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Compile Data Set for Download or QSAR

Found 12 hits with Last Name = 'gonca yalçin' and Initial = 'h'   
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))
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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n/an/a 3.80E+3n/an/an/an/an/an/a



Dumlupinar University



Assay Description
The method for determination of Ki values is described elsewhere [Landolfi et al., J. Pharmacol. Toxicol. Methods, 38:169-172; Bülbül et al., J. Enzy...


J Enzyme Inhib Med Chem 28: 337-42 (2013)


Article DOI: 10.3109/14756366.2012.693919
BindingDB Entry DOI: 10.7270/Q2KW5DZ8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (Human))
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
n/an/a 4.30E+3n/an/an/an/a7.425



Dumlupinar University



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


J Enzyme Inhib Med Chem 28: 337-42 (2013)


Article DOI: 10.3109/14756366.2012.693919
BindingDB Entry DOI: 10.7270/Q2KW5DZ8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 1


(Homo sapiens (Human))
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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n/an/a 5.55E+3n/an/an/an/an/an/a



Dumlupinar University



Assay Description
The method for determination of Ki values is described elsewhere [Landolfi et al., J. Pharmacol. Toxicol. Methods, 38:169-172; Bülbül et al., J. Enzy...


J Enzyme Inhib Med Chem 28: 337-42 (2013)


Article DOI: 10.3109/14756366.2012.693919
BindingDB Entry DOI: 10.7270/Q2KW5DZ8
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
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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n/an/a 5.90E+3n/an/an/an/a7.425



Dumlupinar University



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


J Enzyme Inhib Med Chem 28: 337-42 (2013)


Article DOI: 10.3109/14756366.2012.693919
BindingDB Entry DOI: 10.7270/Q2KW5DZ8
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM238310
PNG
(2-((dimethylamino)methyl)-4,5-dimethylphenol (2a))
Show SMILES CN(C)Cc1cc(C)c(C)cc1O
Show InChI InChI=1S/C11H17NO/c1-8-5-10(7-12(3)4)11(13)6-9(8)2/h5-6,13H,7H2,1-4H3
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n/an/a 6.95E+3n/an/an/an/an/an/a



Dumlupinar University



Assay Description
The method for determination of Ki values is described elsewhere [Landolfi et al., J. Pharmacol. Toxicol. Methods, 38:169-172; Bülbül et al., J. Enzy...


J Enzyme Inhib Med Chem 28: 337-42 (2013)


Article DOI: 10.3109/14756366.2012.693919
BindingDB Entry DOI: 10.7270/Q2KW5DZ8
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM238309
PNG
(3,4-Dimethylphenol (1))
Show SMILES Cc1ccc(O)cc1C
Show InChI InChI=1S/C8H10O/c1-6-3-4-8(9)5-7(6)2/h3-5,9H,1-2H3
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n/an/a 4.13E+4n/an/an/an/an/an/a



Dumlupinar University



Assay Description
The method for determination of Ki values is described elsewhere [Landolfi et al., J. Pharmacol. Toxicol. Methods, 38:169-172; Bülbül et al., J. Enzy...


J Enzyme Inhib Med Chem 28: 337-42 (2013)


Article DOI: 10.3109/14756366.2012.693919
BindingDB Entry DOI: 10.7270/Q2KW5DZ8
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM238309
PNG
(3,4-Dimethylphenol (1))
Show SMILES Cc1ccc(O)cc1C
Show InChI InChI=1S/C8H10O/c1-6-3-4-8(9)5-7(6)2/h3-5,9H,1-2H3
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n/an/a 4.91E+4n/an/an/an/an/an/a



Dumlupinar University



Assay Description
The method for determination of Ki values is described elsewhere [Landolfi et al., J. Pharmacol. Toxicol. Methods, 38:169-172; Bülbül et al., J. Enzy...


J Enzyme Inhib Med Chem 28: 337-42 (2013)


Article DOI: 10.3109/14756366.2012.693919
BindingDB Entry DOI: 10.7270/Q2KW5DZ8
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM238311
PNG
(2-((dibenzylamino)methyl)-4,5-dimethylphenol (2e))
Show SMILES Cc1cc(O)c(CN(Cc2ccccc2)Cc2ccccc2)cc1C
Show InChI InChI=1S/C23H25NO/c1-18-13-22(23(25)14-19(18)2)17-24(15-20-9-5-3-6-10-20)16-21-11-7-4-8-12-21/h3-14,25H,15-17H2,1-2H3
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n/an/a 5.77E+4n/an/an/an/an/an/a



Dumlupinar University



Assay Description
The method for determination of Ki values is described elsewhere [Landolfi et al., J. Pharmacol. Toxicol. Methods, 38:169-172; Bülbül et al., J. Enzy...


J Enzyme Inhib Med Chem 28: 337-42 (2013)


Article DOI: 10.3109/14756366.2012.693919
BindingDB Entry DOI: 10.7270/Q2KW5DZ8
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM238311
PNG
(2-((dibenzylamino)methyl)-4,5-dimethylphenol (2e))
Show SMILES Cc1cc(O)c(CN(Cc2ccccc2)Cc2ccccc2)cc1C
Show InChI InChI=1S/C23H25NO/c1-18-13-22(23(25)14-19(18)2)17-24(15-20-9-5-3-6-10-20)16-21-11-7-4-8-12-21/h3-14,25H,15-17H2,1-2H3
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n/an/a 4.40E+5n/an/an/an/a7.425



Dumlupinar University



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


J Enzyme Inhib Med Chem 28: 337-42 (2013)


Article DOI: 10.3109/14756366.2012.693919
BindingDB Entry DOI: 10.7270/Q2KW5DZ8
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM238310
PNG
(2-((dimethylamino)methyl)-4,5-dimethylphenol (2a))
Show SMILES CN(C)Cc1cc(C)c(C)cc1O
Show InChI InChI=1S/C11H17NO/c1-8-5-10(7-12(3)4)11(13)6-9(8)2/h5-6,13H,7H2,1-4H3
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n/an/a 8.80E+5n/an/an/an/a7.425



Dumlupinar University



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


J Enzyme Inhib Med Chem 28: 337-42 (2013)


Article DOI: 10.3109/14756366.2012.693919
BindingDB Entry DOI: 10.7270/Q2KW5DZ8
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM238309
PNG
(3,4-Dimethylphenol (1))
Show SMILES Cc1ccc(O)cc1C
Show InChI InChI=1S/C8H10O/c1-6-3-4-8(9)5-7(6)2/h3-5,9H,1-2H3
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n/an/a 9.30E+5n/an/an/an/a7.425



Dumlupinar University



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


J Enzyme Inhib Med Chem 28: 337-42 (2013)


Article DOI: 10.3109/14756366.2012.693919
BindingDB Entry DOI: 10.7270/Q2KW5DZ8
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM238309
PNG
(3,4-Dimethylphenol (1))
Show SMILES Cc1ccc(O)cc1C
Show InChI InChI=1S/C8H10O/c1-6-3-4-8(9)5-7(6)2/h3-5,9H,1-2H3
PDB
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n/an/a 1.03E+6n/an/an/an/a7.425



Dumlupinar University



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


J Enzyme Inhib Med Chem 28: 337-42 (2013)


Article DOI: 10.3109/14756366.2012.693919
BindingDB Entry DOI: 10.7270/Q2KW5DZ8
More data for this
Ligand-Target Pair