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PubMed code 23323953

Compile data set for download or QSAR
Found 18 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 2


(Homo sapiens (Human))		BDBM246510
PNG
(1-(4-(1,3,7,7-Tetramethyl-5-oxo-1,2,3,4,5,6,7,8-oc...)
Show SMILES CN1C(C2=C(CC(C)(C)CC2=O)N(C)C1=O)c1ccc(NC(=S)Nc2cccc(c2)C(F)(F)F)cc1 |t:3|
Show InChI InChI=1S/C26H27F3N4O2S/c1-25(2)13-19-21(20(34)14-25)22(33(4)24(35)32(19)3)15-8-10-17(11-9-15)30-23(36)31-18-7-5-6-16(12-18)26(27,28)29/h5-12,22H,13-14H2,1-4H3,(H2,30,31,36)
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n/an/a 6.31E+4n/an/an/an/an/an/a



Sakarya University



Assay Description
For the inhibition studies of sulphanilamide, different concentrationsof these compounds were added to the enzyme. Activity percentage values of CA f...

J Enzyme Inhib Med Chem 29: 18-22 (2014)


Article DOI: 10.3109/14756366.2012.746972
BindingDB Entry DOI: 10.7270/Q28S4NVM
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))		BDBM246507
PNG
(1-(4-Fluorophenyl)-3-(4-(1,3,7,7-tetramethyl-5-oxo...)
Show SMILES CN1C(C2=C(CC(C)(C)CC2=O)N(C)C1=O)c1ccc(NC(=O)Nc2ccc(F)cc2)cc1 |t:3|
Show InChI InChI=1S/C25H27FN4O3/c1-25(2)13-19-21(20(31)14-25)22(30(4)24(33)29(19)3)15-5-9-17(10-6-15)27-23(32)28-18-11-7-16(26)8-12-18/h5-12,22H,13-14H2,1-4H3,(H2,27,28,32)
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n/an/a 6.62E+4n/an/an/an/an/an/a



Sakarya University



Assay Description
For the inhibition studies of sulphanilamide, different concentrationsof these compounds were added to the enzyme. Activity percentage values of CA f...

J Enzyme Inhib Med Chem 29: 18-22 (2014)


Article DOI: 10.3109/14756366.2012.746972
BindingDB Entry DOI: 10.7270/Q28S4NVM
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM246508
PNG
(1-Phenyl-3-(4-(1,3,7,7-tetramethyl-5-oxo-1,2,3,4,5...)
Show SMILES CN1C(C2=C(CC(C)(C)CC2=O)N(C)C1=O)c1ccc(NC(=S)Nc2ccccc2)cc1 |t:3|
Show InChI InChI=1S/C25H28N4O2S/c1-25(2)14-19-21(20(30)15-25)22(29(4)24(31)28(19)3)16-10-12-18(13-11-16)27-23(32)26-17-8-6-5-7-9-17/h5-13,22H,14-15H2,1-4H3,(H2,26,27,32)
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n/an/a 8.89E+4n/an/an/an/an/an/a



Sakarya University



Assay Description
For the inhibition studies of sulphanilamide, different concentrationsof these compounds were added to the enzyme. Activity percentage values of CA f...

J Enzyme Inhib Med Chem 29: 18-22 (2014)


Article DOI: 10.3109/14756366.2012.746972
BindingDB Entry DOI: 10.7270/Q28S4NVM
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM246513
PNG
(1-(3-Fluorophenyl)-3-(4-(1,3,7,7-tetramethyl-5-oxo...)
Show SMILES CN1C(C2=C(CC(C)(C)CC2=O)N(C)C1=O)c1ccc(NC(=S)Nc2cccc(F)c2)cc1 |t:3|
Show InChI InChI=1S/C25H27FN4O2S/c1-25(2)13-19-21(20(31)14-25)22(30(4)24(32)29(19)3)15-8-10-17(11-9-15)27-23(33)28-18-7-5-6-16(26)12-18/h5-12,22H,13-14H2,1-4H3,(H2,27,28,33)
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n/an/a 8.92E+4n/an/an/an/an/an/a



Sakarya University



Assay Description
For the inhibition studies of sulphanilamide, different concentrationsof these compounds were added to the enzyme. Activity percentage values of CA f...

