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PubMed code 22050606

Compile data set for download or QSAR
Found 36 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 6


(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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 340n/an/an/an/an/an/a7.4n/a



Dumlupinar University



Assay Description
CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25°C using a spect...

J Enzyme Inhib Med Chem 27: 148-54 (2012)


Article DOI: 10.3109/14756366.2011.629198
BindingDB Entry DOI: 10.7270/Q2M907JC
More data for this
Ligand-Target Pair
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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 370n/an/an/an/an/an/a7.4n/a



Dumlupinar University



Assay Description
CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25°C using a spect...

J Enzyme Inhib Med Chem 27: 148-54 (2012)


Article DOI: 10.3109/14756366.2011.629198
BindingDB Entry DOI: 10.7270/Q2M907JC
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM235706
PNG
(trans-(1R(S),6R(S))-6-Hydroxycyclohex-3-enyl hydro...)
Show SMILES O[C@@H]1CC=CC[C@H]1OS(O)(=O)=O |r,c:3|
Show InChI InChI=1S/C6H10O5S/c7-5-3-1-2-4-6(5)11-12(8,9)10/h1-2,5-7H,3-4H2,(H,8,9,10)/t5-,6-/m1/s1
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 2.13E+3n/an/an/an/an/an/a7.4n/a



Dumlupinar University



Assay Description
CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25°C using a spect...

J Enzyme Inhib Med Chem 27: 148-54 (2012)


Article DOI: 10.3109/14756366.2011.629198
BindingDB Entry DOI: 10.7270/Q2M907JC
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM235707
PNG
((1R,2R)-cyclohexane-1,2-diol (5))
Show SMILES O[C@@H]1CC=CC[C@H]1O |r,c:3|
Show InChI InChI=1S/C6H10O2/c7-5-3-1-2-4-6(5)8/h1-2,5-8H,3-4H2/t5-,6-/m1/s1
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 4.08E+3n/an/an/an/an/an/a7.4n/a



Dumlupinar University



Assay Description
CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25°C using a spect...

J Enzyme Inhib Med Chem 27: 148-54 (2012)


Article DOI: 10.3109/14756366.2011.629198
BindingDB Entry DOI: 10.7270/Q2M907JC
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM36071
PNG
((1R,2R)-trans-1,2-cyclohexanediol | trans-(1R(S),2...)
Show SMILES O[C@@H]1CCCC[C@H]1O
Show InChI InChI=1S/C6H12O2/c7-5-3-1-2-4-6(5)8/h5-8H,1-4H2/t5-,6-/m1/s1
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 4.68E+3n/an/an/an/an/an/a7.4n/a



Dumlupinar University



Assay Description
CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25°C using a spect...

J Enzyme Inhib Med Chem 27: 148-54 (2012)


Article DOI: 10.3109/14756366.2011.629198
BindingDB Entry DOI: 10.7270/Q2M907JC
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM235708
PNG
(trans-(1R(S),8R(S),Z)-8-Hydroxycyclooct-4-enyl hyd...)
Show SMILES O[C@@H]1CC\C=C/CC[C@H]1OS(O)(=O)=O |r,c:4|
Show InChI InChI=1S/C8H14O5S/c9-7-5-3-1-2-4-6-8(7)13-14(10,11)12/h1-2,7-9H,3-6H2,(H,10,11,12)/b2-1-/t7-,8-/m1/s1
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 5.41E+3n/an/an/an/an/an/a7.4n/a



Dumlupinar University



Assay Description
CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25°C using a spect...

J Enzyme Inhib Med Chem 27: 148-54 (2012)


Article DOI: 10.3109/14756366.2011.629198
BindingDB Entry DOI: 10.7270/Q2M907JC
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(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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 5.64E+3n/an/an/an/an/an/a7.4n/a



Dumlupinar University



Assay Description
CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25°C using a spect...

