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Compile Data Set for Download or QSAR

Found 11 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 9' and Ligand = 'BDBM29278'   
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 9


(Homo sapiens (Human))
BDBM29278
PNG
(CHEMBL310671 | Garantose | SAC | Saccharimide | Sa...)
Show SMILES O=C1NS(=O)(=O)c2ccccc12
Show InChI InChI=1S/C7H5NO3S/c9-7-5-3-1-2-4-6(5)12(10,11)8-7/h1-4H,(H,8,9)
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Article
PubMed
100n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 expressed in Escherichia coli L21-GOLD (DE3) incubated for 10 mins prior to testing by stopped-f...


J Med Chem 61: 1176-1181 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01470
BindingDB Entry DOI: 10.7270/Q2MG7RXW
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM29278
PNG
(CHEMBL310671 | Garantose | SAC | Saccharimide | Sa...)
Show SMILES O=C1NS(=O)(=O)c2ccccc12
Show InChI InChI=1S/C7H5NO3S/c9-7-5-3-1-2-4-6(5)12(10,11)8-7/h1-4H,(H,8,9)
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Article
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100n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Binding affinity to carbonic anhydrase 9 (unknown origin) expressed in Escherichia coli BL21 (DE3)


ACS Med Chem Lett 9: 657-661 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00100
BindingDB Entry DOI: 10.7270/Q2JW8HFM
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM29278
PNG
(CHEMBL310671 | Garantose | SAC | Saccharimide | Sa...)
Show SMILES O=C1NS(=O)(=O)c2ccccc12
Show InChI InChI=1S/C7H5NO3S/c9-7-5-3-1-2-4-6(5)12(10,11)8-7/h1-4H,(H,8,9)
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103n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA9 by CO2 hydration stopped flow assay


Bioorg Med Chem Lett 18: 836-41 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.025
BindingDB Entry DOI: 10.7270/Q2JH3N16
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM29278
PNG
(CHEMBL310671 | Garantose | SAC | Saccharimide | Sa...)
Show SMILES O=C1NS(=O)(=O)c2ccccc12
Show InChI InChI=1S/C7H5NO3S/c9-7-5-3-1-2-4-6(5)12(10,11)8-7/h1-4H,(H,8,9)
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103n/an/an/an/an/an/an/an/a



Agri Ibrahim Cecen University

Curated by ChEMBL


Assay Description
Inhibition of human esterase activity of carbonic anhydrase 9 using 4-nitrophenylacetate as substrate after 3 mins by spectrophotometric analysis


Bioorg Med Chem 21: 1522-5 (2013)


Article DOI: 10.1016/j.bmc.2012.08.018
BindingDB Entry DOI: 10.7270/Q2NG4S0C
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM29278
PNG
(CHEMBL310671 | Garantose | SAC | Saccharimide | Sa...)
Show SMILES O=C1NS(=O)(=O)c2ccccc12
Show InChI InChI=1S/C7H5NO3S/c9-7-5-3-1-2-4-6(5)12(10,11)8-7/h1-4H,(H,8,9)
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103n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase-9 assessed as reduction in CO2 hydration preincubated for 10 mins measured for 5 to 10 secs by sto...


Bioorg Med Chem 25: 3583-3589 (2017)


Article DOI: 10.1016/j.bmc.2017.04.007
BindingDB Entry DOI: 10.7270/Q2G73GWZ
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM29278
PNG
(CHEMBL310671 | Garantose | SAC | Saccharimide | Sa...)
Show SMILES O=C1NS(=O)(=O)c2ccccc12
Show InChI InChI=1S/C7H5NO3S/c9-7-5-3-1-2-4-6(5)12(10,11)8-7/h1-4H,(H,8,9)
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Article
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103n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 catalytic site preincubated for 15 mins by stopped flow CO2 hydration assay


J Med Chem 59: 6547-52 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00616
BindingDB Entry DOI: 10.7270/Q2TQ6513
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM29278
PNG
(CHEMBL310671 | Garantose | SAC | Saccharimide | Sa...)
Show SMILES O=C1NS(=O)(=O)c2ccccc12
Show InChI InChI=1S/C7H5NO3S/c9-7-5-3-1-2-4-6(5)12(10,11)8-7/h1-4H,(H,8,9)
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Article
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103n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 expressed in Escherichia coli by stopped flow CO2 hydration assay


J Med Chem 57: 3522-31 (2014)


Article DOI: 10.1021/jm500255y
BindingDB Entry DOI: 10.7270/Q2NS0WF1
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM29278
PNG
(CHEMBL310671 | Garantose | SAC | Saccharimide | Sa...)
Show SMILES O=C1NS(=O)(=O)c2ccccc12
Show InChI InChI=1S/C7H5NO3S/c9-7-5-3-1-2-4-6(5)12(10,11)8-7/h1-4H,(H,8,9)
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Article
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103n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 catalytic site preincubated for 15 mins by stopped flow CO2 hydration assay


J Med Chem 59: 6547-52 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00616
BindingDB Entry DOI: 10.7270/Q2TQ6513
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM29278
PNG
(CHEMBL310671 | Garantose | SAC | Saccharimide | Sa...)
Show SMILES O=C1NS(=O)(=O)c2ccccc12
Show InChI InChI=1S/C7H5NO3S/c9-7-5-3-1-2-4-6(5)12(10,11)8-7/h1-4H,(H,8,9)
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Article
PubMed
103n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 incubated for 1 hr prior to testing measured for 10 to 100 secs by phenol red-based stopped-flow...


J Med Chem 63: 321-333 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01669
BindingDB Entry DOI: 10.7270/Q2TX3JR0
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM29278
PNG
(CHEMBL310671 | Garantose | SAC | Saccharimide | Sa...)
Show SMILES O=C1NS(=O)(=O)c2ccccc12
Show InChI InChI=1S/C7H5NO3S/c9-7-5-3-1-2-4-6(5)12(10,11)8-7/h1-4H,(H,8,9)
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Article
PubMed
103n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1095-105 (2016)


Article DOI: 10.1016/j.bmc.2016.01.038
BindingDB Entry DOI: 10.7270/Q27S7QNK
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM29278
PNG
(CHEMBL310671 | Garantose | SAC | Saccharimide | Sa...)
Show SMILES O=C1NS(=O)(=O)c2ccccc12
Show InChI InChI=1S/C7H5NO3S/c9-7-5-3-1-2-4-6(5)12(10,11)8-7/h1-4H,(H,8,9)
PDB
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CHEMBL
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Article
PubMed
103n/an/an/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 by stopped-flow CO2 hydrase assay


Bioorg Med Chem 22: 1821-31 (2014)


Article DOI: 10.1016/j.bmc.2014.01.056
BindingDB Entry DOI: 10.7270/Q2NC646X
More data for this
Ligand-Target Pair