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PubMed code 21635211

Compile data set for download or QSAR
Found 12 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))
BDBM235679
PNG
((2-Bromo-3,4-dihydroxyphenyl)(2,3-dibromo-4,5-dihy...)
Show SMILES Oc1ccc(C(=O)c2cc(O)c(O)c(Br)c2Br)c(Br)c1O
Show InChI InChI=1S/C13H7Br3O5/c14-8-5(3-7(18)13(21)10(8)16)11(19)4-1-2-6(17)12(20)9(4)15/h1-3,17-18,20-21H
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n/an/a 700n/an/an/an/an/an/a



Atatürk University



Assay Description
Carbonic anhydrase activity was assayed by following the hydration of CO2 according to our previous studies [Soyut et al., Protein Pept. Lett., 15:52...


J Enzyme Inhib Med Chem 27: 43-50 (2012)


Article DOI: 10.3109/14756366.2011.574131
BindingDB Entry DOI: 10.7270/Q2CR5S75
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM235681
PNG
((2-Bromo-4,5-dihydroxyphenyl)(2,5-dibromo-3,4-dihy...)
Show SMILES Oc1cc(Br)c(cc1O)C(=O)c1cc(Br)c(O)c(O)c1Br
Show InChI InChI=1S/C13H7Br3O5/c14-6-3-9(18)8(17)2-4(6)11(19)5-1-7(15)12(20)13(21)10(5)16/h1-3,17-18,20-21H
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n/an/a 1.36E+3n/an/an/an/an/an/a



Atatürk University



Assay Description
Carbonic anhydrase activity was assayed by following the hydration of CO2 according to our previous studies [Soyut et al., Protein Pept. Lett., 15:52...


J Enzyme Inhib Med Chem 27: 43-50 (2012)


Article DOI: 10.3109/14756366.2011.574131
BindingDB Entry DOI: 10.7270/Q2CR5S75
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM235678
PNG
((2-Bromo-3,4-dihydroxyphenyl)(2-bromo-4,5-dihydrox...)
Show SMILES Oc1ccc(C(=O)c2cc(O)c(O)cc2Br)c(Br)c1O
Show InChI InChI=1S/C13H8Br2O5/c14-7-4-10(18)9(17)3-6(7)12(19)5-1-2-8(16)13(20)11(5)15/h1-4,16-18,20H
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n/an/a 1.65E+3n/an/an/an/an/an/a



Atatürk University



Assay Description
Carbonic anhydrase activity was assayed by following the hydration of CO2 according to our previous studies [Soyut et al., Protein Pept. Lett., 15:52...


J Enzyme Inhib Med Chem 27: 43-50 (2012)


Article DOI: 10.3109/14756366.2011.574131
BindingDB Entry DOI: 10.7270/Q2CR5S75
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM235680
PNG
((2-Bromo-4,5-dihydroxyphenyl)(2,6-dibromo-3,4-dime...)
Show SMILES Oc1cc(Br)c(cc1O)C(=O)c1c(Br)cc(O)c(O)c1Br
Show InChI InChI=1S/C13H7Br3O5/c14-5-2-8(18)7(17)1-4(5)12(20)10-6(15)3-9(19)13(21)11(10)16/h1-3,17-19,21H
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n/an/a 9.23E+3n/an/an/an/an/an/a



Atatürk University



Assay Description
Carbonic anhydrase activity was assayed by following the hydration of CO2 according to our previous studies [Soyut et al., Protein Pept. Lett., 15:52...


J Enzyme Inhib Med Chem 27: 43-50 (2012)


Article DOI: 10.3109/14756366.2011.574131
BindingDB Entry DOI: 10.7270/Q2CR5S75
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM235674
PNG
((2-Bromo-3,4-dimethoxyphenyl)(2-bromo-4,5-dimethox...)
Show SMILES COc1cc(Br)c(cc1OC)C(=O)c1ccc(OC)c(OC)c1Br
Show InChI InChI=1S/C17H16Br2O5/c1-21-12-6-5-9(15(19)17(12)24-4)16(20)10-7-13(22-2)14(23-3)8-11(10)18/h5-8H,1-4H3
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n/an/a 1.17E+4n/an/an/an/an/an/a



Atatürk University



Assay Description
Carbonic anhydrase activity was assayed by following the hydration of CO2 according to our previous studies [Soyut et al., Protein Pept. Lett., 15:52...


J Enzyme Inhib Med Chem 27: 43-50 (2012)


Article DOI: 10.3109/14756366.2011.574131
BindingDB Entry DOI: 10.7270/Q2CR5S75
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM235672
PNG
((2-bromo-3,4-dihydroxyphenyl)(3,4-dihydroxyphenyl)...)
Show SMILES Oc1ccc(cc1O)C(=O)c1ccc(O)c(O)c1Br
Show InChI InChI=1S/C13H9BrO5/c14-11-7(2-4-9(16)13(11)19)12(18)6-1-3-8(15)10(17)5-6/h1-5,15-17,19H
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n/an/a 2.64E+4n/an/an/an/an/an/a



Atatürk University



Assay Description
Carbonic anhydrase activity was assayed by following the hydration of CO2 according to our previous studies [Soyut et al., Protein Pept. Lett., 15:52...