J Enzyme Inhib Med Chem 27: 148-54 (2012)


Article DOI: 10.3109/14756366.2011.629198
BindingDB Entry DOI: 10.7270/Q2M907JC
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM235709
PNG
((2R,3R)-1,2,3,4-tetrahydronaphthalene-2,3-diol (7))
Show SMILES O[C@@H]1CC\C=C/CC[C@H]1O |r,c:4|
Show InChI InChI=1S/C8H14O2/c9-7-5-3-1-2-4-6-8(7)10/h1-2,7-10H,3-6H2/b2-1-/t7-,8-/m1/s1
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 8.27E+3n/an/an/an/an/an/a7.4n/a



Dumlupinar University



Assay Description
CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25°C using a spect...

J Enzyme Inhib Med Chem 27: 148-54 (2012)


Article DOI: 10.3109/14756366.2011.629198
BindingDB Entry DOI: 10.7270/Q2M907JC
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM235710
PNG
(9(R(S))-Hydroxy-1,2,3,4-tetrahydro-1,4-methanonaph...)
Show SMILES O[C@@H]1C2C[C@H](OS(O)(=O)=O)C1c1ccccc21 |r,TLB:12:11:4.3:1,5:4:16.11:1,0:1:16.11:4.3|
Show InChI InChI=1S/C11H12O5S/c12-11-8-5-9(16-17(13,14)15)10(11)7-4-2-1-3-6(7)8/h1-4,8-12H,5H2,(H,13,14,15)/t8?,9-,10?,11+/m0/s1
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 1.04E+4n/an/an/an/an/an/a7.4n/a



Dumlupinar University



Assay Description
CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25°C using a spect...

J Enzyme Inhib Med Chem 27: 148-54 (2012)


Article DOI: 10.3109/14756366.2011.629198
BindingDB Entry DOI: 10.7270/Q2M907JC
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))		BDBM235706
PNG
(trans-(1R(S),6R(S))-6-Hydroxycyclohex-3-enyl hydro...)
Show SMILES O[C@@H]1CC=CC[C@H]1OS(O)(=O)=O |r,c:3|
Show InChI InChI=1S/C6H10O5S/c7-5-3-1-2-4-6(5)11-12(8,9)10/h1-2,5-7H,3-4H2,(H,8,9,10)/t5-,6-/m1/s1
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 1.37E+4n/an/an/an/an/an/a7.4n/a



Dumlupinar University



Assay Description
CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25°C using a spect...

J Enzyme Inhib Med Chem 27: 148-54 (2012)


Article DOI: 10.3109/14756366.2011.629198
BindingDB Entry DOI: 10.7270/Q2M907JC
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))		BDBM235708
PNG
(trans-(1R(S),8R(S),Z)-8-Hydroxycyclooct-4-enyl hyd...)
Show SMILES O[C@@H]1CC\C=C/CC[C@H]1OS(O)(=O)=O |r,c:4|
Show InChI InChI=1S/C8H14O5S/c9-7-5-3-1-2-4-6-8(7)13-14(10,11)12/h1-2,7-9H,3-6H2,(H,10,11,12)/b2-1-/t7-,8-/m1/s1
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 1.63E+4n/an/an/an/an/an/a7.4n/a



Dumlupinar University



Assay Description
CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25°C using a spect...

J Enzyme Inhib Med Chem 27: 148-54 (2012)


Article DOI: 10.3109/14756366.2011.629198
BindingDB Entry DOI: 10.7270/Q2M907JC
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))		BDBM36071
PNG
((1R,2R)-trans-1,2-cyclohexanediol | trans-(1R(S),2...)
Show SMILES O[C@@H]1CCCC[C@H]1O
Show InChI InChI=1S/C6H12O2/c7-5-3-1-2-4-6(5)8/h5-8H,1-4H2/t5-,6-/m1/s1
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 1.88E+4n/an/an/an/an/an/a7.4n/a



Dumlupinar University



Assay Description
CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25°C using a spect...

