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Compile Data Set for Download or QSAR

Found 14 hits Enz. Inhib. hit(s) with Target = 'β-Carbonic anhydrase (CA)'   
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
β-Carbonic anhydrase (CA)


(Saccharomyces cerevisiae (Baker's yeast))
BDBM248146
PNG
(CA standard inhibitor, 5)
Show SMILES Oc1ccc(cc1CN1CCCC1)C(=O)\C=C\c1cccnc1
Show InChI InChI=1S/C19H20N2O2/c22-18(7-5-15-4-3-9-20-13-15)16-6-8-19(23)17(12-16)14-21-10-1-2-11-21/h3-9,12-13,23H,1-2,10-11,14H2/b7-5+
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UniChem
Article
PubMed
4.90E+3 -30.3n/an/an/an/an/a7.425



Ataturk University



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalyzed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...


J Enzyme Inhib Med Chem 29: 495-9 (2014)


Article DOI: 10.3109/14756366.2013.806497
BindingDB Entry DOI: 10.7270/Q2154FZ3
More data for this
Ligand-Target Pair
β-Carbonic anhydrase (CA)


(Saccharomyces cerevisiae (Baker's yeast))
BDBM248144
PNG
(CA standard inhibitor, 3)
Show SMILES CN(C)Cc1cc(ccc1O)C(=O)\C=C\c1cccnc1
Show InChI InChI=1S/C17H18N2O2/c1-19(2)12-15-10-14(6-8-17(15)21)16(20)7-5-13-4-3-9-18-11-13/h3-11,21H,12H2,1-2H3/b7-5+
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UniChem
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PubMed
2.35E+4 -26.4n/an/an/an/an/a7.425



Ataturk University



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalyzed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...


J Enzyme Inhib Med Chem 29: 495-9 (2014)


Article DOI: 10.3109/14756366.2013.806497
BindingDB Entry DOI: 10.7270/Q2154FZ3
More data for this
Ligand-Target Pair
β-Carbonic anhydrase (CA)


(Saccharomyces cerevisiae (Baker's yeast))
BDBM248147
PNG
(CA standard inhibitor, 6)
Show SMILES Oc1ccc(cc1CN1CCCCC1)C(=O)\C=C\c1cccnc1
Show InChI InChI=1S/C20H22N2O2/c23-19(8-6-16-5-4-10-21-14-16)17-7-9-20(24)18(13-17)15-22-11-2-1-3-12-22/h4-10,13-14,24H,1-3,11-12,15H2/b8-6+
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UniChem
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PubMed
6.50E+4 -23.9n/an/an/an/an/a7.425



Ataturk University



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalyzed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...


J Enzyme Inhib Med Chem 29: 495-9 (2014)


Article DOI: 10.3109/14756366.2013.806497
BindingDB Entry DOI: 10.7270/Q2154FZ3
More data for this
Ligand-Target Pair
β-Carbonic anhydrase (CA)


(Saccharomyces cerevisiae (Baker's yeast))
BDBM248143
PNG
(CA standard inhibitor, 2)
Show SMILES Oc1ccc(cc1)C(=O)\C=C\c1ccccn1
Show InChI InChI=1S/C14H11NO2/c16-13-7-4-11(5-8-13)14(17)9-6-12-3-1-2-10-15-12/h1-10,16H/b9-6+
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UniChem
Article
PubMed
6.58E+4 -23.9n/an/an/an/an/a7.425



Ataturk University



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalyzed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...


J Enzyme Inhib Med Chem 29: 495-9 (2014)


Article DOI: 10.3109/14756366.2013.806497
BindingDB Entry DOI: 10.7270/Q2154FZ3
More data for this
Ligand-Target Pair
β-Carbonic anhydrase (CA)


(Saccharomyces cerevisiae (Baker's yeast))
BDBM50607
PNG
((E)-1-(4-Hydroxy-phenyl)-3-pyridin-3-yl-propenone ...)
Show SMILES Oc1ccc(cc1)C(=O)\C=C\c1cccnc1
Show InChI InChI=1S/C14H11NO2/c16-13-6-4-12(5-7-13)14(17)8-3-11-2-1-9-15-10-11/h1-10,16H/b8-3+
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PubMed
7.65E+4 -23.5n/an/an/an/an/a7.425



Ataturk University



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalyzed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...


