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Compile Data Set for Download or QSAR

Found 25 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM10855'   
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 1


(Homo sapiens (Human))
BDBM10855
PNG
(2-aminobenzene-1-sulfonamide | CHEMBL6705 | US1017...)
Show SMILES Nc1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C6H8N2O2S/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)
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4.54E+4 -24.8n/an/an/an/an/a7.525



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 49: 2117-26 (2006)


Article DOI: 10.1021/jm0512600
BindingDB Entry DOI: 10.7270/Q2ZS2TQB
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM10855
PNG
(2-aminobenzene-1-sulfonamide | CHEMBL6705 | US1017...)
Show SMILES Nc1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C6H8N2O2S/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)
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4.54E+4n/an/an/an/an/an/an/an/a



A.P.S. University

Curated by ChEMBL


Assay Description
Inhibition of human CA1


Bioorg Med Chem Lett 16: 2044-51 (2006)


Article DOI: 10.1016/j.bmcl.2005.08.071
BindingDB Entry DOI: 10.7270/Q20Z761V
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM10855
PNG
(2-aminobenzene-1-sulfonamide | CHEMBL6705 | US1017...)
Show SMILES Nc1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C6H8N2O2S/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)
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4.54E+4n/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 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1534-8 (2013)


Article DOI: 10.1016/j.bmc.2012.07.024
BindingDB Entry DOI: 10.7270/Q2VQ3463
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM10855
PNG
(2-aminobenzene-1-sulfonamide | CHEMBL6705 | US1017...)
Show SMILES Nc1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C6H8N2O2S/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)
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4.54E+4n/an/an/an/an/an/an/an/a



Università degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase I (CA1)


J Med Chem 43: 292-300 (2000)


BindingDB Entry DOI: 10.7270/Q22806T7
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM10855
PNG
(2-aminobenzene-1-sulfonamide | CHEMBL6705 | US1017...)
Show SMILES Nc1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C6H8N2O2S/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)
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4.54E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem Lett 26: 401-5 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.104
BindingDB Entry DOI: 10.7270/Q2DB83QG
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM10855
PNG
(2-aminobenzene-1-sulfonamide | CHEMBL6705 | US1017...)
Show SMILES Nc1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C6H8N2O2S/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)
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4.54E+4n/an/an/an/an/an/an/an/a



Centre Scientifique de Monaco

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA1 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 1


(Homo sapiens (Human))
BDBM10855
PNG
(2-aminobenzene-1-sulfonamide | CHEMBL6705 | US1017...)
Show SMILES Nc1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C6H8N2O2S/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)
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4.54E+4n/an/an/an/an/an/a7.5n/a



Universit£ Montpellier II

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase I by spectrophotometry at pH 7.5


Bioorg Med Chem 19: 1172-8 (2011)


Article DOI: 10.1016/j.bmc.2010.12.048
BindingDB Entry DOI: 10.7270/Q2C53M44
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM10855
PNG
(2-aminobenzene-1-sulfonamide | CHEMBL6705 | US1017...)
Show SMILES Nc1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C6H8N2O2S/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)
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4.54E+4n/an/an/an/an/an/a7.5n/a



Kochi Medical School

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 at pH 7.5 by stopped flow CO2 hydration assay


Bioorg Med Chem 19: 5023-30 (2011)


Article DOI: 10.1016/j.bmc.2011.06.038
BindingDB Entry DOI: 10.7270/Q24T6JRW
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM10855
PNG
(2-aminobenzene-1-sulfonamide | CHEMBL6705 | US1017...)
Show SMILES Nc1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C6H8N2O2S/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)
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4.54E+4n/an/an/an/an/an/an/an/a



Slovak Academy of Sciences

Curated by ChEMBL


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


Bioorg Med Chem 20: 1403-10 (2012)


Article DOI: 10.1016/j.bmc.2012.01.007
BindingDB Entry DOI: 10.7270/Q2VH5P89
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM10855
PNG
(2-aminobenzene-1-sulfonamide | CHEMBL6705 | US1017...)
Show SMILES Nc1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C6H8N2O2S/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)
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4.54E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase I (CAI)


Bioorg Med Chem Lett 10: 1117-20 (2000)


BindingDB Entry DOI: 10.7270/Q2WW7J6M
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM10855
PNG
(2-aminobenzene-1-sulfonamide | CHEMBL6705 | US1017...)
Show SMILES Nc1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C6H8N2O2S/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)
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4.54E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human cloned carbonic anhydrase isozyme I by esterase assay method.


Bioorg Med Chem Lett 13: 1005-9 (2003)


BindingDB Entry DOI: 10.7270/Q2PV6KXV
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM10855
PNG
(2-aminobenzene-1-sulfonamide | CHEMBL6705 | US1017...)
Show SMILES Nc1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C6H8N2O2S/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)
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4.54E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibition of cloned isozyme, human carbonic anhydrase I


Bioorg Med Chem Lett 11: 575-82 (2001)


BindingDB Entry DOI: 10.7270/Q2KW5GJQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM10855
PNG
(2-aminobenzene-1-sulfonamide | CHEMBL6705 | US1017...)
Show SMILES Nc1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C6H8N2O2S/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)
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4.54E+4n/an/an/an/an/an/an/an/a



University of Tampere

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase I (hCA I) by using esterase assay method


Bioorg Med Chem Lett 14: 3757-62 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.106
BindingDB Entry DOI: 10.7270/Q24Q7VJ8
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM10855
PNG
(2-aminobenzene-1-sulfonamide | CHEMBL6705 | US1017...)
Show SMILES Nc1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C6H8N2O2S/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)
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4.54E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human cloned carbonic anhydrase isozyme I (hCA I, cytosolic form).


