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Compile Data Set for Download or QSAR

Found 9 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50344898'   
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


(Homo sapiens (Human))
BDBM50344898
PNG
(CHEMBL1081267 | sodium perruthenate)
Show SMILES O=[Ru-](=O)(=O)=O
Show InChI InChI=1S/4O.Ru/q;;;-1;
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6.90E+5 -17.7n/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
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50344898
PNG
(CHEMBL1081267 | sodium perruthenate)
Show SMILES O=[Ru-](=O)(=O)=O
Show InChI InChI=1S/4O.Ru/q;;;-1;
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6.90E+5n/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 method


Bioorg Med Chem Lett 24: 4402-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.014
BindingDB Entry DOI: 10.7270/Q2348N4M
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50344898
PNG
(CHEMBL1081267 | sodium perruthenate)
Show SMILES O=[Ru-](=O)(=O)=O
Show InChI InChI=1S/4O.Ru/q;;;-1;
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6.90E+5n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa PAO1 type-2 beta-carbonic anhydrase psCA3 expressed in Escherichia coli Tuner BL21 (DE3) cells pre-incubated for...


Bioorg Med Chem 23: 4831-8 (2015)


Article DOI: 10.1016/j.bmc.2015.05.029
BindingDB Entry DOI: 10.7270/Q20V8FK8
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50344898
PNG
(CHEMBL1081267 | sodium perruthenate)
Show SMILES O=[Ru-](=O)(=O)=O
Show InChI InChI=1S/4O.Ru/q;;;-1;
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6.90E+5n/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


(Homo sapiens (Human))
BDBM50344898
PNG
(CHEMBL1081267 | sodium perruthenate)
Show SMILES O=[Ru-](=O)(=O)=O
Show InChI InChI=1S/4O.Ru/q;;;-1;
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6.90E+5n/an/an/an/an/an/an/an/a



Kochi Medical School

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 1127-32 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.124
BindingDB Entry DOI: 10.7270/Q2FX7DDZ
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50344898
PNG
(CHEMBL1081267 | sodium perruthenate)
Show SMILES O=[Ru-](=O)(=O)=O
Show InChI InChI=1S/4O.Ru/q;;;-1;
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6.90E+5n/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


(Homo sapiens (Human))
BDBM50344898
PNG
(CHEMBL1081267 | sodium perruthenate)
Show SMILES O=[Ru-](=O)(=O)=O
Show InChI InChI=1S/4O.Ru/q;;;-1;
PDB
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6.90E+5n/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


(Homo sapiens (Human))
BDBM50344898
PNG
(CHEMBL1081267 | sodium perruthenate)
Show SMILES O=[Ru-](=O)(=O)=O
Show InChI InChI=1S/4O.Ru/q;;;-1;
PDB
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6.90E+5n/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


(Homo sapiens (Human))
BDBM50344898
PNG
(CHEMBL1081267 | sodium perruthenate)
Show SMILES O=[Ru-](=O)(=O)=O
Show InChI InChI=1S/4O.Ru/q;;;-1;
PDB
MMDB

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6.90E+5n/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