J Enzyme Inhib Med Chem 27: 148-54 (2012)


Article DOI: 10.3109/14756366.2011.629198
BindingDB Entry DOI: 10.7270/Q2M907JC
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))		BDBM235707
PNG
((1R,2R)-cyclohexane-1,2-diol (5))
Show SMILES O[C@@H]1CC=CC[C@H]1O |r,c:3|
Show InChI InChI=1S/C6H10O2/c7-5-3-1-2-4-6(5)8/h1-2,5-8H,3-4H2/t5-,6-/m1/s1
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 2.36E+4n/an/an/an/an/an/a7.4n/a



Dumlupinar University



Assay Description
CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25°C using a spect...

J Enzyme Inhib Med Chem 27: 148-54 (2012)


Article DOI: 10.3109/14756366.2011.629198
BindingDB Entry DOI: 10.7270/Q2M907JC
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM235711
PNG
(9(R(S))-Hydroxy-1,2,3,4-tetrahydro-1,4-methanonaph...)
Show SMILES O[C@H]1CC2[C@@H](O)C1c1ccccc21 |r,TLB:0:1:12.7:4,5:4:12.7:1.2,THB:8:7:1.2:4|
Show InChI InChI=1S/C11H12O2/c12-9-5-8-6-3-1-2-4-7(6)10(9)11(8)13/h1-4,8-13H,5H2/t8?,9-,10?,11+/m0/s1
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 2.37E+4n/an/an/an/an/an/a7.4n/a



Dumlupinar University



Assay Description
CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25°C using a spect...

J Enzyme Inhib Med Chem 27: 148-54 (2012)


Article DOI: 10.3109/14756366.2011.629198
BindingDB Entry DOI: 10.7270/Q2M907JC
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM235712
PNG
(trans-(2R(S),3R(S))-1,2,3,4-Tetrahydronaphthalene-...)
Show SMILES O[C@@H]1Cc2ccccc2C[C@H]1O |r|
Show InChI InChI=1S/C10H12O2/c11-9-5-7-3-1-2-4-8(7)6-10(9)12/h1-4,9-12H,5-6H2/t9-,10-/m1/s1
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 3.24E+4n/an/an/an/an/an/a7.4n/a



Dumlupinar University



Assay Description
CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25°C using a spect...

J Enzyme Inhib Med Chem 27: 148-54 (2012)


Article DOI: 10.3109/14756366.2011.629198
BindingDB Entry DOI: 10.7270/Q2M907JC
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))		BDBM235710
PNG
(9(R(S))-Hydroxy-1,2,3,4-tetrahydro-1,4-methanonaph...)
Show SMILES O[C@@H]1C2C[C@H](OS(O)(=O)=O)C1c1ccccc21 |r,TLB:12:11:4.3:1,5:4:16.11:1,0:1:16.11:4.3|
Show InChI InChI=1S/C11H12O5S/c12-11-8-5-9(16-17(13,14)15)10(11)7-4-2-1-3-6(7)8/h1-4,8-12H,5H2,(H,13,14,15)/t8?,9-,10?,11+/m0/s1
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 3.27E+4n/an/an/an/an/an/a7.4n/a



Dumlupinar University



Assay Description
CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25°C using a spect...

J Enzyme Inhib Med Chem 27: 148-54 (2012)


Article DOI: 10.3109/14756366.2011.629198
BindingDB Entry DOI: 10.7270/Q2M907JC
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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 3.62E+4n/an/an/an/an/an/a7.4n/a



Dumlupinar University



Assay Description
CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25°C using a spect...

