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Compile Data Set for Download or QSAR

Found 22 hits with Last Name = 'bootorabi' and Initial = 'f'   
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
CA VII + BH


(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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2.30n/an/an/an/an/an/a7.5n/a



University of Tampere and Tampere University Hospital



Assay Description
Reactions were measured using 0.2 mM phenol red (Absmax at 557 nm) as the indicator, in 10 mM HEPES, 0.1 M Na2SO4, pH 7.5, for a period of 10-100 s. ...


J Enzyme Inhib Med Chem 26: 862-70 (2011)


Article DOI: 10.3109/14756366.2011.588227
BindingDB Entry DOI: 10.7270/Q2S181DX
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(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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2.40n/an/an/an/an/an/a7.5n/a



University of Tampere and Tampere University Hospital



Assay Description
Reactions were measured using 0.2 mM phenol red (Absmax at 557 nm) as the indicator, in 10 mM HEPES, 0.1 M Na2SO4, pH 7.5, for a period of 10-100 s. ...


J Enzyme Inhib Med Chem 26: 862-70 (2011)


Article DOI: 10.3109/14756366.2011.588227
BindingDB Entry DOI: 10.7270/Q2S181DX
More data for this
Ligand-Target Pair
CA VII + BH


(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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2.5n/an/an/an/an/an/a7.5n/a



University of Tampere and Tampere University Hospital



Assay Description
Reactions were measured using 0.2 mM phenol red (Absmax at 557 nm) as the indicator, in 10 mM HEPES, 0.1 M Na2SO4, pH 7.5, for a period of 10-100 s. ...


J Enzyme Inhib Med Chem 26: 862-70 (2011)


Article DOI: 10.3109/14756366.2011.588227
BindingDB Entry DOI: 10.7270/Q2S181DX
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(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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2.5n/an/an/an/an/an/a7.5n/a



University of Tampere and Tampere University Hospital



Assay Description
Reactions were measured using 0.2 mM phenol red (Absmax at 557 nm) as the indicator, in 10 mM HEPES, 0.1 M Na2SO4, pH 7.5, for a period of 10-100 s. ...


J Enzyme Inhib Med Chem 26: 862-70 (2011)


Article DOI: 10.3109/14756366.2011.588227
BindingDB Entry DOI: 10.7270/Q2S181DX
More data for this
Ligand-Target Pair
Carbonic anhydrase 13 (CA XIII)


(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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16n/an/an/an/an/an/a7.5n/a



University of Tampere and Tampere University Hospital



Assay Description
Reactions were measured using 0.2 mM phenol red (Absmax at 557 nm) as the indicator, in 10 mM HEPES, 0.1 M Na2SO4, pH 7.5, for a period of 10-100 s. ...


J Enzyme Inhib Med Chem 26: 862-70 (2011)


Article DOI: 10.3109/14756366.2011.588227
BindingDB Entry DOI: 10.7270/Q2S181DX
More data for this
Ligand-Target Pair
Carbonic anhydrase 13 (CA XIII)


(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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21n/an/an/an/an/an/a7.5n/a



University of Tampere and Tampere University Hospital



Assay Description
Reactions were measured using 0.2 mM phenol red (Absmax at 557 nm) as the indicator, in 10 mM HEPES, 0.1 M Na2SO4, pH 7.5, for a period of 10-100 s. ...


J Enzyme Inhib Med Chem 26: 862-70 (2011)


Article DOI: 10.3109/14756366.2011.588227
BindingDB Entry DOI: 10.7270/Q2S181DX
More data for this
Ligand-Target Pair
Carbonic anhydrase 13 (CA XIII)


(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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163n/an/an/an/an/an/a7.5n/a



University of Tampere and Tampere University Hospital



Assay Description
Reactions were measured using 0.2 mM phenol red (Absmax at 557 nm) as the indicator, in 10 mM HEPES, 0.1 M Na2SO4, pH 7.5, for a period of 10-100 s. ...


J Enzyme Inhib Med Chem 26: 862-70 (2011)


Article DOI: 10.3109/14756366.2011.588227
BindingDB Entry DOI: 10.7270/Q2S181DX
More data for this
Ligand-Target Pair
CA XIII + BH


(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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164n/an/an/an/an/an/a7.5n/a



University of Tampere and Tampere University Hospital



Assay Description
Reactions were measured using 0.2 mM phenol red (Absmax at 557 nm) as the indicator, in 10 mM HEPES, 0.1 M Na2SO4, pH 7.5, for a period of 10-100 s. ...


