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Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase' and Ligand = 'BDBM29277'   
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


(Saccharomyces cerevisiae)
BDBM29277
PNG
(CHEMBL451332 | sulfonamide, 3)
Show SMILES NS(=O)(=O)c1ccc(CCC(O)=O)cc1
Show InChI InChI=1S/C9H11NO4S/c10-15(13,14)8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5H,3,6H2,(H,11,12)(H2,10,13,14)
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Article
PubMed
165n/an/an/an/an/an/an/an/a



Balikesir University

Curated by ChEMBL


Assay Description
Inhibition of Saccharomyces cerevisiae recombinant CA expressed in Escherichia coli by stopped-flow CO2 hydrase assay


Bioorg Med Chem 17: 1158-63 (2009)


Article DOI: 10.1016/j.bmc.2008.12.035
BindingDB Entry DOI: 10.7270/Q2FB53WW
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Stylophora pistillata)
BDBM29277
PNG
(CHEMBL451332 | sulfonamide, 3)
Show SMILES NS(=O)(=O)c1ccc(CCC(O)=O)cc1
Show InChI InChI=1S/C9H11NO4S/c10-15(13,14)8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5H,3,6H2,(H,11,12)(H2,10,13,14)
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256n/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


(Stylophora pistillata)
BDBM29277
PNG
(CHEMBL451332 | sulfonamide, 3)
Show SMILES NS(=O)(=O)c1ccc(CCC(O)=O)cc1
Show InChI InChI=1S/C9H11NO4S/c10-15(13,14)8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5H,3,6H2,(H,11,12)(H2,10,13,14)
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256n/an/an/an/an/an/an/an/a



MC-98000 Princ

Curated by ChEMBL


Assay Description
Inhibition of cloned Stylophora pistillata alpha-CA expressed in human HEK293 cells by stopped-flow CO2 assay


Bioorg Med Chem 17: 5054-8 (2009)


Article DOI: 10.1016/j.bmc.2009.05.063
BindingDB Entry DOI: 10.7270/Q2FJ2HQJ
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Stylophora pistillata)
BDBM29277
PNG
(CHEMBL451332 | sulfonamide, 3)
Show SMILES NS(=O)(=O)c1ccc(CCC(O)=O)cc1
Show InChI InChI=1S/C9H11NO4S/c10-15(13,14)8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5H,3,6H2,(H,11,12)(H2,10,13,14)
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294n/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


(Cryptococcus neoformans var. grubii (Filobasidiell...)
BDBM29277
PNG
(CHEMBL451332 | sulfonamide, 3)
Show SMILES NS(=O)(=O)c1ccc(CCC(O)=O)cc1
Show InChI InChI=1S/C9H11NO4S/c10-15(13,14)8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5H,3,6H2,(H,11,12)(H2,10,13,14)
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440n/an/an/an/an/an/an/an/a



Universite degli Studi di Firenze



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


Bioorg Med Chem 17: 4503-9 (2009)


Article DOI: 10.1016/j.bmc.2009.05.002
BindingDB Entry DOI: 10.7270/Q24X564B
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Candida albicans (Yeast))
BDBM29277
PNG
(CHEMBL451332 | sulfonamide, 3)
Show SMILES NS(=O)(=O)c1ccc(CCC(O)=O)cc1
Show InChI InChI=1S/C9H11NO4S/c10-15(13,14)8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5H,3,6H2,(H,11,12)(H2,10,13,14)
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1.28E+3 -33.1n/an/an/an/an/a8.320



Universite degli Studi di Firenze



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


Bioorg Med Chem 17: 4503-9 (2009)


Article DOI: 10.1016/j.bmc.2009.05.002
BindingDB Entry DOI: 10.7270/Q24X564B
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Mycobacterium tuberculosis)
BDBM29277
PNG
(CHEMBL451332 | sulfonamide, 3)
Show SMILES NS(=O)(=O)c1ccc(CCC(O)=O)cc1
Show InChI InChI=1S/C9H11NO4S/c10-15(13,14)8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5H,3,6H2,(H,11,12)(H2,10,13,14)
KEGG

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Article
PubMed
7.83E+3 -28.7n/an/an/an/an/a8.320



Kochi Medical School



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 52: 3116-20 (2009)


Article DOI: 10.1021/jm9003126
BindingDB Entry DOI: 10.7270/Q28G8J2G
More data for this
Ligand-Target Pair