J Enzyme Inhib Med Chem 27: 148-54 (2012)


Article DOI: 10.3109/14756366.2011.629198
BindingDB Entry DOI: 10.7270/Q2M907JC
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Carbonic anhydrase 1


(Homo sapiens (Human))		BDBM235706
PNG
(trans-(1R(S),6R(S))-6-Hydroxycyclohex-3-enyl hydro...)
Show SMILES O[C@@H]1CC=CC[C@H]1OS(O)(=O)=O |r,c:3|
Show InChI InChI=1S/C6H10O5S/c7-5-3-1-2-4-6(5)11-12(8,9)10/h1-2,5-7H,3-4H2,(H,8,9,10)/t5-,6-/m1/s1
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 4.13E+4n/an/an/an/an/an/a7.4n/a



Dumlupinar University



Assay Description
CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25°C using a spect...

J Enzyme Inhib Med Chem 27: 148-54 (2012)


Article DOI: 10.3109/14756366.2011.629198
BindingDB Entry DOI: 10.7270/Q2M907JC
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))		BDBM235709
PNG
((2R,3R)-1,2,3,4-tetrahydronaphthalene-2,3-diol (7))
Show SMILES O[C@@H]1CC\C=C/CC[C@H]1O |r,c:4|
Show InChI InChI=1S/C8H14O2/c9-7-5-3-1-2-4-6-8(7)10/h1-2,7-10H,3-6H2/b2-1-/t7-,8-/m1/s1
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 5.38E+4n/an/an/an/an/an/a7.4n/a



Dumlupinar University



Assay Description
CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25°C using a spect...

J Enzyme Inhib Med Chem 27: 148-54 (2012)


Article DOI: 10.3109/14756366.2011.629198
BindingDB Entry DOI: 10.7270/Q2M907JC
More data for this
Ligand-Target Pair
Carbonic anhydrase 6


(Homo sapiens (Human))		BDBM36071
PNG
((1R,2R)-trans-1,2-cyclohexanediol | trans-(1R(S),2...)
Show SMILES O[C@@H]1CCCC[C@H]1O
Show InChI InChI=1S/C6H12O2/c7-5-3-1-2-4-6(5)8/h5-8H,1-4H2/t5-,6-/m1/s1
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 7.62E+4n/an/an/an/an/an/a7.4n/a



Dumlupinar University



Assay Description
CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25°C using a spect...

J Enzyme Inhib Med Chem 27: 148-54 (2012)


Article DOI: 10.3109/14756366.2011.629198
BindingDB Entry DOI: 10.7270/Q2M907JC
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))		BDBM235708
PNG
(trans-(1R(S),8R(S),Z)-8-Hydroxycyclooct-4-enyl hyd...)
Show SMILES O[C@@H]1CC\C=C/CC[C@H]1OS(O)(=O)=O |r,c:4|
Show InChI InChI=1S/C8H14O5S/c9-7-5-3-1-2-4-6-8(7)13-14(10,11)12/h1-2,7-9H,3-6H2,(H,10,11,12)/b2-1-/t7-,8-/m1/s1
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 7.72E+4n/an/an/an/an/an/a7.4n/a



Dumlupinar University



Assay Description
CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25°C using a spect...

J Enzyme Inhib Med Chem 27: 148-54 (2012)


Article DOI: 10.3109/14756366.2011.629198
BindingDB Entry DOI: 10.7270/Q2M907JC
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))		BDBM235712
PNG
(trans-(2R(S),3R(S))-1,2,3,4-Tetrahydronaphthalene-...)
Show SMILES O[C@@H]1Cc2ccccc2C[C@H]1O |r|
Show InChI InChI=1S/C10H12O2/c11-9-5-7-3-1-2-4-8(7)6-10(9)12/h1-4,9-12H,5-6H2/t9-,10-/m1/s1
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 7.79E+4n/an/an/an/an/an/a7.4n/a



Dumlupinar University



Assay Description
CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25°C using a spect...

