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Compile Data Set for Download or QSAR

Found 48 hits Enz. Inhib. hit(s) with all data for entry = 50011866   
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))
BDBM50552011
PNG
(CHEMBL4792992)
Show SMILES CN(C)CCCN1CCN(CC1)C(=S)SCC(=O)Nc1ccc(cc1)S(N)(=O)=O
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13n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human erythrocyte CA2 using 4-nitrophenyl acetate as substrate by Lineweaver-Burk plot analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112392
BindingDB Entry DOI: 10.7270/Q2C2512X
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50552018
PNG
(CHEMBL4764100)
Show SMILES CN1CCN(CC1)C(=S)SCC(=O)Nc1ccc(cc1)S(N)(=O)=O
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21n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human erythrocyte CA2 using 4-nitrophenyl acetate as substrate by Lineweaver-Burk plot analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112392
BindingDB Entry DOI: 10.7270/Q2C2512X
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50552012
PNG
(CHEMBL4786423)
Show SMILES CN(C)CCN1CCN(CC1)C(=S)SCC(=O)Nc1ccc(cc1)S(N)(=O)=O
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26n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human erythrocyte CA2 using 4-nitrophenyl acetate as substrate by Lineweaver-Burk plot analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112392
BindingDB Entry DOI: 10.7270/Q2C2512X
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50552009
PNG
(CHEMBL4747356)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CSC(=S)N2CCN(CC2)c2ccccn2)cc1
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28n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human erythrocyte CA2 using 4-nitrophenyl acetate as substrate by Lineweaver-Burk plot analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112392
BindingDB Entry DOI: 10.7270/Q2C2512X
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50552011
PNG
(CHEMBL4792992)
Show SMILES CN(C)CCCN1CCN(CC1)C(=S)SCC(=O)Nc1ccc(cc1)S(N)(=O)=O
PDB
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32n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human erythrocyte CA1 b using 4-nitrophenyl acetate as substrate by Lineweaver-Burk plot analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112392
BindingDB Entry DOI: 10.7270/Q2C2512X
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50552008
PNG
(CHEMBL4750069)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CSC(=S)N2CCN(CC2)c2ncccn2)cc1
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41n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human erythrocyte CA1 b using 4-nitrophenyl acetate as substrate by Lineweaver-Burk plot analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112392
BindingDB Entry DOI: 10.7270/Q2C2512X
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50552012
PNG
(CHEMBL4786423)
Show SMILES CN(C)CCN1CCN(CC1)C(=S)SCC(=O)Nc1ccc(cc1)S(N)(=O)=O
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49n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human erythrocyte CA1 b using 4-nitrophenyl acetate as substrate by Lineweaver-Burk plot analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112392
BindingDB Entry DOI: 10.7270/Q2C2512X
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50552014
PNG
(CHEMBL4763412)
Show SMILES Cc1ccc(CN2CCN(CC2)C(=S)SCC(=O)Nc2ccc(cc2)S(N)(=O)=O)cc1
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87n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human erythrocyte CA2 using 4-nitrophenyl acetate as substrate by Lineweaver-Burk plot analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112392
BindingDB Entry DOI: 10.7270/Q2C2512X
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50552018
PNG
(CHEMBL4764100)
Show SMILES CN1CCN(CC1)C(=S)SCC(=O)Nc1ccc(cc1)S(N)(=O)=O
PDB
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98n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human erythrocyte CA1 b using 4-nitrophenyl acetate as substrate by Lineweaver-Burk plot analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112392
BindingDB Entry DOI: 10.7270/Q2C2512X
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50552008
PNG
(CHEMBL4750069)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CSC(=S)N2CCN(CC2)c2ncccn2)cc1
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107n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human erythrocyte CA2 using 4-nitrophenyl acetate as substrate by Lineweaver-Burk plot analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112392
BindingDB Entry DOI: 10.7270/Q2C2512X
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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135n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human erythrocyte CA2 using 4-nitrophenyl acetate as substrate by Lineweaver-Burk plot analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112392
BindingDB Entry DOI: 10.7270/Q2C2512X
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50552009
PNG
(CHEMBL4747356)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CSC(=S)N2CCN(CC2)c2ccccn2)cc1
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164n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human erythrocyte CA1 b using 4-nitrophenyl acetate as substrate by Lineweaver-Burk plot analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112392
BindingDB Entry DOI: 10.7270/Q2C2512X
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50552015
PNG
(CHEMBL4783836)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CSC(=S)N2CCN(Cc3ccc(F)cc3)CC2)cc1
PDB
