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PubMed code 23391138

Compile data set for download or QSAR
Found 14 hits of 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 1


(Homo sapiens (human))
BDBM246590
PNG
(N-((2,3-dimethoxyphenyl)(3,4-dimethoxyphenyl)methy...)
Show SMILES COc1ccc(cc1OC)C(NS(C)(=O)=O)c1cccc(OC)c1OC
Show InChI InChI=1S/C18H23NO6S/c1-22-14-10-9-12(11-16(14)24-3)17(19-26(5,20)21)13-7-6-8-15(23-2)18(13)25-4/h6-11,17,19H,1-5H3
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3.68E+3 -31.0n/an/an/an/an/a7.425



Atatürk University



Assay Description
CA activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a period of 3 min ...


J Enzyme Inhib Med Chem 29: 168-74 (2014)


Article DOI: 10.3109/14756366.2012.763163
BindingDB Entry DOI: 10.7270/Q2H99447
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM246590
PNG
(N-((2,3-dimethoxyphenyl)(3,4-dimethoxyphenyl)methy...)
Show SMILES COc1ccc(cc1OC)C(NS(C)(=O)=O)c1cccc(OC)c1OC
Show InChI InChI=1S/C18H23NO6S/c1-22-14-10-9-12(11-16(14)24-3)17(19-26(5,20)21)13-7-6-8-15(23-2)18(13)25-4/h6-11,17,19H,1-5H3
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9.23E+3 -28.7n/an/an/an/an/a7.425



Atatürk University



Assay Description
CA activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a period of 3 min ...


J Enzyme Inhib Med Chem 29: 168-74 (2014)


Article DOI: 10.3109/14756366.2012.763163
BindingDB Entry DOI: 10.7270/Q2H99447
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (human))
BDBM246584
PNG
(bis(3,4-dimethoxyphenyl)methanamine hydrochloride ...)
Show SMILES COc1ccc(cc1OC)C(N)c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C17H21NO4/c1-19-13-7-5-11(9-15(13)21-3)17(18)12-6-8-14(20-2)16(10-12)22-4/h5-10,17H,18H2,1-4H3
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1.37E+4 -27.8n/an/an/an/an/a7.425



Atatürk University



Assay Description
CA activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a period of 3 min ...


J Enzyme Inhib Med Chem 29: 168-74 (2014)


Article DOI: 10.3109/14756366.2012.763163
BindingDB Entry DOI: 10.7270/Q2H99447
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM246584
PNG
(bis(3,4-dimethoxyphenyl)methanamine hydrochloride ...)
Show SMILES COc1ccc(cc1OC)C(N)c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C17H21NO4/c1-19-13-7-5-11(9-15(13)21-3)17(18)12-6-8-14(20-2)16(10-12)22-4/h5-10,17H,18H2,1-4H3
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1.56E+4 -27.4n/an/an/an/an/a7.425



Atatürk University



Assay Description
Reaction product is determined quantitatively by fluorescent polarization using progressive IMAP beads from Molecular Devices.


J Enzyme Inhib Med Chem 29: 168-74 (2014)


Article DOI: 10.3109/14756366.2012.763163
BindingDB Entry DOI: 10.7270/Q2H99447
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM246588
PNG
(N-(bis(3,4-dimethoxyphenyl)methyl)methanesulfonami...)
Show SMILES COc1ccc(cc1OC)C(NS(C)(=O)=O)c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C18H23NO6S/c1-22-14-8-6-12(10-16(14)24-3)18(19-26(5,20)21)13-7-9-15(23-2)17(11-13)25-4/h6-11,18-19H,1-5H3
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1.81E+4 -27.1n/an/an/an/an/a7.425



Atatürk University



Assay Description
CA activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a period of 3 min ...


J Enzyme Inhib Med Chem 29: 168-74 (2014)


Article DOI: 10.3109/14756366.2012.763163
BindingDB Entry DOI: 10.7270/Q2H99447
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM246589
PNG
(N-((4,5-dimethoxy-2-methylphenyl)(3,4-dimethoxyphe...)
Show SMILES COc1ccc(cc1OC)C(NS(C)(=O)=O)c1cc(OC)c(OC)cc1C
Show InChI InChI=1S/C19H25NO6S/c1-12-9-16(24-3)18(26-5)11-14(12)19(20-27(6,21)22)13-7-8-15(23-2)17(10-13)25-4/h7-11,19-20H,1-6H3
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1.90E+4 -27.0n/an/an/an/an/a7.425



Atatürk University



Assay Description
CA activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a period of 3 min ...


J Enzyme Inhib Med Chem 29: 168-74 (2014)


Article DOI: 10.3109/14756366.2012.763163
BindingDB Entry DOI: 10.7270/Q2H99447
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (human))
BDBM246588
PNG
(N-(bis(3,4-dimethoxyphenyl)methyl)methanesulfonami...)
Show SMILES COc1ccc(cc1OC)C(NS(C)(=O)=O)c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C18H23NO6S/c1-22-14-8-6-12(10-16(14)24-3)18(19-26(5,20)21)13-7-9-15(23-2)17(11-13)25-4/h6-11,18-19H,1-5H3
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2.56E+4 -26.2n/an/an/an/an/a7.425



Atatürk University



Assay Description
CA activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a period of 3 min ...