J Enzyme Inhib Med Chem 27: 148-54 (2012)


Article DOI: 10.3109/14756366.2011.629198
BindingDB Entry DOI: 10.7270/Q2M907JC
More data for this
Ligand-Target Pair
Carbonic anhydrase 6


(Homo sapiens (Human))		BDBM235706
PNG
(trans-(1R(S),6R(S))-6-Hydroxycyclohex-3-enyl hydro...)
Show SMILES O[C@@H]1CC=CC[C@H]1OS(O)(=O)=O |r,c:3|
Show InChI InChI=1S/C6H10O5S/c7-5-3-1-2-4-6(5)11-12(8,9)10/h1-2,5-7H,3-4H2,(H,8,9,10)/t5-,6-/m1/s1
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 9.31E+4n/an/an/an/an/an/a7.4n/a



Dumlupinar University



Assay Description
CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25°C using a spect...

J Enzyme Inhib Med Chem 27: 148-54 (2012)


Article DOI: 10.3109/14756366.2011.629198
BindingDB Entry DOI: 10.7270/Q2M907JC
More data for this
Ligand-Target Pair
Carbonic anhydrase 6


(Homo sapiens (Human))		BDBM235707
PNG
((1R,2R)-cyclohexane-1,2-diol (5))
Show SMILES O[C@@H]1CC=CC[C@H]1O |r,c:3|
Show InChI InChI=1S/C6H10O2/c7-5-3-1-2-4-6(5)8/h1-2,5-8H,3-4H2/t5-,6-/m1/s1
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 1.16E+5n/an/an/an/an/an/a7.4n/a



Dumlupinar University



Assay Description
CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25°C using a spect...

J Enzyme Inhib Med Chem 27: 148-54 (2012)


Article DOI: 10.3109/14756366.2011.629198
BindingDB Entry DOI: 10.7270/Q2M907JC
More data for this
Ligand-Target Pair
Carbonic anhydrase 6


(Homo sapiens (Human))		BDBM235708
PNG
(trans-(1R(S),8R(S),Z)-8-Hydroxycyclooct-4-enyl hyd...)
Show SMILES O[C@@H]1CC\C=C/CC[C@H]1OS(O)(=O)=O |r,c:4|
Show InChI InChI=1S/C8H14O5S/c9-7-5-3-1-2-4-6-8(7)13-14(10,11)12/h1-2,7-9H,3-6H2,(H,10,11,12)/b2-1-/t7-,8-/m1/s1
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 1.23E+5n/an/an/an/an/an/a7.4n/a



Dumlupinar University



Assay Description
CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25°C using a spect...

J Enzyme Inhib Med Chem 27: 148-54 (2012)


Article DOI: 10.3109/14756366.2011.629198
BindingDB Entry DOI: 10.7270/Q2M907JC
More data for this
Ligand-Target Pair
Carbonic anhydrase 6


(Homo sapiens (Human))		BDBM235712
PNG
(trans-(2R(S),3R(S))-1,2,3,4-Tetrahydronaphthalene-...)
Show SMILES O[C@@H]1Cc2ccccc2C[C@H]1O |r|
Show InChI InChI=1S/C10H12O2/c11-9-5-7-3-1-2-4-8(7)6-10(9)12/h1-4,9-12H,5-6H2/t9-,10-/m1/s1
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 1.27E+5n/an/an/an/an/an/a7.4n/a



Dumlupinar University



Assay Description
CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25°C using a spect...

J Enzyme Inhib Med Chem 27: 148-54 (2012)


Article DOI: 10.3109/14756366.2011.629198
BindingDB Entry DOI: 10.7270/Q2M907JC
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))		BDBM36071
PNG
((1R,2R)-trans-1,2-cyclohexanediol | trans-(1R(S),2...)
Show SMILES O[C@@H]1CCCC[C@H]1O
Show InChI InChI=1S/C6H12O2/c7-5-3-1-2-4-6(5)8/h5-8H,1-4H2/t5-,6-/m1/s1
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 1.35E+5n/an/an/an/an/an/a7.4n/a



Dumlupinar University



Assay Description
CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25°C using a spect...

