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158 molecules are shown

Wt: 306.1
BDBM50381325
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Wt: 362.7
BDBM50366033
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Wt: 145.1
BDBM50366034
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Wt: 138.1
BDBM50366037
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Wt: 127.1
BDBM50366038
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Wt: 252.2
BDBM50378564
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Wt: 18.9
BDBM26978
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Wt: 121.1
BDBM36181
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<<  First   |  Previous   |  Displayed 151 to 158 (of 158 total )

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 209 hits for monomerid = 50381325,50366033,50366034,50366037,50366038,50378564,26978,36181   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Carbonic anhydrase 15


(Mus musculus)
BDBM50381325
PNG
(CHEMBL2019140)
Show SMILES Nc1oc2ccc(Cl)cc2c(=O)c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C15H9Cl2NO2/c16-9-3-1-8(2-4-9)13-14(19)11-7-10(17)5-6-12(11)20-15(13)18/h1-7H,18H2
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3.75E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 3063-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.071
BindingDB Entry DOI: 10.7270/Q2J1045T
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50381325
PNG
(CHEMBL2019140)
Show SMILES Nc1oc2ccc(Cl)cc2c(=O)c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C15H9Cl2NO2/c16-9-3-1-8(2-4-9)13-14(19)11-7-10(17)5-6-12(11)20-15(13)18/h1-7H,18H2
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3.91E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 4 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem Lett 22: 3063-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.071
BindingDB Entry DOI: 10.7270/Q2J1045T
More data for this
Ligand-Target Pair
Carbonic anhydrase 14


(Homo sapiens (Human))
BDBM50366033
PNG
(ASUNTOL)
Show SMILES CCOP(=S)(OCC)Oc1ccc2c(C)c(Cl)c(=O)oc2c1
Show InChI InChI=1S/C14H16ClO5PS/c1-4-17-21(22,18-5-2)20-10-6-7-11-9(3)13(15)14(16)19-12(11)8-10/h6-8H,4-5H2,1-3H3
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4.14E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 14 preincubated for 15 mins to 72 hrs measured after 6 hrs by stopped flow CO2 hydration method


Bioorg Med Chem Lett 22: 2182-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.129
BindingDB Entry DOI: 10.7270/Q2FJ2H78
More data for this
Ligand-Target Pair
Carbonic anhydrase 13


(Homo sapiens (Human))
BDBM50366038
PNG
(CHEMBL1356238)
Show SMILES [O-][n+]1ccccc1S
Show InChI InChI=1S/C5H5NOS/c7-6-4-2-1-3-5(6)8/h1-4,8H
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4.15E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 13 preincubated for 15 mins to 72 hrs measured after 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem Lett 22: 2182-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.129
BindingDB Entry DOI: 10.7270/Q2FJ2H78
More data for this
Ligand-Target Pair
Carbonic anhydrase 13


(Homo sapiens (Human))
BDBM50366038
PNG
(CHEMBL1356238)
Show SMILES [O-][n+]1ccccc1S
Show InChI InChI=1S/C5H5NOS/c7-6-4-2-1-3-5(6)8/h1-4,8H
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4.15E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 13 preincubated for 15 mins to 72 hrs measured after 6 hrs by stopped flow CO2 hydration method


Bioorg Med Chem Lett 22: 2182-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.129
BindingDB Entry DOI: 10.7270/Q2FJ2H78
More data for this
Ligand-Target Pair
Carbonic anhydrase 13


(Homo sapiens (Human))
BDBM50366033
PNG
(ASUNTOL)
Show SMILES CCOP(=S)(OCC)Oc1ccc2c(C)c(Cl)c(=O)oc2c1
Show InChI InChI=1S/C14H16ClO5PS/c1-4-17-21(22,18-5-2)20-10-6-7-11-9(3)13(15)14(16)19-12(11)8-10/h6-8H,4-5H2,1-3H3
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4.23E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 13 preincubated for 15 mins to 72 hrs measured after 6 hrs by stopped flow CO2 hydration method