J Enzyme Inhib Med Chem 26: 862-70 (2011)


Article DOI: 10.3109/14756366.2011.588227
BindingDB Entry DOI: 10.7270/Q2S181DX
More data for this
Ligand-Target Pair
Carbonic anhydrase 13 (CA XIII)


(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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174n/an/an/an/an/an/a7.5n/a



University of Tampere and Tampere University Hospital



Assay Description
Reactions were measured using 0.2 mM phenol red (Absmax at 557 nm) as the indicator, in 10 mM HEPES, 0.1 M Na2SO4, pH 7.5, for a period of 10-100 s. ...


J Enzyme Inhib Med Chem 26: 862-70 (2011)


Article DOI: 10.3109/14756366.2011.588227
BindingDB Entry DOI: 10.7270/Q2S181DX
More data for this
Ligand-Target Pair
CA XIII + BH


(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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179n/an/an/an/an/an/a7.5n/a



University of Tampere and Tampere University Hospital



Assay Description
Reactions were measured using 0.2 mM phenol red (Absmax at 557 nm) as the indicator, in 10 mM HEPES, 0.1 M Na2SO4, pH 7.5, for a period of 10-100 s. ...


J Enzyme Inhib Med Chem 26: 862-70 (2011)


Article DOI: 10.3109/14756366.2011.588227
BindingDB Entry DOI: 10.7270/Q2S181DX
More data for this
Ligand-Target Pair
Carbonic Anhydrase III


(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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240n/an/an/an/an/an/a7.5n/a



University of Tampere and Tampere University Hospital



Assay Description
Reactions were measured using 0.2 mM phenol red (Absmax at 557 nm) as the indicator, in 10 mM HEPES, 0.1 M Na2SO4, pH 7.5, for a period of 10-100 s. ...


J Enzyme Inhib Med Chem 26: 862-70 (2011)


Article DOI: 10.3109/14756366.2011.588227
BindingDB Entry DOI: 10.7270/Q2S181DX
More data for this
Ligand-Target Pair
Carbonic Anhydrase III


(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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254n/an/an/an/an/an/a7.5n/a



University of Tampere and Tampere University Hospital



Assay Description
Reactions were measured using 0.2 mM phenol red (Absmax at 557 nm) as the indicator, in 10 mM HEPES, 0.1 M Na2SO4, pH 7.5, for a period of 10-100 s. ...


J Enzyme Inhib Med Chem 26: 862-70 (2011)


Article DOI: 10.3109/14756366.2011.588227
BindingDB Entry DOI: 10.7270/Q2S181DX
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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260n/an/an/an/an/an/a7.5n/a



University of Tampere and Tampere University Hospital



Assay Description
Reactions were measured using 0.2 mM phenol red (Absmax at 557 nm) as the indicator, in 10 mM HEPES, 0.1 M Na2SO4, pH 7.5, for a period of 10-100 s. ...


J Enzyme Inhib Med Chem 26: 862-70 (2011)


Article DOI: 10.3109/14756366.2011.588227
BindingDB Entry DOI: 10.7270/Q2S181DX
More data for this
Ligand-Target Pair
Carbonic Anhydrase III


(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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437n/an/an/an/an/an/a7.5n/a



University of Tampere and Tampere University Hospital



Assay Description
Reactions were measured using 0.2 mM phenol red (Absmax at 557 nm) as the indicator, in 10 mM HEPES, 0.1 M Na2SO4, pH 7.5, for a period of 10-100 s. ...


J Enzyme Inhib Med Chem 26: 862-70 (2011)


Article DOI: 10.3109/14756366.2011.588227
BindingDB Entry DOI: 10.7270/Q2S181DX
More data for this
Ligand-Target Pair
Carbonic Anhydrase III


(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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510n/an/an/an/an/an/a7.5n/a



University of Tampere and Tampere University Hospital



Assay Description
Reactions were measured using 0.2 mM phenol red (Absmax at 557 nm) as the indicator, in 10 mM HEPES, 0.1 M Na2SO4, pH 7.5, for a period of 10-100 s. ...