J Enzyme Inhib Med Chem 27: 148-54 (2012)


Article DOI: 10.3109/14756366.2011.629198
BindingDB Entry DOI: 10.7270/Q2M907JC
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))		BDBM235711
PNG
(9(R(S))-Hydroxy-1,2,3,4-tetrahydro-1,4-methanonaph...)
Show SMILES O[C@H]1CC2[C@@H](O)C1c1ccccc21 |r,TLB:0:1:12.7:4,5:4:12.7:1.2,THB:8:7:1.2:4|
Show InChI InChI=1S/C11H12O2/c12-9-5-8-6-3-1-2-4-7(6)10(9)11(8)13/h1-4,8-13H,5H2/t8?,9-,10?,11+/m0/s1
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 1.42E+5n/an/an/an/an/an/a7.4n/a



Dumlupinar University



Assay Description
CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25°C using a spect...

J Enzyme Inhib Med Chem 27: 148-54 (2012)


Article DOI: 10.3109/14756366.2011.629198
BindingDB Entry DOI: 10.7270/Q2M907JC
More data for this
Ligand-Target Pair
Carbonic anhydrase 6


(Homo sapiens (Human))		BDBM235709
PNG
((2R,3R)-1,2,3,4-tetrahydronaphthalene-2,3-diol (7))
Show SMILES O[C@@H]1CC\C=C/CC[C@H]1O |r,c:4|
Show InChI InChI=1S/C8H14O2/c9-7-5-3-1-2-4-6-8(7)10/h1-2,7-10H,3-6H2/b2-1-/t7-,8-/m1/s1
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 1.45E+5n/an/an/an/an/an/a7.4n/a



Dumlupinar University



Assay Description
CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25°C using a spect...

J Enzyme Inhib Med Chem 27: 148-54 (2012)


Article DOI: 10.3109/14756366.2011.629198
BindingDB Entry DOI: 10.7270/Q2M907JC
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))		BDBM235707
PNG
((1R,2R)-cyclohexane-1,2-diol (5))
Show SMILES O[C@@H]1CC=CC[C@H]1O |r,c:3|
Show InChI InChI=1S/C6H10O2/c7-5-3-1-2-4-6(5)8/h1-2,5-8H,3-4H2/t5-,6-/m1/s1
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 1.63E+5n/an/an/an/an/an/a7.4n/a



Dumlupinar University



Assay Description
CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25°C using a spect...

J Enzyme Inhib Med Chem 27: 148-54 (2012)


Article DOI: 10.3109/14756366.2011.629198
BindingDB Entry DOI: 10.7270/Q2M907JC
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))		BDBM235709
PNG
((2R,3R)-1,2,3,4-tetrahydronaphthalene-2,3-diol (7))
Show SMILES O[C@@H]1CC\C=C/CC[C@H]1O |r,c:4|
Show InChI InChI=1S/C8H14O2/c9-7-5-3-1-2-4-6-8(7)10/h1-2,7-10H,3-6H2/b2-1-/t7-,8-/m1/s1
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 1.88E+5n/an/an/an/an/an/a7.4n/a



Dumlupinar University



Assay Description
CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25°C using a spect...

J Enzyme Inhib Med Chem 27: 148-54 (2012)


Article DOI: 10.3109/14756366.2011.629198
BindingDB Entry DOI: 10.7270/Q2M907JC
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))		BDBM235710
PNG
(9(R(S))-Hydroxy-1,2,3,4-tetrahydro-1,4-methanonaph...)
Show SMILES O[C@@H]1C2C[C@H](OS(O)(=O)=O)C1c1ccccc21 |r,TLB:12:11:4.3:1,5:4:16.11:1,0:1:16.11:4.3|
Show InChI InChI=1S/C11H12O5S/c12-11-8-5-9(16-17(13,14)15)10(11)7-4-2-1-3-6(7)8/h1-4,8-12H,5H2,(H,13,14,15)/t8?,9-,10?,11+/m0/s1
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 1.99E+5n/an/an/an/an/an/a7.4n/a



Dumlupinar University



Assay Description
CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25°C using a spect...