Bioorg Med Chem Lett 22: 2182-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.129
BindingDB Entry DOI: 10.7270/Q2FJ2H78
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50378564
PNG
(CHEMBL145781)
Show SMILES O=c1ccc2ccc(OCc3ccccc3)cc2o1
Show InChI InChI=1S/C16H12O3/c17-16-9-7-13-6-8-14(10-15(13)19-16)18-11-12-4-2-1-3-5-12/h1-10H,11H2
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4.30E+3n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


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


J Med Chem 53: 335-44 (2010)


Article DOI: 10.1021/jm901287j
BindingDB Entry DOI: 10.7270/Q2MS3TP5
More data for this
Ligand-Target Pair
Carbonic anhydrase 14


(Homo sapiens (Human))
BDBM50366037
PNG
(CHEMBL1955873)
Show SMILES OC(=S)c1ccccc1
Show InChI InChI=1S/C7H6OS/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)
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4.55E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 14 preincubated for 15 mins to 72 hrs measured after 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem Lett 22: 2182-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.129
BindingDB Entry DOI: 10.7270/Q2FJ2H78
More data for this
Ligand-Target Pair
Carbonic anhydrase 14


(Homo sapiens (Human))
BDBM50366037
PNG
(CHEMBL1955873)
Show SMILES OC(=S)c1ccccc1
Show InChI InChI=1S/C7H6OS/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)
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4.55E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 14 preincubated for 15 mins to 72 hrs measured after 6 hrs by stopped flow CO2 hydration method


Bioorg Med Chem Lett 22: 2182-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.129
BindingDB Entry DOI: 10.7270/Q2FJ2H78
More data for this
Ligand-Target Pair
Carbonic anhydrase 15


(Mus musculus)
BDBM50378564
PNG
(CHEMBL145781)
Show SMILES O=c1ccc2ccc(OCc3ccccc3)cc2o1
Show InChI InChI=1S/C16H12O3/c17-16-9-7-13-6-8-14(10-15(13)19-16)18-11-12-4-2-1-3-5-12/h1-10H,11H2
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4.60E+3n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of mouse carbonic anhydrase 15 by stopped flow CO2 hydration assay


J Med Chem 53: 335-44 (2010)


Article DOI: 10.1021/jm901287j
BindingDB Entry DOI: 10.7270/Q2MS3TP5
More data for this
Ligand-Target Pair
Carbonic anhydrase 3


(Homo sapiens (Human))
BDBM50366033
PNG
(ASUNTOL)
Show SMILES CCOP(=S)(OCC)Oc1ccc2c(C)c(Cl)c(=O)oc2c1
Show InChI InChI=1S/C14H16ClO5PS/c1-4-17-21(22,18-5-2)20-10-6-7-11-9(3)13(15)14(16)19-12(11)8-10/h6-8H,4-5H2,1-3H3
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4.62E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 3 preincubated for 15 mins to 72 hrs measured after 6 hrs by stopped flow CO2 hydration method


Bioorg Med Chem Lett 22: 2182-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.129
BindingDB Entry DOI: 10.7270/Q2FJ2H78
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50366033
PNG
(ASUNTOL)
Show SMILES CCOP(=S)(OCC)Oc1ccc2c(C)c(Cl)c(=O)oc2c1
Show InChI InChI=1S/C14H16ClO5PS/c1-4-17-21(22,18-5-2)20-10-6-7-11-9(3)13(15)14(16)19-12(11)8-10/h6-8H,4-5H2,1-3H3
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4.68E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 7 preincubated for 15 mins to 72 hrs measured after 6 hrs by stopped flow CO2 hydration method


Bioorg Med Chem Lett 22: 2182-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.129
BindingDB Entry DOI: 10.7270/Q2FJ2H78
More data for this
Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial


(Homo sapiens (Human))
BDBM50366033
PNG
(ASUNTOL)
Show SMILES CCOP(=S)(OCC)Oc1ccc2c(C)c(Cl)c(=O)oc2c1
Show InChI InChI=1S/C14H16ClO5PS/c1-4-17-21(22,18-5-2)20-10-6-7-11-9(3)13(15)14(16)19-12(11)8-10/h6-8H,4-5H2,1-3H3
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5.09E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 5A preincubated for 15 mins to 72 hrs measured after 6 hrs by stopped flow CO2 hydration method


