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PubMed code 22468746

Compile data set for download or QSAR
Found 10 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))		BDBM239168
PNG
(Carbonic anhydrase isoenzymes inhibitor, 14)
Show SMILES Oc1cc(Br)c(cc1O)C(=O)c1cc(Br)c(O)c(O)c1O
Show InChI InChI=1S/C13H8Br2O6/c14-6-3-9(17)8(16)2-4(6)10(18)5-1-7(15)12(20)13(21)11(5)19/h1-3,16-17,19-21H
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 1.19E+6n/a 3.22E+3n/an/an/an/a7.4n/a



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 28: 402-6 (2013)


Article DOI: 10.3109/14756366.2012.670807
BindingDB Entry DOI: 10.7270/Q2MP526H
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))		BDBM239170
PNG
(Carbonic anhydrase isoenzymes inhibitor, 16)
Show SMILES Oc1cc(Br)c(Cc2cc(Br)c(O)c(O)c2O)cc1O
Show InChI InChI=1S/C13H10Br2O5/c14-7-4-10(17)9(16)3-5(7)1-6-2-8(15)12(19)13(20)11(6)18/h2-4,16-20H,1H2
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 2.59E+6n/a 4.28E+3n/an/an/an/a7.4n/a



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 28: 402-6 (2013)


Article DOI: 10.3109/14756366.2012.670807
BindingDB Entry DOI: 10.7270/Q2MP526H
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM239167
PNG
(Carbonic anhydrase isoenzymes inhibitor, 13)
Show SMILES Oc1ccc(cc1O)C(=O)c1cc(Br)c(O)c(O)c1O
Show InChI InChI=1S/C13H9BrO6/c14-7-4-6(11(18)13(20)12(7)19)10(17)5-1-2-8(15)9(16)3-5/h1-4,15-16,18-20H
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 3.25E+6n/a 1.85E+4n/an/an/an/a7.4n/a



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 28: 402-6 (2013)


Article DOI: 10.3109/14756366.2012.670807
BindingDB Entry DOI: 10.7270/Q2MP526H
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))		BDBM239167
PNG
(Carbonic anhydrase isoenzymes inhibitor, 13)
Show SMILES Oc1ccc(cc1O)C(=O)c1cc(Br)c(O)c(O)c1O
Show InChI InChI=1S/C13H9BrO6/c14-7-4-6(11(18)13(20)12(7)19)10(17)5-1-2-8(15)9(16)3-5/h1-4,15-16,18-20H
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 6.77E+6n/a 6.92E+3n/an/an/an/a7.4n/a



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 28: 402-6 (2013)


Article DOI: 10.3109/14756366.2012.670807
BindingDB Entry DOI: 10.7270/Q2MP526H
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))		BDBM239169
PNG
(Carbonic anhydrase isoenzymes inhibitor, 15)
Show SMILES Oc1ccc(Cc2ccc(O)c(O)c2O)cc1O
Show InChI InChI=1S/C13H12O5/c14-9-3-1-7(6-11(9)16)5-8-2-4-10(15)13(18)12(8)17/h1-4,6,14-18H,5H2
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 8.36E+6n/a 5.43E+4n/an/an/an/a7.4n/a



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 28: 402-6 (2013)


Article DOI: 10.3109/14756366.2012.670807
BindingDB Entry DOI: 10.7270/Q2MP526H
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM239166
PNG
(Carbonic anhydrase isoenzymes inhibitor, 5)
Show SMILES Oc1ccc(cc1O)C(=O)c1ccc(O)c(O)c1O
Show InChI InChI=1S/C13H10O6/c14-8-3-1-6(5-10(8)16)11(17)7-2-4-9(15)13(19)12(7)18/h1-5,14-16,18-19H
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 2.30E+7n/a 1.42E+5n/an/an/an/a7.4n/a



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 28: 402-6 (2013)


Article DOI: 10.3109/14756366.2012.670807
BindingDB Entry DOI: 10.7270/Q2MP526H
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM239168
PNG
(Carbonic anhydrase isoenzymes inhibitor, 14)
Show SMILES Oc1cc(Br)c(cc1O)C(=O)c1cc(Br)c(O)c(O)c1O
Show InChI InChI=1S/C13H8Br2O6/c14-6-3-9(17)8(16)2-4(6)10(18)5-1-7(15)12(20)13(21)11(5)19/h1-3,16-17,19-21H
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 2.86E+7n/a 2.45E+4n/an/an/an/a7.4n/a



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 28: 402-6 (2013)


Article DOI: 10.3109/14756366.2012.670807
BindingDB Entry DOI: 10.7270/Q2MP526H
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))		BDBM239166
PNG
(Carbonic anhydrase isoenzymes inhibitor, 5)
Show SMILES Oc1ccc(cc1O)C(=O)c1ccc(O)c(O)c1O
Show InChI InChI=1S/C13H10O6/c14-8-3-1-6(5-10(8)16)11(17)7-2-4-9(15)13(19)12(7)18/h1-5,14-16,18-19H
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 3.25E+7n/a 2.78E+4n/an/an/an/a7.4n/a



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 28: 402-6 (2013)


Article DOI: 10.3109/14756366.2012.670807
BindingDB Entry DOI: 10.7270/Q2MP526H
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM239169
PNG
(Carbonic anhydrase isoenzymes inhibitor, 15)
Show SMILES Oc1ccc(Cc2ccc(O)c(O)c2O)cc1O
Show InChI InChI=1S/C13H12O5/c14-9-3-1-7(6-11(9)16)5-8-2-4-10(15)13(18)12(8)17/h1-4,6,14-18H,5H2
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 4.25E+7n/a 7.94E+4n/an/an/an/a7.4n/a



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 28: 402-6 (2013)


Article DOI: 10.3109/14756366.2012.670807
BindingDB Entry DOI: 10.7270/Q2MP526H
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM239170
PNG
(Carbonic anhydrase isoenzymes inhibitor, 16)
Show SMILES Oc1cc(Br)c(Cc2cc(Br)c(O)c(O)c2O)cc1O
Show InChI InChI=1S/C13H10Br2O5/c14-7-4-10(17)9(16)3-5(7)1-6-2-8(15)12(19)13(20)11(6)18/h2-4,16-20H,1H2
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 1.18E+8n/a 6.36E+4n/an/an/an/a7.4n/a



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 28: 402-6 (2013)


Article DOI: 10.3109/14756366.2012.670807
BindingDB Entry DOI: 10.7270/Q2MP526H
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%