J Enzyme Inhib Med Chem 27: 148-54 (2012)


Article DOI: 10.3109/14756366.2011.629198
BindingDB Entry DOI: 10.7270/Q2M907JC
More data for this
Ligand-Target Pair
Carbonic anhydrase 6


(Homo sapiens (Human))		BDBM235710
PNG
(9(R(S))-Hydroxy-1,2,3,4-tetrahydro-1,4-methanonaph...)
Show SMILES O[C@@H]1C2C[C@H](OS(O)(=O)=O)C1c1ccccc21 |r,TLB:12:11:4.3:1,5:4:16.11:1,0:1:16.11:4.3|
Show InChI InChI=1S/C11H12O5S/c12-11-8-5-9(16-17(13,14)15)10(11)7-4-2-1-3-6(7)8/h1-4,8-12H,5H2,(H,13,14,15)/t8?,9-,10?,11+/m0/s1
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 2.21E+5n/an/an/an/an/an/a7.4n/a



Dumlupinar University



Assay Description
CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25°C using a spect...

J Enzyme Inhib Med Chem 27: 148-54 (2012)


Article DOI: 10.3109/14756366.2011.629198
BindingDB Entry DOI: 10.7270/Q2M907JC
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))		BDBM235711
PNG
(9(R(S))-Hydroxy-1,2,3,4-tetrahydro-1,4-methanonaph...)
Show SMILES O[C@H]1CC2[C@@H](O)C1c1ccccc21 |r,TLB:0:1:12.7:4,5:4:12.7:1.2,THB:8:7:1.2:4|
Show InChI InChI=1S/C11H12O2/c12-9-5-8-6-3-1-2-4-7(6)10(9)11(8)13/h1-4,8-13H,5H2/t8?,9-,10?,11+/m0/s1
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 2.34E+5n/an/an/an/an/an/a7.4n/a



Dumlupinar University



Assay Description
CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25°C using a spect...

J Enzyme Inhib Med Chem 27: 148-54 (2012)


Article DOI: 10.3109/14756366.2011.629198
BindingDB Entry DOI: 10.7270/Q2M907JC
More data for this
Ligand-Target Pair
Carbonic anhydrase 6


(Homo sapiens (Human))		BDBM235711
PNG
(9(R(S))-Hydroxy-1,2,3,4-tetrahydro-1,4-methanonaph...)
Show SMILES O[C@H]1CC2[C@@H](O)C1c1ccccc21 |r,TLB:0:1:12.7:4,5:4:12.7:1.2,THB:8:7:1.2:4|
Show InChI InChI=1S/C11H12O2/c12-9-5-8-6-3-1-2-4-7(6)10(9)11(8)13/h1-4,8-13H,5H2/t8?,9-,10?,11+/m0/s1
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 2.78E+5n/an/an/an/an/an/a7.4n/a



Dumlupinar University



Assay Description
CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25°C using a spect...

J Enzyme Inhib Med Chem 27: 148-54 (2012)


Article DOI: 10.3109/14756366.2011.629198
BindingDB Entry DOI: 10.7270/Q2M907JC
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))		BDBM235712
PNG
(trans-(2R(S),3R(S))-1,2,3,4-Tetrahydronaphthalene-...)
Show SMILES O[C@@H]1Cc2ccccc2C[C@H]1O |r|
Show InChI InChI=1S/C10H12O2/c11-9-5-7-3-1-2-4-8(7)6-10(9)12/h1-4,9-12H,5-6H2/t9-,10-/m1/s1
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 4.23E+5n/an/an/an/an/an/a7.4n/a



Dumlupinar University



Assay Description
CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25°C using a spect...

J Enzyme Inhib Med Chem 27: 148-54 (2012)


Article DOI: 10.3109/14756366.2011.629198
BindingDB Entry DOI: 10.7270/Q2M907JC
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%