J Enzyme Inhib Med Chem 27: 43-50 (2012)


Article DOI: 10.3109/14756366.2011.574131
BindingDB Entry DOI: 10.7270/Q2CR5S75
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50363494
PNG
(5,5'-methylenebis(3,4,6-tribromo-benzene-1,2-d...)
Show SMILES Oc1c(O)c(Br)c(Cc2c(Br)c(O)c(O)c(Br)c2Br)c(Br)c1Br
Show InChI InChI=1S/C13H6Br6O4/c14-4-2(6(16)10(20)12(22)8(4)18)1-3-5(15)9(19)13(23)11(21)7(3)17/h20-23H,1H2
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Article
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n/an/a 3.83E+4n/an/an/an/an/an/a



Atatürk University



Assay Description
Carbonic anhydrase activity was assayed by following the hydration of CO2 according to our previous studies [Soyut et al., Protein Pept. Lett., 15:52...


J Enzyme Inhib Med Chem 27: 43-50 (2012)


Article DOI: 10.3109/14756366.2011.574131
BindingDB Entry DOI: 10.7270/Q2CR5S75
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM235675
PNG
((2-Bromo-3,4-dimethoxyphenyl)(2,3-dibromo-4,5-dime...)
Show SMILES COc1ccc(C(=O)c2cc(OC)c(OC)c(Br)c2Br)c(Br)c1OC
Show InChI InChI=1S/C17H15Br3O5/c1-22-10-6-5-8(13(19)16(10)24-3)15(21)9-7-11(23-2)17(25-4)14(20)12(9)18/h5-7H,1-4H3
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n/an/a 4.95E+4n/an/an/an/an/an/a



Atatürk University



Assay Description
Carbonic anhydrase activity was assayed by following the hydration of CO2 according to our previous studies [Soyut et al., Protein Pept. Lett., 15:52...


J Enzyme Inhib Med Chem 27: 43-50 (2012)


Article DOI: 10.3109/14756366.2011.574131
BindingDB Entry DOI: 10.7270/Q2CR5S75
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM235677
PNG
((2-Bromo-4,5-dimethoxyphenyl)(2,5-dibromo-3,4-dime...)
Show SMILES COc1cc(Br)c(cc1OC)C(=O)c1cc(Br)c(OC)c(OC)c1Br
Show InChI InChI=1S/C17H15Br3O5/c1-22-12-6-8(10(18)7-13(12)23-2)15(21)9-5-11(19)16(24-3)17(25-4)14(9)20/h5-7H,1-4H3
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n/an/a 5.80E+4n/an/an/an/an/an/a



Atatürk University



Assay Description
Carbonic anhydrase activity was assayed by following the hydration of CO2 according to our previous studies [Soyut et al., Protein Pept. Lett., 15:52...


J Enzyme Inhib Med Chem 27: 43-50 (2012)


Article DOI: 10.3109/14756366.2011.574131
BindingDB Entry DOI: 10.7270/Q2CR5S75
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50363493
PNG
(3,4,6-tribromo-5-(2,5-dibromo-3,4-dihydroxybenzyl)...)
Show SMILES Oc1c(O)c(Br)c(Cc2c(Br)c(O)c(O)c(Br)c2Br)cc1Br
Show InChI InChI=1S/C13H7Br5O4/c14-5-2-3(6(15)11(20)10(5)19)1-4-7(16)9(18)13(22)12(21)8(4)17/h2,19-22H,1H2
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n/an/a 8.64E+4n/an/an/an/an/an/a



Atatürk University



Assay Description
Carbonic anhydrase activity was assayed by following the hydration of CO2 according to our previous studies [Soyut et al., Protein Pept. Lett., 15:52...


J Enzyme Inhib Med Chem 27: 43-50 (2012)


Article DOI: 10.3109/14756366.2011.574131
BindingDB Entry DOI: 10.7270/Q2CR5S75
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM235676
PNG
((2-Bromo-4,5-dimethoxyphenyl)(2,6-dibromo-3,4-dime...)
Show SMILES COc1cc(Br)c(C(=O)c2cc(OC)c(OC)c(Br)c2Br)c(Br)c1OC
Show InChI InChI=1S/C17H14Br4O5/c1-23-9-5-7(12(19)14(21)17(9)26-4)15(22)11-8(18)6-10(24-2)16(25-3)13(11)20/h5-6H,1-4H3
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n/an/a 1.26E+5n/an/an/an/an/an/a



Atatürk University



Assay Description
Carbonic anhydrase activity was assayed by following the hydration of CO2 according to our previous studies [Soyut et al., Protein Pept. Lett., 15:52...


J Enzyme Inhib Med Chem 27: 43-50 (2012)


Article DOI: 10.3109/14756366.2011.574131
BindingDB Entry DOI: 10.7270/Q2CR5S75
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM235673
PNG
((2-bromo-3,4-dimethoxyphenyl)(3,4-dimethoxyphenyl)...)
Show SMILES COc1ccc(cc1OC)C(=O)c1ccc(OC)c(OC)c1Br
Show InChI InChI=1S/C17H17BrO5/c1-20-12-7-5-10(9-14(12)22-3)16(19)11-6-8-13(21-2)17(23-4)15(11)18/h5-9H,1-4H3
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n/an/a 3.72E+5n/an/an/an/an/an/a



Atatürk University



Assay Description
Carbonic anhydrase activity was assayed by following the hydration of CO2 according to our previous studies [Soyut et al., Protein Pept. Lett., 15:52...


J Enzyme Inhib Med Chem 27: 43-50 (2012)


Article DOI: 10.3109/14756366.2011.574131
BindingDB Entry DOI: 10.7270/Q2CR5S75
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%