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180n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human erythrocyte CA2 using 4-nitrophenyl acetate as substrate by Lineweaver-Burk plot analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112392
BindingDB Entry DOI: 10.7270/Q2C2512X
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50552014
PNG
(CHEMBL4763412)
Show SMILES Cc1ccc(CN2CCN(CC2)C(=S)SCC(=O)Nc2ccc(cc2)S(N)(=O)=O)cc1
PDB
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280n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human erythrocyte CA1 b using 4-nitrophenyl acetate as substrate by Lineweaver-Burk plot analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112392
BindingDB Entry DOI: 10.7270/Q2C2512X
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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289n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human erythrocyte CA1 b using 4-nitrophenyl acetate as substrate by Lineweaver-Burk plot analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112392
BindingDB Entry DOI: 10.7270/Q2C2512X
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50552015
PNG
(CHEMBL4783836)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CSC(=S)N2CCN(Cc3ccc(F)cc3)CC2)cc1
PDB
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299n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human erythrocyte CA1 b using 4-nitrophenyl acetate as substrate by Lineweaver-Burk plot analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112392
BindingDB Entry DOI: 10.7270/Q2C2512X
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50552017
PNG
(CHEMBL4741640)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CSC(=S)N2CCN(CC2)C2CCCCC2)cc1
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360n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human erythrocyte CA2 using 4-nitrophenyl acetate as substrate by Lineweaver-Burk plot analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112392
BindingDB Entry DOI: 10.7270/Q2C2512X
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50552010
PNG
(CHEMBL4759737)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CSC(=S)N2CCN(CC2)C(=O)c2ccco2)cc1
PDB
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597n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human erythrocyte CA2 using 4-nitrophenyl acetate as substrate by Lineweaver-Burk plot analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112392
BindingDB Entry DOI: 10.7270/Q2C2512X
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50552016
PNG
(CHEMBL4746908)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CSC(=S)N2CCN(CC2)c2ccc(cc2)[N+]([O-])=O)cc1
PDB
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1.89E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human erythrocyte CA1 b using 4-nitrophenyl acetate as substrate by Lineweaver-Burk plot analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112392
BindingDB Entry DOI: 10.7270/Q2C2512X
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50552016
PNG
(CHEMBL4746908)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CSC(=S)N2CCN(CC2)c2ccc(cc2)[N+]([O-])=O)cc1
PDB
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2.03E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human erythrocyte CA2 using 4-nitrophenyl acetate as substrate by Lineweaver-Burk plot analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112392
BindingDB Entry DOI: 10.7270/Q2C2512X
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50552010
PNG
(CHEMBL4759737)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CSC(=S)N2CCN(CC2)C(=O)c2ccco2)cc1
PDB
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7.71E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human erythrocyte CA1 b using 4-nitrophenyl acetate as substrate by Lineweaver-Burk plot analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112392
BindingDB Entry DOI: 10.7270/Q2C2512X
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50552017
PNG
(CHEMBL4741640)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CSC(=S)N2CCN(CC2)C2CCCCC2)cc1
PDB
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1.16E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human erythrocyte CA1 b using 4-nitrophenyl acetate as substrate by Lineweaver-Burk plot analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112392
BindingDB Entry DOI: 10.7270/Q2C2512X
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50552013
PNG
(CHEMBL4761403)
Show SMILES COc1ccc(CN2CCN(CC2)C(=S)SCC(=O)Nc2ccc(cc2)S(N)(=O)=O)cc1
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6.48E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human erythrocyte CA1 b using 4-nitrophenyl acetate as substrate by Lineweaver-Burk plot analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112392
BindingDB Entry DOI: 10.7270/Q2C2512X
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50552013
PNG
(CHEMBL4761403)
Show SMILES COc1ccc(CN2CCN(CC2)C(=S)SCC(=O)Nc2ccc(cc2)S(N)(=O)=O)cc1
PDB
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6.77E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human erythrocyte CA2 using 4-nitrophenyl acetate as substrate by Lineweaver-Burk plot analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112392
BindingDB Entry DOI: 10.7270/Q2C2512X
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50552011
PNG
(CHEMBL4792992)
Show SMILES CN(C)CCCN1CCN(CC1)C(=S)SCC(=O)Nc1ccc(cc1)S(N)(=O)=O
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n/an/a 24n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human erythrocyte CA2 using 4-nitrophenyl acetate as substrate by spectrophotometry