J Enzyme Inhib Med Chem 29: 168-74 (2014)


Article DOI: 10.3109/14756366.2012.763163
BindingDB Entry DOI: 10.7270/Q2H99447
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM246585
PNG
((2,4-Dimethoxyphenyl)(3,4-dimethoxyphenyl)methanam...)
Show SMILES COc1ccc(C(N)c2ccc(OC)c(OC)c2)c(OC)c1
Show InChI InChI=1S/C17H21NO4/c1-19-12-6-7-13(15(10-12)21-3)17(18)11-5-8-14(20-2)16(9-11)22-4/h5-10,17H,18H2,1-4H3
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3.43E+4 -25.5n/an/an/an/an/a7.425



Atatürk University



Assay Description
CA activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a period of 3 min ...


J Enzyme Inhib Med Chem 29: 168-74 (2014)


Article DOI: 10.3109/14756366.2012.763163
BindingDB Entry DOI: 10.7270/Q2H99447
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (human))
BDBM246585
PNG
((2,4-Dimethoxyphenyl)(3,4-dimethoxyphenyl)methanam...)
Show SMILES COc1ccc(C(N)c2ccc(OC)c(OC)c2)c(OC)c1
Show InChI InChI=1S/C17H21NO4/c1-19-12-6-7-13(15(10-12)21-3)17(18)11-5-8-14(20-2)16(9-11)22-4/h5-10,17H,18H2,1-4H3
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3.60E+4 -25.4n/an/an/an/an/a7.425



Atatürk University



Assay Description
CA activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a period of 3 min ...


J Enzyme Inhib Med Chem 29: 168-74 (2014)


Article DOI: 10.3109/14756366.2012.763163
BindingDB Entry DOI: 10.7270/Q2H99447
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (human))
BDBM246586
PNG
((4,5-Dimethoxy-2-methylphenyl)(3,4-dimethoxyphenyl...)
Show SMILES COc1ccc(cc1OC)C(N)c1cc(OC)c(OC)cc1C
Show InChI InChI=1S/C18H23NO4/c1-11-8-15(21-3)17(23-5)10-13(11)18(19)12-6-7-14(20-2)16(9-12)22-4/h6-10,18H,19H2,1-5H3
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3.95E+4 -25.1n/an/an/an/an/a7.425



Atatürk University



Assay Description
CA activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a period of 3 min ...


J Enzyme Inhib Med Chem 29: 168-74 (2014)


Article DOI: 10.3109/14756366.2012.763163
BindingDB Entry DOI: 10.7270/Q2H99447
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM246586
PNG
((4,5-Dimethoxy-2-methylphenyl)(3,4-dimethoxyphenyl...)
Show SMILES COc1ccc(cc1OC)C(N)c1cc(OC)c(OC)cc1C
Show InChI InChI=1S/C18H23NO4/c1-11-8-15(21-3)17(23-5)10-13(11)18(19)12-6-7-14(20-2)16(9-12)22-4/h6-10,18H,19H2,1-5H3
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4.76E+4 -24.7n/an/an/an/an/a7.425



Atatürk University



Assay Description
CA activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a period of 3 min ...


J Enzyme Inhib Med Chem 29: 168-74 (2014)


Article DOI: 10.3109/14756366.2012.763163
BindingDB Entry DOI: 10.7270/Q2H99447
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (human))
BDBM246589
PNG
(N-((4,5-dimethoxy-2-methylphenyl)(3,4-dimethoxyphe...)
Show SMILES COc1ccc(cc1OC)C(NS(C)(=O)=O)c1cc(OC)c(OC)cc1C
Show InChI InChI=1S/C19H25NO6S/c1-12-9-16(24-3)18(26-5)11-14(12)19(20-27(6,21)22)13-7-8-15(23-2)17(10-13)25-4/h7-11,19-20H,1-6H3
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4.86E+4 -24.6n/an/an/an/an/a7.425



Atatürk University



Assay Description
CA activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a period of 3 min ...


J Enzyme Inhib Med Chem 29: 168-74 (2014)


Article DOI: 10.3109/14756366.2012.763163
BindingDB Entry DOI: 10.7270/Q2H99447
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (human))
BDBM246587
PNG
((2,3-Dimethoxyphenyl)(3,4-dimethoxyphenyl)methanam...)
Show SMILES COc1ccc(cc1OC)C(N)c1cccc(OC)c1OC
Show InChI InChI=1S/C17H21NO4/c1-19-13-9-8-11(10-15(13)21-3)16(18)12-6-5-7-14(20-2)17(12)22-4/h5-10,16H,18H2,1-4H3
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6.69E+4 -23.8n/an/an/an/an/a7.425



Atatürk University



Assay Description
CA activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a period of 3 min ...


J Enzyme Inhib Med Chem 29: 168-74 (2014)


Article DOI: 10.3109/14756366.2012.763163
BindingDB Entry DOI: 10.7270/Q2H99447
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM246587
PNG
((2,3-Dimethoxyphenyl)(3,4-dimethoxyphenyl)methanam...)
Show SMILES COc1ccc(cc1OC)C(N)c1cccc(OC)c1OC
Show InChI InChI=1S/C17H21NO4/c1-19-13-9-8-11(10-15(13)21-3)16(18)12-6-5-7-14(20-2)17(12)22-4/h5-10,16H,18H2,1-4H3
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7.33E+4 -23.6n/an/an/an/an/a7.425



Atatürk University



Assay Description
CA activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a period of 3 min ...


J Enzyme Inhib Med Chem 29: 168-74 (2014)


Article DOI: 10.3109/14756366.2012.763163
BindingDB Entry DOI: 10.7270/Q2H99447
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%