Bioorg Med Chem Lett 22: 2182-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.129
BindingDB Entry DOI: 10.7270/Q2FJ2H78
More data for this
Ligand-Target Pair
Carbonic anhydrase 6


(Homo sapiens (Human))
BDBM50366037
PNG
(CHEMBL1955873)
Show SMILES OC(=S)c1ccccc1
Show InChI InChI=1S/C7H6OS/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)
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5.10E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 6 preincubated for 15 mins to 72 hrs measured after 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem Lett 22: 2182-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.129
BindingDB Entry DOI: 10.7270/Q2FJ2H78
More data for this
Ligand-Target Pair
Carbonic anhydrase 6


(Homo sapiens (Human))
BDBM50366037
PNG
(CHEMBL1955873)
Show SMILES OC(=S)c1ccccc1
Show InChI InChI=1S/C7H6OS/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)
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5.10E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 6 preincubated for 15 mins to 72 hrs measured after 6 hrs by stopped flow CO2 hydration method


Bioorg Med Chem Lett 22: 2182-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.129
BindingDB Entry DOI: 10.7270/Q2FJ2H78
More data for this
Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial


(Homo sapiens (Human))
BDBM50366038
PNG
(CHEMBL1356238)
Show SMILES [O-][n+]1ccccc1S
Show InChI InChI=1S/C5H5NOS/c7-6-4-2-1-3-5(6)8/h1-4,8H
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5.12E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 5A preincubated for 15 mins to 72 hrs measured after 6 hrs by stopped flow CO2 hydration method


Bioorg Med Chem Lett 22: 2182-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.129
BindingDB Entry DOI: 10.7270/Q2FJ2H78
More data for this
Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial


(Homo sapiens (Human))
BDBM50366038
PNG
(CHEMBL1356238)
Show SMILES [O-][n+]1ccccc1S
Show InChI InChI=1S/C5H5NOS/c7-6-4-2-1-3-5(6)8/h1-4,8H
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5.12E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 5A preincubated for 15 mins to 72 hrs measured after 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem Lett 22: 2182-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.129
BindingDB Entry DOI: 10.7270/Q2FJ2H78
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50366038
PNG
(CHEMBL1356238)
Show SMILES [O-][n+]1ccccc1S
Show InChI InChI=1S/C5H5NOS/c7-6-4-2-1-3-5(6)8/h1-4,8H
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5.40E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins to 72 hrs measured after 6 hrs by stopped flow CO2 hydration method


Bioorg Med Chem Lett 22: 2182-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.129
BindingDB Entry DOI: 10.7270/Q2FJ2H78
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50366038
PNG
(CHEMBL1356238)
Show SMILES [O-][n+]1ccccc1S
Show InChI InChI=1S/C5H5NOS/c7-6-4-2-1-3-5(6)8/h1-4,8H
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5.40E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins to 72 hrs measured after 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem Lett 22: 2182-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.129
BindingDB Entry DOI: 10.7270/Q2FJ2H78
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50366033
PNG
(ASUNTOL)
Show SMILES CCOP(=S)(OCC)Oc1ccc2c(C)c(Cl)c(=O)oc2c1
Show InChI InChI=1S/C14H16ClO5PS/c1-4-17-21(22,18-5-2)20-10-6-7-11-9(3)13(15)14(16)19-12(11)8-10/h6-8H,4-5H2,1-3H3
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5.48E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 4 preincubated for 15 mins to 72 hrs measured after 6 hrs by stopped flow CO2 hydration method


Bioorg Med Chem Lett 22: 2182-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.129
BindingDB Entry DOI: 10.7270/Q2FJ2H78
More data for this
Ligand-Target Pair
Carbonic anhydrase 14