J Enzyme Inhib Med Chem 29: 18-22 (2014)


Article DOI: 10.3109/14756366.2012.746972
BindingDB Entry DOI: 10.7270/Q28S4NVM
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))		BDBM246510
PNG
(1-(4-(1,3,7,7-Tetramethyl-5-oxo-1,2,3,4,5,6,7,8-oc...)
Show SMILES CN1C(C2=C(CC(C)(C)CC2=O)N(C)C1=O)c1ccc(NC(=S)Nc2cccc(c2)C(F)(F)F)cc1 |t:3|
Show InChI InChI=1S/C26H27F3N4O2S/c1-25(2)13-19-21(20(34)14-25)22(33(4)24(35)32(19)3)15-8-10-17(11-9-15)30-23(36)31-18-7-5-6-16(12-18)26(27,28)29/h5-12,22H,13-14H2,1-4H3,(H2,30,31,36)
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n/an/a 1.06E+5n/an/an/an/an/an/a



Sakarya University



Assay Description
For the inhibition studies of sulphanilamide, different concentrationsof these compounds were added to the enzyme. Activity percentage values of CA f...

J Enzyme Inhib Med Chem 29: 18-22 (2014)


Article DOI: 10.3109/14756366.2012.746972
BindingDB Entry DOI: 10.7270/Q28S4NVM
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))		BDBM246513
PNG
(1-(3-Fluorophenyl)-3-(4-(1,3,7,7-tetramethyl-5-oxo...)
Show SMILES CN1C(C2=C(CC(C)(C)CC2=O)N(C)C1=O)c1ccc(NC(=S)Nc2cccc(F)c2)cc1 |t:3|
Show InChI InChI=1S/C25H27FN4O2S/c1-25(2)13-19-21(20(31)14-25)22(30(4)24(32)29(19)3)15-8-10-17(11-9-15)27-23(33)28-18-7-5-6-16(26)12-18/h5-12,22H,13-14H2,1-4H3,(H2,27,28,33)
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n/an/a 1.30E+5n/an/an/an/an/an/a



Sakarya University



Assay Description
For the inhibition studies of sulphanilamide, different concentrationsof these compounds were added to the enzyme. Activity percentage values of CA f...

J Enzyme Inhib Med Chem 29: 18-22 (2014)


Article DOI: 10.3109/14756366.2012.746972
BindingDB Entry DOI: 10.7270/Q28S4NVM
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))		BDBM246512
PNG
(1-(2,4-Dichlorophenyl)-3-(4-(1,3,7,7-tetramethyl-5...)
Show SMILES CN1C(C2=C(CC(C)(C)CC2=O)N(C)C1=O)c1ccc(NC(=S)Nc2ccc(Cl)cc2Cl)cc1 |t:3|
Show InChI InChI=1S/C25H26Cl2N4O2S/c1-25(2)12-19-21(20(32)13-25)22(31(4)24(33)30(19)3)14-5-8-16(9-6-14)28-23(34)29-18-10-7-15(26)11-17(18)27/h5-11,22H,12-13H2,1-4H3,(H2,28,29,34)
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n/an/a 1.32E+5n/an/an/an/an/an/a



Sakarya University



Assay Description
For the inhibition studies of sulphanilamide, different concentrationsof these compounds were added to the enzyme. Activity percentage values of CA f...

