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PDB code 4YGL

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 9 hits 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

  (257/258 > 99%)
(Homo sapiens (Human))
BDBM36131
PNG
(perchlorate | sodium perchlorate)
Show SMILES [O-][Cl](=O)(=O)=O
Show InChI InChI=1S/ClHO4/c2-1(3,4)5/h(H,2,3,4,5)/p-1
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Article
PubMed
1.26E+6n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human Carbonic anhydrase II


Bioorg Med Chem Lett 15: 567-71 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.056
BindingDB Entry DOI: 10.7270/Q22R3SDV
More data for this
Ligand-Target Pair
Carbonic anhydrase 2

  (257/258 > 99%)
(Homo sapiens (Human))
BDBM36131
PNG
(perchlorate | sodium perchlorate)
Show SMILES [O-][Cl](=O)(=O)=O
Show InChI InChI=1S/ClHO4/c2-1(3,4)5/h(H,2,3,4,5)/p-1
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Article
PubMed
>2.00E+8n/an/an/an/an/an/a8.3n/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 after 15 mins by stopped flow CO2 hydration assay at pH 8.3


Bioorg Med Chem Lett 21: 3591-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.105
BindingDB Entry DOI: 10.7270/Q2930TGN
More data for this
Ligand-Target Pair
Carbonic anhydrase 2

  (257/258 > 99%)
(Homo sapiens (Human))
BDBM36131
PNG
(perchlorate | sodium perchlorate)
Show SMILES [O-][Cl](=O)(=O)=O
Show InChI InChI=1S/ClHO4/c2-1(3,4)5/h(H,2,3,4,5)/p-1
PDB
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Article
PubMed
>2.00E+8n/an/an/an/an/an/a7.5n/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 after 15 mins by CO2 hydrase assay at pH 7.5


Bioorg Med Chem 19: 1847-51 (2011)


Article DOI: 10.1016/j.bmc.2011.02.015
BindingDB Entry DOI: 10.7270/Q2QN672R
More data for this
Ligand-Target Pair
Carbonic anhydrase 2

  (257/258 > 99%)
(Homo sapiens (Human))
BDBM36131
PNG
(perchlorate | sodium perchlorate)
Show SMILES [O-][Cl](=O)(=O)=O
Show InChI InChI=1S/ClHO4/c2-1(3,4)5/h(H,2,3,4,5)/p-1
PDB
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Article
PubMed
>2.00E+8n/an/an/an/an/an/an/an/a



Slovak Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 by stopped flow CO2 hydration assay


Bioorg Med Chem Lett 22: 1314-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.085
BindingDB Entry DOI: 10.7270/Q2W66M7M
More data for this
Ligand-Target Pair
Carbonic anhydrase 2

  (257/258 > 99%)
(Homo sapiens (Human))
BDBM36131
PNG
(perchlorate | sodium perchlorate)
Show SMILES [O-][Cl](=O)(=O)=O
Show InChI InChI=1S/ClHO4/c2-1(3,4)5/h(H,2,3,4,5)/p-1
PDB
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Article
PubMed
>2.00E+8n/an/an/an/an/an/an/an/a



Kochi Medical School

Curated by ChEMBL


Assay Description
Inhibition of human recombinant wild type CA2 by stopped-flow CO2 hydration method


Bioorg Med Chem Lett 23: 256-60 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.103
BindingDB Entry DOI: 10.7270/Q2ZC846G
More data for this
Ligand-Target Pair
Carbonic anhydrase 2

  (257/258 > 99%)
(Homo sapiens (Human))
BDBM36131
PNG
(perchlorate | sodium perchlorate)
Show SMILES [O-][Cl](=O)(=O)=O
Show InChI InChI=1S/ClHO4/c2-1(3,4)5/h(H,2,3,4,5)/p-1
PDB
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Article
PubMed
>2.00E+8n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human cytosolic carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem Lett 22: 7142-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.065
BindingDB Entry DOI: 10.7270/Q2930VB8
More data for this
Ligand-Target Pair
Carbonic anhydrase 2

  (257/258 > 99%)
(Homo sapiens (Human))
BDBM36131
PNG
(perchlorate | sodium perchlorate)
Show SMILES [O-][Cl](=O)(=O)=O
Show InChI InChI=1S/ClHO4/c2-1(3,4)5/h(H,2,3,4,5)/p-1
PDB
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Article
PubMed
>2.00E+8n/an/an/an/an/an/an/an/a



Istituto di Biostrutture e Bioimmagini

Curated by ChEMBL


Assay Description
Inhibition of human cytosolic carbonic anhydrase-2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem Lett 23: 1626-30 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.087
BindingDB Entry DOI: 10.7270/Q23X8806
More data for this
Ligand-Target Pair
Carbonic anhydrase 2

  (257/258 > 99%)
(Homo sapiens (Human))
BDBM36131
PNG
(perchlorate | sodium perchlorate)
Show SMILES [O-][Cl](=O)(=O)=O
Show InChI InChI=1S/ClHO4/c2-1(3,4)5/h(H,2,3,4,5)/p-1
PDB
MMDB

Reactome pathway
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Article
PubMed
>2.00E+8n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem Lett 23: 1636-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.084
BindingDB Entry DOI: 10.7270/Q2VD70TX
More data for this
Ligand-Target Pair
Carbonic anhydrase 2

  (257/258 > 99%)
(Homo sapiens (Human))
BDBM36131
PNG
(perchlorate | sodium perchlorate)
Show SMILES [O-][Cl](=O)(=O)=O
Show InChI InChI=1S/ClHO4/c2-1(3,4)5/h(H,2,3,4,5)/p-1
PDB
MMDB

Reactome pathway
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Article
PubMed
>2.00E+8>-3.92n/an/an/an/an/a7.520



Universit£ degli Studi di Firenze



Assay Description
Inhibition of Helicobacter pylori alpha carbonic anhydrase preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 24: 3413-7 (2016)


Article DOI: 10.1016/j.bmc.2016.05.029
BindingDB Entry DOI: 10.7270/Q2W9583B
More data for this
Ligand-Target Pair

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output