J Enzyme Inhib Med Chem 29: 495-9 (2014)


Article DOI: 10.3109/14756366.2013.806497
BindingDB Entry DOI: 10.7270/Q2154FZ3
More data for this
Ligand-Target Pair
β-Carbonic anhydrase (CA)


(Saccharomyces cerevisiae (Baker's yeast))
BDBM248148
PNG
(CA standard inhibitor, 7)
Show SMILES CNCCNCc1cc(ccc1O)C(=O)\C=C\c1cccnc1
Show InChI InChI=1S/C18H21N3O2/c1-19-9-10-21-13-16-11-15(5-7-18(16)23)17(22)6-4-14-3-2-8-20-12-14/h2-8,11-12,19,21,23H,9-10,13H2,1H3/b6-4+
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7.65E+4 -23.5n/an/an/an/an/a7.425



Ataturk University



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalyzed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...


J Enzyme Inhib Med Chem 29: 495-9 (2014)


Article DOI: 10.3109/14756366.2013.806497
BindingDB Entry DOI: 10.7270/Q2154FZ3
More data for this
Ligand-Target Pair
β-Carbonic anhydrase (CA)


(Saccharomyces cerevisiae (Baker's yeast))
BDBM248145
PNG
(CA standard inhibitor, 4)
Show SMILES CCN(CC)Cc1cc(ccc1O)C(=O)\C=C\c1cccnc1
Show InChI InChI=1S/C19H22N2O2/c1-3-21(4-2)14-17-12-16(8-10-19(17)23)18(22)9-7-15-6-5-11-20-13-15/h5-13,23H,3-4,14H2,1-2H3/b9-7+
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UniChem
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PubMed
7.71E+4 -23.5n/an/an/an/an/a7.425



Ataturk University



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalyzed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...


J Enzyme Inhib Med Chem 29: 495-9 (2014)


Article DOI: 10.3109/14756366.2013.806497
BindingDB Entry DOI: 10.7270/Q2154FZ3
More data for this
Ligand-Target Pair
β-Carbonic anhydrase (CA)


(Saccharomyces cerevisiae (Baker's yeast))
BDBM248152
PNG
(CA standard inhibitor, 11)
Show SMILES Oc1ccc(cc1CN1CCCCC1)C(=O)\C=C\c1ccccn1
Show InChI InChI=1S/C20H22N2O2/c23-19(10-8-18-6-2-3-11-21-18)16-7-9-20(24)17(14-16)15-22-12-4-1-5-13-22/h2-3,6-11,14,24H,1,4-5,12-13,15H2/b10-8+
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7.91E+4 -23.4n/an/an/an/an/a7.425



Ataturk University



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalyzed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...


J Enzyme Inhib Med Chem 29: 495-9 (2014)


Article DOI: 10.3109/14756366.2013.806497
BindingDB Entry DOI: 10.7270/Q2154FZ3
More data for this
Ligand-Target Pair
β-Carbonic anhydrase (CA)


(Saccharomyces cerevisiae (Baker's yeast))
BDBM248153
PNG
(CA standard inhibitor, 12)
Show SMILES CNCCNCc1cc(ccc1O)C(=O)\C=C\c1ccccn1
Show InChI InChI=1S/C18H21N3O2/c1-19-10-11-20-13-15-12-14(5-7-18(15)23)17(22)8-6-16-4-2-3-9-21-16/h2-9,12,19-20,23H,10-11,13H2,1H3/b8-6+
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7.95E+4 -23.4n/an/an/an/an/a7.425



Ataturk University



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalyzed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...