J Enzyme Inhib Med Chem 26: 862-70 (2011)


Article DOI: 10.3109/14756366.2011.588227
BindingDB Entry DOI: 10.7270/Q2S181DX
More data for this
Ligand-Target Pair
CA III + BH


(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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534n/an/an/an/an/an/a7.5n/a



University of Tampere and Tampere University Hospital



Assay Description
Reactions were measured using 0.2 mM phenol red (Absmax at 557 nm) as the indicator, in 10 mM HEPES, 0.1 M Na2SO4, pH 7.5, for a period of 10-100 s. ...


J Enzyme Inhib Med Chem 26: 862-70 (2011)


Article DOI: 10.3109/14756366.2011.588227
BindingDB Entry DOI: 10.7270/Q2S181DX
More data for this
Ligand-Target Pair
CA III + BH


(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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537n/an/an/an/an/an/a7.5n/a



University of Tampere and Tampere University Hospital



Assay Description
Reactions were measured using 0.2 mM phenol red (Absmax at 557 nm) as the indicator, in 10 mM HEPES, 0.1 M Na2SO4, pH 7.5, for a period of 10-100 s. ...


J Enzyme Inhib Med Chem 26: 862-70 (2011)


Article DOI: 10.3109/14756366.2011.588227
BindingDB Entry DOI: 10.7270/Q2S181DX
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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1.58E+3n/an/an/an/an/an/a7.5n/a



University of Tampere and Tampere University Hospital



Assay Description
Reactions were measured using 0.2 mM phenol red (Absmax at 557 nm) as the indicator, in 10 mM HEPES, 0.1 M Na2SO4, pH 7.5, for a period of 10-100 s. ...


J Enzyme Inhib Med Chem 26: 862-70 (2011)


Article DOI: 10.3109/14756366.2011.588227
BindingDB Entry DOI: 10.7270/Q2S181DX
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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1.61E+3n/an/an/an/an/an/a7.5n/a



University of Tampere and Tampere University Hospital



Assay Description
Reactions were measured using 0.2 mM phenol red (Absmax at 557 nm) as the indicator, in 10 mM HEPES, 0.1 M Na2SO4, pH 7.5, for a period of 10-100 s. ...


J Enzyme Inhib Med Chem 26: 862-70 (2011)


Article DOI: 10.3109/14756366.2011.588227
BindingDB Entry DOI: 10.7270/Q2S181DX
More data for this
Ligand-Target Pair
CA I + BH


(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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UniChem

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Article
PubMed
1.64E+3n/an/an/an/an/an/a7.5n/a



University of Tampere and Tampere University Hospital



Assay Description
Reactions were measured using 0.2 mM phenol red (Absmax at 557 nm) as the indicator, in 10 mM HEPES, 0.1 M Na2SO4, pH 7.5, for a period of 10-100 s. ...


J Enzyme Inhib Med Chem 26: 862-70 (2011)


Article DOI: 10.3109/14756366.2011.588227
BindingDB Entry DOI: 10.7270/Q2S181DX
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)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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CHEMBL
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KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
1.65E+3n/an/an/an/an/an/a7.5n/a



University of Tampere and Tampere University Hospital



Assay Description
Reactions were measured using 0.2 mM phenol red (Absmax at 557 nm) as the indicator, in 10 mM HEPES, 0.1 M Na2SO4, pH 7.5, for a period of 10-100 s. ...


J Enzyme Inhib Med Chem 26: 862-70 (2011)


Article DOI: 10.3109/14756366.2011.588227
BindingDB Entry DOI: 10.7270/Q2S181DX
More data for this
Ligand-Target Pair
CA I + BH


(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)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
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KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
1.73E+3n/an/an/an/an/an/a7.5n/a



University of Tampere and Tampere University Hospital



Assay Description
Reactions were measured using 0.2 mM phenol red (Absmax at 557 nm) as the indicator, in 10 mM HEPES, 0.1 M Na2SO4, pH 7.5, for a period of 10-100 s. ...


J Enzyme Inhib Med Chem 26: 862-70 (2011)


Article DOI: 10.3109/14756366.2011.588227
BindingDB Entry DOI: 10.7270/Q2S181DX
More data for this
Ligand-Target Pair