(Homo sapiens (Human))
BDBM50378564
PNG
(CHEMBL145781)
Show SMILES O=c1ccc2ccc(OCc3ccccc3)cc2o1
Show InChI InChI=1S/C16H12O3/c17-16-9-7-13-6-8-14(10-15(13)19-16)18-11-12-4-2-1-3-5-12/h1-10H,11H2
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5.60E+3n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 14 by stopped flow CO2 hydration assay


J Med Chem 53: 335-44 (2010)


Article DOI: 10.1021/jm901287j
BindingDB Entry DOI: 10.7270/Q2MS3TP5
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50366037
PNG
(CHEMBL1955873)
Show SMILES OC(=S)c1ccccc1
Show InChI InChI=1S/C7H6OS/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)
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5.64E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins to 72 hrs measured after 6 hrs by stopped flow CO2 hydration method


Bioorg Med Chem Lett 22: 2182-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.129
BindingDB Entry DOI: 10.7270/Q2FJ2H78
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50366037
PNG
(CHEMBL1955873)
Show SMILES OC(=S)c1ccccc1
Show InChI InChI=1S/C7H6OS/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)
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5.64E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins to 72 hrs measured after 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem Lett 22: 2182-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.129
BindingDB Entry DOI: 10.7270/Q2FJ2H78
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50366037
PNG
(CHEMBL1955873)
Show SMILES OC(=S)c1ccccc1
Show InChI InChI=1S/C7H6OS/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)
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5.74E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 7 preincubated for 15 mins to 72 hrs measured after 6 hrs by stopped flow CO2 hydration method


Bioorg Med Chem Lett 22: 2182-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.129
BindingDB Entry DOI: 10.7270/Q2FJ2H78
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50366037
PNG
(CHEMBL1955873)
Show SMILES OC(=S)c1ccccc1
Show InChI InChI=1S/C7H6OS/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)
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5.74E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 7 preincubated for 15 mins to 72 hrs measured after 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem Lett 22: 2182-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.129
BindingDB Entry DOI: 10.7270/Q2FJ2H78
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50378564
PNG
(CHEMBL145781)
Show SMILES O=c1ccc2ccc(OCc3ccccc3)cc2o1
Show InChI InChI=1S/C16H12O3/c17-16-9-7-13-6-8-14(10-15(13)19-16)18-11-12-4-2-1-3-5-12/h1-10H,11H2
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5.80E+3n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 4 by stopped flow CO2 hydration assay


J Med Chem 53: 335-44 (2010)


Article DOI: 10.1021/jm901287j
BindingDB Entry DOI: 10.7270/Q2MS3TP5
More data for this
Ligand-Target Pair
Carbonic anhydrase 3


(Homo sapiens (Human))
BDBM50381325
PNG
(CHEMBL2019140)
Show SMILES Nc1oc2ccc(Cl)cc2c(=O)c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C15H9Cl2NO2/c16-9-3-1-8(2-4-9)13-14(19)11-7-10(17)5-6-12(11)20-15(13)18/h1-7H,18H2
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5.90E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 3 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem Lett 22: 3063-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.071
BindingDB Entry DOI: 10.7270/Q2J1045T
More data for this
Ligand-Target Pair
Carbonic anhydrase 3


(Homo sapiens (Human))
BDBM50366037
PNG
(CHEMBL1955873)
Show SMILES OC(=S)c1ccccc1
Show InChI InChI=1S/C7H6OS/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)
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5.91E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 3 preincubated for 15 mins to 72 hrs measured after 6 hrs by stopped flow CO2 hydration method


Bioorg Med Chem Lett 22: 2182-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.129
BindingDB Entry DOI: 10.7270/Q2FJ2H78
More data for this
Ligand-Target Pair
Carbonic anhydrase 3


