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Compile Data Set for Download or QSAR

Found 24 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



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)
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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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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)
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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)


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/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+7n/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)
PDB
MMDB

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PubMed
4.57E+13n/an/an/an/an/an/an/an/a



A.P.S. University

Curated by ChEMBL




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

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

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

US Patent
n/an/a 295n/an/an/an/an/an/a



Naia Metabolic, Inc.

US Patent




US Patent US10172837 (2019)


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