J Enzyme Inhib Med Chem 29: 18-22 (2014)


Article DOI: 10.3109/14756366.2012.746972
BindingDB Entry DOI: 10.7270/Q28S4NVM
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))		BDBM246505
PNG
(1-Phenyl-3-(4-(1,3,7,7-tetramethyl-5-oxo-1,2,3,4,5...)
Show SMILES CN1C(C2=C(CC(C)(C)CC2=O)N(C)C1=O)c1ccc(NC(=O)Nc2ccccc2)cc1 |t:3|
Show InChI InChI=1S/C25H28N4O3/c1-25(2)14-19-21(20(30)15-25)22(29(4)24(32)28(19)3)16-10-12-18(13-11-16)27-23(31)26-17-8-6-5-7-9-17/h5-13,22H,14-15H2,1-4H3,(H2,26,27,31)
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n/an/a 1.35E+5n/an/an/an/an/an/a



Sakarya University



Assay Description
For the inhibition studies of sulphanilamide, different concentrationsof these compounds were added to the enzyme. Activity percentage values of CA f...

J Enzyme Inhib Med Chem 29: 18-22 (2014)


Article DOI: 10.3109/14756366.2012.746972
BindingDB Entry DOI: 10.7270/Q28S4NVM
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))		BDBM246508
PNG
(1-Phenyl-3-(4-(1,3,7,7-tetramethyl-5-oxo-1,2,3,4,5...)
Show SMILES CN1C(C2=C(CC(C)(C)CC2=O)N(C)C1=O)c1ccc(NC(=S)Nc2ccccc2)cc1 |t:3|
Show InChI InChI=1S/C25H28N4O2S/c1-25(2)14-19-21(20(30)15-25)22(29(4)24(31)28(19)3)16-10-12-18(13-11-16)27-23(32)26-17-8-6-5-7-9-17/h5-13,22H,14-15H2,1-4H3,(H2,26,27,32)
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n/an/a 1.36E+5n/an/an/an/an/an/a



Sakarya University



Assay Description
For the inhibition studies of sulphanilamide, different concentrationsof these compounds were added to the enzyme. Activity percentage values of CA f...

J Enzyme Inhib Med Chem 29: 18-22 (2014)


Article DOI: 10.3109/14756366.2012.746972
BindingDB Entry DOI: 10.7270/Q28S4NVM
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM246507
PNG
(1-(4-Fluorophenyl)-3-(4-(1,3,7,7-tetramethyl-5-oxo...)
Show SMILES CN1C(C2=C(CC(C)(C)CC2=O)N(C)C1=O)c1ccc(NC(=O)Nc2ccc(F)cc2)cc1 |t:3|
Show InChI InChI=1S/C25H27FN4O3/c1-25(2)13-19-21(20(31)14-25)22(30(4)24(33)29(19)3)15-5-9-17(10-6-15)27-23(32)28-18-11-7-16(26)8-12-18/h5-12,22H,13-14H2,1-4H3,(H2,27,28,32)
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n/an/a 1.42E+5n/an/an/an/an/an/a



Sakarya University



Assay Description
For the inhibition studies of sulphanilamide, different concentrationsof these compounds were added to the enzyme. Activity percentage values of CA f...

J Enzyme Inhib Med Chem 29: 18-22 (2014)


Article DOI: 10.3109/14756366.2012.746972
BindingDB Entry DOI: 10.7270/Q28S4NVM
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM246512
PNG
(1-(2,4-Dichlorophenyl)-3-(4-(1,3,7,7-tetramethyl-5...)
Show SMILES CN1C(C2=C(CC(C)(C)CC2=O)N(C)C1=O)c1ccc(NC(=S)Nc2ccc(Cl)cc2Cl)cc1 |t:3|
Show InChI InChI=1S/C25H26Cl2N4O2S/c1-25(2)12-19-21(20(32)13-25)22(31(4)24(33)30(19)3)14-5-8-16(9-6-14)28-23(34)29-18-10-7-15(26)11-17(18)27/h5-11,22H,12-13H2,1-4H3,(H2,28,29,34)
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n/an/a 1.51E+5n/an/an/an/an/an/a



Sakarya University



Assay Description
For the inhibition studies of sulphanilamide, different concentrationsof these compounds were added to the enzyme. Activity percentage values of CA f...