(Homo sapiens (Human))
BDBM50366037
PNG
(CHEMBL1955873)
Show SMILES OC(=S)c1ccccc1
Show InChI InChI=1S/C7H6OS/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)
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5.91E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 3 preincubated for 15 mins to 72 hrs measured after 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem Lett 22: 2182-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.129
BindingDB Entry DOI: 10.7270/Q2FJ2H78
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50366038
PNG
(CHEMBL1356238)
Show SMILES [O-][n+]1ccccc1S
Show InChI InChI=1S/C5H5NOS/c7-6-4-2-1-3-5(6)8/h1-4,8H
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6.13E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 4 preincubated for 15 mins to 72 hrs measured after 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem Lett 22: 2182-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.129
BindingDB Entry DOI: 10.7270/Q2FJ2H78
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50366038
PNG
(CHEMBL1356238)
Show SMILES [O-][n+]1ccccc1S
Show InChI InChI=1S/C5H5NOS/c7-6-4-2-1-3-5(6)8/h1-4,8H
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6.13E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 4 preincubated for 15 mins to 72 hrs measured after 6 hrs by stopped flow CO2 hydration method


Bioorg Med Chem Lett 22: 2182-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.129
BindingDB Entry DOI: 10.7270/Q2FJ2H78
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50366034
PNG
(CHEMBL186422)
Show SMILES O=c1ccc2ccccc2[nH]1
Show InChI InChI=1S/C9H7NO/c11-9-6-5-7-3-1-2-4-8(7)10-9/h1-6H,(H,10,11)
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6.23E+3n/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 to 72 hrs measured after 6 hrs by stopped flow CO2 hydration method


Bioorg Med Chem Lett 22: 2182-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.129
BindingDB Entry DOI: 10.7270/Q2FJ2H78
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50366034
PNG
(CHEMBL186422)
Show SMILES O=c1ccc2ccccc2[nH]1
Show InChI InChI=1S/C9H7NO/c11-9-6-5-7-3-1-2-4-8(7)10-9/h1-6H,(H,10,11)
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6.23E+3n/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 to 72 hrs measured after 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem Lett 22: 2182-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.129
BindingDB Entry DOI: 10.7270/Q2FJ2H78
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50366033
PNG
(ASUNTOL)
Show SMILES CCOP(=S)(OCC)Oc1ccc2c(C)c(Cl)c(=O)oc2c1
Show InChI InChI=1S/C14H16ClO5PS/c1-4-17-21(22,18-5-2)20-10-6-7-11-9(3)13(15)14(16)19-12(11)8-10/h6-8H,4-5H2,1-3H3
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6.41E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins to 72 hrs measured after 6 hrs by stopped flow CO2 hydration method


Bioorg Med Chem Lett 22: 2182-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.129
BindingDB Entry DOI: 10.7270/Q2FJ2H78
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50378564
PNG
(CHEMBL145781)
Show SMILES O=c1ccc2ccc(OCc3ccccc3)cc2o1
Show InChI InChI=1S/C16H12O3/c17-16-9-7-13-6-8-14(10-15(13)19-16)18-11-12-4-2-1-3-5-12/h1-10H,11H2
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6.50E+3n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 by stopped flow CO2 hydration assay


J Med Chem 53: 335-44 (2010)


Article DOI: 10.1021/jm901287j
BindingDB Entry DOI: 10.7270/Q2MS3TP5
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM36181
PNG
(SODIUM BENZOATE | benzoate | benzoic acid | benzoi...)
Show SMILES [O-]C(=O)c1ccccc1
Show InChI InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)/p-1
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7.00E+3n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DAO expressed in Escherichia coli BL21(DE3) by oxygraphic assay


J Med Chem 56: 1894-907 (2013)


Article DOI: 10.1021/jm3017865
BindingDB Entry DOI: 10.7270/Q2H70H4P
More data for this
Ligand-Target Pair
Carbonic anhydrase 13


(Mus musculus (mouse))
BDBM50378564
PNG
(CHEMBL145781)
Show SMILES O=c1ccc2ccc(OCc3ccccc3)cc2o1
Show InChI InChI=1S/C16H12O3/c17-16-9-7-13-6-8-14(10-15(13)19-16)18-11-12-4-2-1-3-5-12/h1-10H,11H2
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7.30E+3n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of mouse carbonic anhydrase 13 by stopped flow CO2 hydration assay


J Med Chem 53: 335-44 (2010)