J Enzyme Inhib Med Chem 29: 495-9 (2014)


Article DOI: 10.3109/14756366.2013.806497
BindingDB Entry DOI: 10.7270/Q2154FZ3
More data for this
Ligand-Target Pair
β-Carbonic anhydrase (CA)


(Saccharomyces cerevisiae (Baker's yeast))
BDBM248150
PNG
(CA standard inhibitor, 9)
Show SMILES CCN(CC)Cc1cc(ccc1O)C(=O)\C=C\c1ccccn1
Show InChI InChI=1S/C19H22N2O2/c1-3-21(4-2)14-16-13-15(8-10-19(16)23)18(22)11-9-17-7-5-6-12-20-17/h5-13,23H,3-4,14H2,1-2H3/b11-9+
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8.19E+4 -23.3n/an/an/an/an/a7.425



Ataturk University



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalyzed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...


J Enzyme Inhib Med Chem 29: 495-9 (2014)


Article DOI: 10.3109/14756366.2013.806497
BindingDB Entry DOI: 10.7270/Q2154FZ3
More data for this
Ligand-Target Pair
β-Carbonic anhydrase (CA)


(Saccharomyces cerevisiae (Baker's yeast))
BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
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PubMed
8.26E+4 -23.3n/an/an/an/an/a7.425



Ataturk University



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalyzed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...


J Enzyme Inhib Med Chem 29: 495-9 (2014)


Article DOI: 10.3109/14756366.2013.806497
BindingDB Entry DOI: 10.7270/Q2154FZ3
More data for this
Ligand-Target Pair
β-Carbonic anhydrase (CA)


(Saccharomyces cerevisiae (Baker's yeast))
BDBM248151
PNG
(CA standard inhibitor, 10)
Show SMILES Oc1ccc(cc1CN1CCCC1)C(=O)\C=C\c1ccccn1
Show InChI InChI=1S/C19H20N2O2/c22-18(9-7-17-5-1-2-10-20-17)15-6-8-19(23)16(13-15)14-21-11-3-4-12-21/h1-2,5-10,13,23H,3-4,11-12,14H2/b9-7+
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Article
PubMed
8.58E+4 -23.2n/an/an/an/an/a7.425



Ataturk University



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalyzed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...


J Enzyme Inhib Med Chem 29: 495-9 (2014)


Article DOI: 10.3109/14756366.2013.806497
BindingDB Entry DOI: 10.7270/Q2154FZ3
More data for this
Ligand-Target Pair
β-Carbonic anhydrase (CA)


(Saccharomyces cerevisiae (Baker's yeast))
BDBM248149
PNG
(CA standard inhibitor, 8)
Show SMILES CN(C)Cc1cc(ccc1O)C(=O)\C=C\c1ccccn1
Show InChI InChI=1S/C17H18N2O2/c1-19(2)12-14-11-13(6-8-17(14)21)16(20)9-7-15-5-3-4-10-18-15/h3-11,21H,12H2,1-2H3/b9-7+
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PubMed
9.01E+4 -23.1n/an/an/an/an/a7.425



Ataturk University



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalyzed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...


J Enzyme Inhib Med Chem 29: 495-9 (2014)


Article DOI: 10.3109/14756366.2013.806497
BindingDB Entry DOI: 10.7270/Q2154FZ3
More data for this
Ligand-Target Pair
β-Carbonic anhydrase (CA)


(Saccharomyces cerevisiae (Baker's yeast))
BDBM248154
PNG
(CA standard inhibitor, 13)
Show SMILES OCCNCc1cc(ccc1O)C(=O)\C=C\c1ccccn1
Show InChI InChI=1S/C17H18N2O3/c20-10-9-18-12-14-11-13(4-6-17(14)22)16(21)7-5-15-3-1-2-8-19-15/h1-8,11,18,20,22H,9-10,12H2/b7-5+
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9.54E+4 -22.9n/an/an/an/an/a7.425



Ataturk University



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalyzed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...


J Enzyme Inhib Med Chem 29: 495-9 (2014)


Article DOI: 10.3109/14756366.2013.806497
BindingDB Entry DOI: 10.7270/Q2154FZ3
More data for this
Ligand-Target Pair