J Enzyme Inhib Med Chem 29: 18-22 (2014)


Article DOI: 10.3109/14756366.2012.746972
BindingDB Entry DOI: 10.7270/Q28S4NVM
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM246505
PNG
(1-Phenyl-3-(4-(1,3,7,7-tetramethyl-5-oxo-1,2,3,4,5...)
Show SMILES CN1C(C2=C(CC(C)(C)CC2=O)N(C)C1=O)c1ccc(NC(=O)Nc2ccccc2)cc1 |t:3|
Show InChI InChI=1S/C25H28N4O3/c1-25(2)14-19-21(20(30)15-25)22(29(4)24(32)28(19)3)16-10-12-18(13-11-16)27-23(31)26-17-8-6-5-7-9-17/h5-13,22H,14-15H2,1-4H3,(H2,26,27,31)
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n/an/a 1.53E+5n/an/an/an/an/an/a



Sakarya University



Assay Description
For the inhibition studies of sulphanilamide, different concentrationsof these compounds were added to the enzyme. Activity percentage values of CA f...

J Enzyme Inhib Med Chem 29: 18-22 (2014)


Article DOI: 10.3109/14756366.2012.746972
BindingDB Entry DOI: 10.7270/Q28S4NVM
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))		BDBM246506
PNG
(1-(4-Methoxyphenyl)-3-(4-(1,3,7,7-tetramethyl-5-ox...)
Show SMILES COc1ccc(NC(=O)Nc2ccc(cc2)C2N(C)C(=O)N(C)C3=C2C(=O)CC(C)(C)C3)cc1 |c:24|
Show InChI InChI=1S/C26H30N4O4/c1-26(2)14-20-22(21(31)15-26)23(30(4)25(33)29(20)3)16-6-8-17(9-7-16)27-24(32)28-18-10-12-19(34-5)13-11-18/h6-13,23H,14-15H2,1-5H3,(H2,27,28,32)
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n/an/a 1.53E+5n/an/an/an/an/an/a



Sakarya University



Assay Description
For the inhibition studies of sulphanilamide, different concentrationsof these compounds were added to the enzyme. Activity percentage values of CA f...

J Enzyme Inhib Med Chem 29: 18-22 (2014)


Article DOI: 10.3109/14756366.2012.746972
BindingDB Entry DOI: 10.7270/Q28S4NVM
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM246509
PNG
(1-(4-Nitrophenyl)-3-(4-(1,3,7,7-tetramethyl-5-oxo-...)
Show SMILES CN1C(C2=C(CC(C)(C)CC2=O)N(C)C1=O)c1ccc(NC(=S)Nc2ccc(cc2)[N+]([O-])=O)cc1 |t:3|
Show InChI InChI=1S/C25H27N5O4S/c1-25(2)13-19-21(20(31)14-25)22(29(4)24(32)28(19)3)15-5-7-16(8-6-15)26-23(35)27-17-9-11-18(12-10-17)30(33)34/h5-12,22H,13-14H2,1-4H3,(H2,26,27,35)
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n/an/a 1.55E+5n/an/an/an/an/an/a



Sakarya University



Assay Description
For the inhibition studies of sulphanilamide, different concentrationsof these compounds were added to the enzyme. Activity percentage values of CA f...

J Enzyme Inhib Med Chem 29: 18-22 (2014)


Article DOI: 10.3109/14756366.2012.746972
BindingDB Entry DOI: 10.7270/Q28S4NVM
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM246506
PNG
(1-(4-Methoxyphenyl)-3-(4-(1,3,7,7-tetramethyl-5-ox...)
Show SMILES COc1ccc(NC(=O)Nc2ccc(cc2)C2N(C)C(=O)N(C)C3=C2C(=O)CC(C)(C)C3)cc1 |c:24|
Show InChI InChI=1S/C26H30N4O4/c1-26(2)14-20-22(21(31)15-26)23(30(4)25(33)29(20)3)16-6-8-17(9-7-16)27-24(32)28-18-10-12-19(34-5)13-11-18/h6-13,23H,14-15H2,1-5H3,(H2,27,28,32)
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n/an/a 1.57E+5n/an/an/an/an/an/a



Sakarya University



Assay Description
For the inhibition studies of sulphanilamide, different concentrationsof these compounds were added to the enzyme. Activity percentage values of CA f...