Article DOI: 10.1021/jm901287j
BindingDB Entry DOI: 10.7270/Q2MS3TP5
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50366038
PNG
(CHEMBL1356238)
Show SMILES [O-][n+]1ccccc1S
Show InChI InChI=1S/C5H5NOS/c7-6-4-2-1-3-5(6)8/h1-4,8H
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7.76E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 7 preincubated for 15 mins to 72 hrs measured after 6 hrs by stopped flow CO2 hydration method


Bioorg Med Chem Lett 22: 2182-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.129
BindingDB Entry DOI: 10.7270/Q2FJ2H78
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50366038
PNG
(CHEMBL1356238)
Show SMILES [O-][n+]1ccccc1S
Show InChI InChI=1S/C5H5NOS/c7-6-4-2-1-3-5(6)8/h1-4,8H
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7.76E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 7 preincubated for 15 mins to 72 hrs measured after 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem Lett 22: 2182-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.129
BindingDB Entry DOI: 10.7270/Q2FJ2H78
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50381325
PNG
(CHEMBL2019140)
Show SMILES Nc1oc2ccc(Cl)cc2c(=O)c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C15H9Cl2NO2/c16-9-3-1-8(2-4-9)13-14(19)11-7-10(17)5-6-12(11)20-15(13)18/h1-7H,18H2
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7.95E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem Lett 22: 3063-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.071
BindingDB Entry DOI: 10.7270/Q2J1045T
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50366037
PNG
(CHEMBL1955873)
Show SMILES OC(=S)c1ccccc1
Show InChI InChI=1S/C7H6OS/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)
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8.10E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 4 preincubated for 15 mins to 72 hrs measured after 6 hrs by stopped flow CO2 hydration method


Bioorg Med Chem Lett 22: 2182-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.129
BindingDB Entry DOI: 10.7270/Q2FJ2H78
More data for this
Ligand-Target Pair
Carbonic anhydrase 3


(Homo sapiens (Human))
BDBM50378564
PNG
(CHEMBL145781)
Show SMILES O=c1ccc2ccc(OCc3ccccc3)cc2o1
Show InChI InChI=1S/C16H12O3/c17-16-9-7-13-6-8-14(10-15(13)19-16)18-11-12-4-2-1-3-5-12/h1-10H,11H2
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8.10E+3n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 3 by stopped flow CO2 hydration assay


J Med Chem 53: 335-44 (2010)


Article DOI: 10.1021/jm901287j
BindingDB Entry DOI: 10.7270/Q2MS3TP5
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50366037
PNG
(CHEMBL1955873)
Show SMILES OC(=S)c1ccccc1
Show InChI InChI=1S/C7H6OS/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)
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8.10E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 4 preincubated for 15 mins to 72 hrs measured after 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem Lett 22: 2182-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.129
BindingDB Entry DOI: 10.7270/Q2FJ2H78
More data for this
Ligand-Target Pair
Carbonic anhydrase 6


(Homo sapiens (Human))
BDBM50381325
PNG
(CHEMBL2019140)
Show SMILES Nc1oc2ccc(Cl)cc2c(=O)c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C15H9Cl2NO2/c16-9-3-1-8(2-4-9)13-14(19)11-7-10(17)5-6-12(11)20-15(13)18/h1-7H,18H2
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8.58E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 6 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem Lett 22: 3063-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.071
BindingDB Entry DOI: 10.7270/Q2J1045T
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50381325
PNG
(CHEMBL2019140)
Show SMILES Nc1oc2ccc(Cl)cc2c(=O)c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C15H9Cl2NO2/c16-9-3-1-8(2-4-9)13-14(19)11-7-10(17)5-6-12(11)20-15(13)18/h1-7H,18H2
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PubMed
9.31E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