J Med Chem 42: 2641-50 (1999)


Article DOI: 10.1021/jm9900523
BindingDB Entry DOI: 10.7270/Q2J67HMK
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM10855
PNG
(2-aminobenzene-1-sulfonamide | CHEMBL6705 | US1017...)
Show SMILES Nc1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C6H8N2O2S/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)
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4.54E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human recombinant carbonic anhydrase I (CA1)


J Med Chem 42: 3690-700 (1999)


Article DOI: 10.1021/jm9901879
BindingDB Entry DOI: 10.7270/Q26Q1XXC
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM10855
PNG
(2-aminobenzene-1-sulfonamide | CHEMBL6705 | US1017...)
Show SMILES Nc1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C6H8N2O2S/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)
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4.54E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against Human carbonic anhydrase I


J Med Chem 45: 1466-76 (2002)


BindingDB Entry DOI: 10.7270/Q2N29XN9
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM10855
PNG
(2-aminobenzene-1-sulfonamide | CHEMBL6705 | US1017...)
Show SMILES Nc1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C6H8N2O2S/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)
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4.54E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Ki value against human carbonic anhydrase I (hCA I)


Bioorg Med Chem Lett 15: 963-9 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.053
BindingDB Entry DOI: 10.7270/Q29887RZ
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM10855
PNG
(2-aminobenzene-1-sulfonamide | CHEMBL6705 | US1017...)
Show SMILES Nc1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C6H8N2O2S/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)
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4.54E+4n/an/an/an/an/an/an/an/a



Kochi Medical School

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA1


Bioorg Med Chem Lett 16: 2182-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.044
BindingDB Entry DOI: 10.7270/Q2HM598P
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM10855
PNG
(2-aminobenzene-1-sulfonamide | CHEMBL6705 | US1017...)
Show SMILES Nc1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C6H8N2O2S/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)
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4.54E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Ki value against human carbonic anhydrase I


Bioorg Med Chem Lett 15: 971-6 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.052
BindingDB Entry DOI: 10.7270/Q25H7H1N
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM10855
PNG
(2-aminobenzene-1-sulfonamide | CHEMBL6705 | US1017...)
Show SMILES Nc1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C6H8N2O2S/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)
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4.54E+4n/an/an/an/an/an/an/an/a



Kochi Medical School

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic isozyme CA I by stopped-flow CO2 hydrase method


J Med Chem 50: 381-8 (2007)


Article DOI: 10.1021/jm0612057
BindingDB Entry DOI: 10.7270/Q29G5NNH
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM10855
PNG
(2-aminobenzene-1-sulfonamide | CHEMBL6705 | US1017...)
Show SMILES Nc1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C6H8N2O2S/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)
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4.54E+4n/an/an/an/an/an/an/an/a



A.P.S. University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase I (CAI)


Bioorg Med Chem Lett 13: 447-53 (2003)


BindingDB Entry DOI: 10.7270/Q2668GC9
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM10855
PNG
(2-aminobenzene-1-sulfonamide | CHEMBL6705 | US1017...)
Show SMILES Nc1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C6H8N2O2S/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)
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PubMed
4.54E+4n/an/an/an/an/an/an/an/a



MC-98000 Princ

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA1 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 1


(Homo sapiens (Human))
BDBM10855
PNG
(2-aminobenzene-1-sulfonamide | CHEMBL6705 | US1017...)
Show SMILES Nc1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C6H8N2O2S/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)
PDB
MMDB

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PubMed
4.54E+4n/an/an/an/an/an/an/an/a



Balikesir University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA1 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 1


(Homo sapiens (Human))
BDBM10855
PNG
(2-aminobenzene-1-sulfonamide | CHEMBL6705 | US1017...)
Show SMILES Nc1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C6H8N2O2S/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)
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PubMed
4.54E+4n/an/an/an/an/an/an/an/a



Universita 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...


J Med Chem 48: 2121-5 (2005)


Article DOI: 10.1021/jm0494826
BindingDB Entry DOI: 10.7270/Q25X275C
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM10855
PNG
(2-aminobenzene-1-sulfonamide | CHEMBL6705 | US1017...)
Show SMILES Nc1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C6H8N2O2S/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)
PDB
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US Patent
n/an/a 295n/an/an/an/an/an/a



Naia Metabolic, Inc.

US Patent


Assay Description
Compounds which are CAIs are well known in the art, see for example, Pastorekova et al, Journal of Enzyme Inhibition and Medicinal Chemistry, 19(3), ...


US Patent US10172837 (2019)


BindingDB Entry DOI: 10.7270/Q2VT1V5M
More data for this
Ligand-Target Pair