J Enzyme Inhib Med Chem 29: 18-22 (2014)


Article DOI: 10.3109/14756366.2012.746972
BindingDB Entry DOI: 10.7270/Q28S4NVM
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))		BDBM246511
PNG
(1-(3-Methoxyphenyl)-3-(4-(1,3,7,7-tetramethyl-5-ox...)
Show SMILES COc1cccc(NC(=S)Nc2ccc(cc2)C2N(C)C(=O)N(C)C3=C2C(=O)CC(C)(C)C3)c1 |c:25|
Show InChI InChI=1S/C26H30N4O3S/c1-26(2)14-20-22(21(31)15-26)23(30(4)25(32)29(20)3)16-9-11-17(12-10-16)27-24(34)28-18-7-6-8-19(13-18)33-5/h6-13,23H,14-15H2,1-5H3,(H2,27,28,34)
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n/an/a 1.64E+5n/an/an/an/an/an/a



Sakarya University



Assay Description
For the inhibition studies of sulphanilamide, different concentrationsof these compounds were added to the enzyme. Activity percentage values of CA f...

J Enzyme Inhib Med Chem 29: 18-22 (2014)


Article DOI: 10.3109/14756366.2012.746972
BindingDB Entry DOI: 10.7270/Q28S4NVM
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM246511
PNG
(1-(3-Methoxyphenyl)-3-(4-(1,3,7,7-tetramethyl-5-ox...)
Show SMILES COc1cccc(NC(=S)Nc2ccc(cc2)C2N(C)C(=O)N(C)C3=C2C(=O)CC(C)(C)C3)c1 |c:25|
Show InChI InChI=1S/C26H30N4O3S/c1-26(2)14-20-22(21(31)15-26)23(30(4)25(32)29(20)3)16-9-11-17(12-10-16)27-24(34)28-18-7-6-8-19(13-18)33-5/h6-13,23H,14-15H2,1-5H3,(H2,27,28,34)
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n/an/a 1.70E+5n/an/an/an/an/an/a



Sakarya University



Assay Description
For the inhibition studies of sulphanilamide, different concentrationsof these compounds were added to the enzyme. Activity percentage values of CA f...

J Enzyme Inhib Med Chem 29: 18-22 (2014)


Article DOI: 10.3109/14756366.2012.746972
BindingDB Entry DOI: 10.7270/Q28S4NVM
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))		BDBM246509
PNG
(1-(4-Nitrophenyl)-3-(4-(1,3,7,7-tetramethyl-5-oxo-...)
Show SMILES CN1C(C2=C(CC(C)(C)CC2=O)N(C)C1=O)c1ccc(NC(=S)Nc2ccc(cc2)[N+]([O-])=O)cc1 |t:3|
Show InChI InChI=1S/C25H27N5O4S/c1-25(2)13-19-21(20(31)14-25)22(29(4)24(32)28(19)3)15-5-7-16(8-6-15)26-23(35)27-17-9-11-18(12-10-17)30(33)34/h5-12,22H,13-14H2,1-4H3,(H2,26,27,35)
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.98E+5n/an/an/an/an/an/a



Sakarya University



Assay Description
For the inhibition studies of sulphanilamide, different concentrationsof these compounds were added to the enzyme. Activity percentage values of CA f...

J Enzyme Inhib Med Chem 29: 18-22 (2014)


Article DOI: 10.3109/14756366.2012.746972
BindingDB Entry DOI: 10.7270/Q28S4NVM
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%