Assay Description
Inhibition of transmembrane tumor-associated human carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem Lett 22: 3063-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.071
BindingDB Entry DOI: 10.7270/Q2J1045T
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50366033
PNG
(ASUNTOL)
Show SMILES CCOP(=S)(OCC)Oc1ccc2c(C)c(Cl)c(=O)oc2c1
Show InChI InChI=1S/C14H16ClO5PS/c1-4-17-21(22,18-5-2)20-10-6-7-11-9(3)13(15)14(16)19-12(11)8-10/h6-8H,4-5H2,1-3H3
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9.52E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins to 72 hrs measured after 6 hrs by stopped flow CO2 hydration method


Bioorg Med Chem Lett 22: 2182-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.129
BindingDB Entry DOI: 10.7270/Q2FJ2H78
More data for this
Ligand-Target Pair
Carbonic anhydrase 13


(Homo sapiens (Human))
BDBM50381325
PNG
(CHEMBL2019140)
Show SMILES Nc1oc2ccc(Cl)cc2c(=O)c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C15H9Cl2NO2/c16-9-3-1-8(2-4-9)13-14(19)11-7-10(17)5-6-12(11)20-15(13)18/h1-7H,18H2
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9.67E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 13 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem Lett 22: 3063-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.071
BindingDB Entry DOI: 10.7270/Q2J1045T
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50366034
PNG
(CHEMBL186422)
Show SMILES O=c1ccc2ccccc2[nH]1
Show InChI InChI=1S/C9H7NO/c11-9-6-5-7-3-1-2-4-8(7)10-9/h1-6H,(H,10,11)
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 1 incubated 15 mins prior to testing by CO2 hydration based stopped-flow assay


ACS Med Chem Lett 9: 947-951 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00362
BindingDB Entry DOI: 10.7270/Q2S18540
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50366034
PNG
(CHEMBL186422)
Show SMILES O=c1ccc2ccccc2[nH]1
Show InChI InChI=1S/C9H7NO/c11-9-6-5-7-3-1-2-4-8(7)10-9/h1-6H,(H,10,11)
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 incubated 15 mins prior to testing by CO2 hydration based stopped-flow assay


ACS Med Chem Lett 9: 947-951 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00362
BindingDB Entry DOI: 10.7270/Q2S18540
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50366037
PNG
(CHEMBL1955873)
Show SMILES OC(=S)c1ccccc1
Show InChI InChI=1S/C7H6OS/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)
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1.08E+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 to 72 hrs measured after 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem Lett 22: 2182-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.129
BindingDB Entry DOI: 10.7270/Q2FJ2H78
More data for this
Ligand-Target Pair
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Activity Spreadsheet -- ITC Data from BindingDB

Found 5 hits for monomerid = 50381325,50366033,50366034,50366037,50366038,50378564,26978,36181
Cell (A)Syringe (B)Cell
Links
Syringe
Links
Cell + Syr
Links
ΔG°
kcal/mole
-TΔS°
kcal/mole
ΔH°
kcal/mole
log KpHTemp
°C
BDBM36127
JPEG
BDBM36181
JPEG
PC cid
PC sid
CHEBI
KEGG
PC cid
PC sid
-2.51-0.669-1.831.846.9025



Japan Science and Technology Agency





J Am Chem Soc 124: 12361-71 (2002)

BDBM36127
JPEG
BDBM36181
JPEG
PC cid
PC sid
CHEBI
KEGG
PC cid
PC sid
-2.58-0.762-1.831.896.9025



Japan Science and Technology Agency





J Am Chem Soc 124: 12361-71 (2002)

BDBM36127
JPEG
BDBM36181
JPEG
PC cid
PC sid
CHEBI
KEGG
PC cid
PC sid
-2.46-0.577-1.891.816.9025



Japan Science and Technology Agency





J Am Chem Soc 124: 12361-71 (2002)

BDBM36127
JPEG
BDBM36181
JPEG
PC cid
PC sid
CHEBI
KEGG
PC cid
PC sid
-2.55-0.741-1.821.876.9025



Japan Science and Technology Agency





J Am Chem Soc 124: 12361-71 (2002)

BDBM11
JPEG
BDBM36181
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
CHEBI
KEGG
PC cid
PC sid
-1.640.869-2.511.206.9025



NIST





J Phys Chem B 101: 87-100 (1997)