: 10.7270/Q2Z60QM4
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50019394
PNG
(CHEMBL3290056)
Show SMILES O=c1ccc(cc2ccccc12)C#N
Show InChI InChI=1S/C12H7NO/c13-8-9-5-6-12(14)11-4-2-1-3-10(11)7-9/h1-7H
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n/an/a 3.82E+3n/an/an/an/an/an/a



AgriIbrahim£e£en University

Curated by ChEMBL


Assay Description
Inhibition of human cytosolic CA-2 assessed as p-nitrophenolate formation after 3 mins using p-nitrophenylacetate as substrate by spectrophotometer


Bioorg Med Chem 22: 3537-43 (2014)


Article DOI: 10.1016/j.bmc.2014.04.007
BindingDB Entry DOI: 10.7270/Q2Z60QM4
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50019400
PNG
(CHEMBL3290055)
Show SMILES N#CC1=Cc2ccccc2CC=C1 |c:12,t:2|
Show InChI InChI=1S/C12H9N/c13-9-10-4-3-7-11-5-1-2-6-12(11)8-10/h1-6,8H,7H2
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n/an/a 4.07E+3n/an/an/an/an/an/a



AgriIbrahim£e£en University

Curated by ChEMBL


Assay Description
Inhibition of human cytosolic CA-2 assessed as p-nitrophenolate formation after 3 mins using p-nitrophenylacetate as substrate by spectrophotometer


Bioorg Med Chem 22: 3537-43 (2014)


Article DOI: 10.1016/j.bmc.2014.04.007
BindingDB Entry DOI: 10.7270/Q2Z60QM4
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50019399
PNG
(CHEMBL3290054)
Show SMILES N#CC1=CCc2ccccc2C=C1 |c:12,t:2|
Show InChI InChI=1S/C12H9N/c13-9-10-5-7-11-3-1-2-4-12(11)8-6-10/h1-7H,8H2
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n/an/a 4.38E+3n/an/an/an/an/an/a



AgriIbrahim£e£en University

Curated by ChEMBL


Assay Description
Inhibition of human cytosolic CA-2 assessed as p-nitrophenolate formation after 3 mins using p-nitrophenylacetate as substrate by spectrophotometer


Bioorg Med Chem 22: 3537-43 (2014)


Article DOI: 10.1016/j.bmc.2014.04.007
BindingDB Entry DOI: 10.7270/Q2Z60QM4
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50019399
PNG
(CHEMBL3290054)
Show SMILES N#CC1=CCc2ccccc2C=C1 |c:12,t:2|
Show InChI InChI=1S/C12H9N/c13-9-10-5-7-11-3-1-2-4-12(11)8-6-10/h1-7H,8H2
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n/an/a 4.52E+3n/an/an/an/an/an/a



AgriIbrahim£e£en University

Curated by ChEMBL


Assay Description
Inhibition of human cytosolic CA-1 assessed as p-nitrophenolate formation after 3 mins using p-nitrophenylacetate as substrate by spectrophotometer


Bioorg Med Chem 22: 3537-43 (2014)


Article DOI: 10.1016/j.bmc.2014.04.007
BindingDB Entry DOI: 10.7270/Q2Z60QM4
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50019398
PNG
(CHEMBL3290059)
Show SMILES O=c1cc(ccc2ccccc12)C#N
Show InChI InChI=1S/C12H7NO/c13-8-9-5-6-10-3-1-2-4-11(10)12(14)7-9/h1-7H
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n/an/a 5.13E+3n/an/an/an/an/an/a



AgriIbrahim£e£en University

Curated by ChEMBL


Assay Description
Inhibition of human cytosolic CA-1 assessed as p-nitrophenolate formation after 3 mins using p-nitrophenylacetate as substrate by spectrophotometer


Bioorg Med Chem 22: 3537-43 (2014)


Article DOI: 10.1016/j.bmc.2014.04.007
BindingDB Entry DOI: 10.7270/Q2Z60QM4
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50019397
PNG
(CHEMBL3290058)
Show SMILES O=c1ccc2ccccc2cc1C#N
Show InChI InChI=1S/C12H7NO/c13-8-11-7-10-4-2-1-3-9(10)5-6-12(11)14/h1-7H
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n/an/a 5.25E+3n/an/an/an/an/an/a



AgriIbrahim£e£en University

Curated by ChEMBL


Assay Description
Inhibition of human cytosolic CA-1 assessed as p-nitrophenolate formation after 3 mins using p-nitrophenylacetate as substrate by spectrophotometer


Bioorg Med Chem 22: 3537-43 (2014)


Article DOI: 10.1016/j.bmc.2014.04.007
BindingDB Entry DOI: 10.7270/Q2Z60QM4
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50019400
PNG
(CHEMBL3290055)
Show SMILES N#CC1=Cc2ccccc2CC=C1 |c:12,t:2|
Show InChI InChI=1S/C12H9N/c13-9-10-4-3-7-11-5-1-2-6-12(11)8-10/h1-6,8H,7H2
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n/an/a 5.77E+3n/an/an/an/an/an/a



AgriIbrahim£e£en University

Curated by ChEMBL


Assay Description
Inhibition of human cytosolic CA-1 assessed as p-nitrophenolate formation after 3 mins using p-nitrophenylacetate as substrate by spectrophotometer


Bioorg Med Chem 22: 3537-43 (2014)


Article DOI: 10.1016/j.bmc.2014.04.007
BindingDB Entry DOI: 10.7270/Q2Z60QM4
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50019394
PNG
(CHEMBL3290056)
Show SMILES O=c1ccc(cc2ccccc12)C#N
Show InChI InChI=1S/C12H7NO/c13-8-9-5-6-12(14)11-4-2-1-3-10(11)7-9/h1-7H
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MMDB

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Article
PubMed
n/an/a 5.96E+3n/an/an/an/an/an/a



AgriIbrahim£e£en University

Curated by ChEMBL


Assay Description
Inhibition of human cytosolic CA-1 assessed as p-nitrophenolate formation after 3 mins using p-nitrophenylacetate as substrate by spectrophotometer


Bioorg Med Chem 22: 3537-43 (2014)


Article DOI: 10.1016/j.bmc.2014.04.007
BindingDB Entry DOI: 10.7270/Q2Z60QM4
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50019395
PNG
(CHEMBL3290057)
Show SMILES O=c1c(cccc2ccccc12)C#N
Show InChI InChI=1S/C12H7NO/c13-8-10-6-3-5-9-4-1-2-7-11(9)12(10)14/h1-7H
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.07E+3n/an/an/an/an/an/a



AgriIbrahim£e£en University

Curated by ChEMBL


Assay Description
Inhibition of human cytosolic CA-1 assessed as p-nitrophenolate formation after 3 mins using p-nitrophenylacetate as substrate by spectrophotometer


Bioorg Med Chem 22: 3537-43 (2014)


Article DOI: 10.1016/j.bmc.2014.04.007
BindingDB Entry DOI: 10.7270/Q2Z60QM4
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%