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Compile Data Set for Download or QSAR

Found 16 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM26992'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM26992
PNG
(CHEMBL183495 | SO4(2-) | SODIUM SULFATE | sulfate ...)
Show SMILES [O-]S([O-])(=O)=O
Show InChI InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2
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8.90E+7n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory constant against carbonic anhydrase II


Bioorg Med Chem Lett 14: 4563-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.073
BindingDB Entry DOI: 10.7270/Q2H995ZD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM26992
PNG
(CHEMBL183495 | SO4(2-) | SODIUM SULFATE | sulfate ...)
Show SMILES [O-]S([O-])(=O)=O
Show InChI InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2
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1.83E+8n/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
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM26992
PNG
(CHEMBL183495 | SO4(2-) | SODIUM SULFATE | sulfate ...)
Show SMILES [O-]S([O-])(=O)=O
Show InChI InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2
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>2.00E+8n/an/an/an/an/an/an/an/a



Centre Scientifique de Monaco

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA2 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
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM26992
PNG
(CHEMBL183495 | SO4(2-) | SODIUM SULFATE | sulfate ...)
Show SMILES [O-]S([O-])(=O)=O
Show InChI InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2
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>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
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM26992
PNG
(CHEMBL183495 | SO4(2-) | SODIUM SULFATE | sulfate ...)
Show SMILES [O-]S([O-])(=O)=O
Show InChI InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2
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>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
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM26992
PNG
(CHEMBL183495 | SO4(2-) | SODIUM SULFATE | sulfate ...)
Show SMILES [O-]S([O-])(=O)=O
Show InChI InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2
PDB
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>2.00E+8n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory constant against carbonic anhydrase II


Bioorg Med Chem Lett 14: 4563-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.073
BindingDB Entry DOI: 10.7270/Q2H995ZD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM26992
PNG
(CHEMBL183495 | SO4(2-) | SODIUM SULFATE | sulfate ...)
Show SMILES [O-]S([O-])(=O)=O
Show InChI InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2
PDB
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>2.00E+8n/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 expressed in Escherichia coli


Bioorg Med Chem Lett 14: 5435-9 (2004)

Checked by Author
Article DOI: 10.1016/j.bmcl.2004.07.086
BindingDB Entry DOI: 10.7270/Q2SN09QF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM26992
PNG
(CHEMBL183495 | SO4(2-) | SODIUM SULFATE | sulfate ...)
Show SMILES [O-]S([O-])(=O)=O
Show InChI InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2
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>2.00E+8n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition constant of anion against human carbonic anhydrase isozyme hCA II


Bioorg Med Chem Lett 14: 5769-73 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.063
BindingDB Entry DOI: 10.7270/Q24X58JJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM26992
PNG
(CHEMBL183495 | SO4(2-) | SODIUM SULFATE | sulfate ...)
Show SMILES [O-]S([O-])(=O)=O
Show InChI InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2
PDB
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>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
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM26992
PNG
(CHEMBL183495 | SO4(2-) | SODIUM SULFATE | sulfate ...)
Show SMILES [O-]S([O-])(=O)=O
Show InChI InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2
PDB
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