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112392
BindingDB Entry DOI: 10.7270/Q2C2512X
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50552018
PNG
(CHEMBL4764100)
Show SMILES CN1CCN(CC1)C(=S)SCC(=O)Nc1ccc(cc1)S(N)(=O)=O
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n/an/a 28n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human erythrocyte CA2 using 4-nitrophenyl acetate as substrate by spectrophotometry


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112392
BindingDB Entry DOI: 10.7270/Q2C2512X
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50552012
PNG
(CHEMBL4786423)
Show SMILES CN(C)CCN1CCN(CC1)C(=S)SCC(=O)Nc1ccc(cc1)S(N)(=O)=O
PDB
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n/an/a 33n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human erythrocyte CA2 using 4-nitrophenyl acetate as substrate by spectrophotometry


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112392
BindingDB Entry DOI: 10.7270/Q2C2512X
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50552009
PNG
(CHEMBL4747356)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CSC(=S)N2CCN(CC2)c2ccccn2)cc1
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n/an/a 39n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human erythrocyte CA2 using 4-nitrophenyl acetate as substrate by spectrophotometry


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112392
BindingDB Entry DOI: 10.7270/Q2C2512X
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50552011
PNG
(CHEMBL4792992)
Show SMILES CN(C)CCCN1CCN(CC1)C(=S)SCC(=O)Nc1ccc(cc1)S(N)(=O)=O
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n/an/a 47n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human erythrocyte CA1 using 4-nitrophenyl acetate as substrate by spectrophotometry


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112392
BindingDB Entry DOI: 10.7270/Q2C2512X
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50552008
PNG
(CHEMBL4750069)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CSC(=S)N2CCN(CC2)c2ncccn2)cc1
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n/an/a 65n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human erythrocyte CA1 using 4-nitrophenyl acetate as substrate by spectrophotometry


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112392
BindingDB Entry DOI: 10.7270/Q2C2512X
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50552012
PNG
(CHEMBL4786423)
Show SMILES CN(C)CCN1CCN(CC1)C(=S)SCC(=O)Nc1ccc(cc1)S(N)(=O)=O
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n/an/a 81n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human erythrocyte CA1 using 4-nitrophenyl acetate as substrate by spectrophotometry


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112392
BindingDB Entry DOI: 10.7270/Q2C2512X
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50552014
PNG
(CHEMBL4763412)
Show SMILES Cc1ccc(CN2CCN(CC2)C(=S)SCC(=O)Nc2ccc(cc2)S(N)(=O)=O)cc1
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n/an/a 131n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human erythrocyte CA2 using 4-nitrophenyl acetate as substrate by spectrophotometry


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112392
BindingDB Entry DOI: 10.7270/Q2C2512X
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50552018
PNG
(CHEMBL4764100)
Show SMILES CN1CCN(CC1)C(=S)SCC(=O)Nc1ccc(cc1)S(N)(=O)=O
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n/an/a 152n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human erythrocyte CA1 using 4-nitrophenyl acetate as substrate by spectrophotometry


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112392
BindingDB Entry DOI: 10.7270/Q2C2512X
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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n/an/a 175n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human erythrocyte CA2 using 4-nitrophenyl acetate as substrate by spectrophotometry


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112392
BindingDB Entry DOI: 10.7270/Q2C2512X
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50552008
PNG
(CHEMBL4750069)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CSC(=S)N2CCN(CC2)c2ncccn2)cc1
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n/an/a 191n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human erythrocyte CA2 using 4-nitrophenyl acetate as substrate by spectrophotometry


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112392
BindingDB Entry DOI: 10.7270/Q2C2512X
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50552015
PNG
(CHEMBL4783836)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CSC(=S)N2CCN(Cc3ccc(F)cc3)CC2)cc1
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n/an/a 251n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human erythrocyte CA2 using 4-nitrophenyl acetate as substrate by spectrophotometry


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112392
BindingDB Entry DOI: 10.7270/Q2C2512X
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50552009
PNG
(CHEMBL4747356)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CSC(=S)N2CCN(CC2)c2ccccn2)cc1
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n/an/a 281n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human erythrocyte CA1 using 4-nitrophenyl acetate as substrate by spectrophotometry


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112392
BindingDB Entry DOI: 10.7270/Q2C2512X
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 361n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human erythrocyte CA1 using 4-nitrophenyl acetate as substrate by spectrophotometry


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112392
BindingDB Entry DOI: 10.7270/Q2C2512X
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50552014
PNG
(CHEMBL4763412)
Show SMILES Cc1ccc(CN2CCN(CC2)C(=S)SCC(=O)Nc2ccc(cc2)S(N)(=O)=O)cc1
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n/an/a 375n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human erythrocyte CA1 using 4-nitrophenyl acetate as substrate by spectrophotometry


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112392
BindingDB Entry DOI: 10.7270/Q2C2512X
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50552015
PNG
(CHEMBL4783836)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CSC(=S)N2CCN(Cc3ccc(F)cc3)CC2)cc1
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n/an/a 415n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human erythrocyte CA1 using 4-nitrophenyl acetate as substrate by spectrophotometry


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112392
BindingDB Entry DOI: 10.7270/Q2C2512X
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50552017
PNG
(CHEMBL4741640)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CSC(=S)N2CCN(CC2)C2CCCCC2)cc1
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n/an/a 522n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human erythrocyte CA2 using 4-nitrophenyl acetate as substrate by spectrophotometry


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112392
BindingDB Entry DOI: 10.7270/Q2C2512X
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50552010
PNG
(CHEMBL4759737)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CSC(=S)N2CCN(CC2)C(=O)c2ccco2)cc1
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n/an/a 857n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human erythrocyte CA2 using 4-nitrophenyl acetate as substrate by spectrophotometry


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112392
BindingDB Entry DOI: 10.7270/Q2C2512X
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50552016
PNG
(CHEMBL4746908)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CSC(=S)N2CCN(CC2)c2ccc(cc2)[N+]([O-])=O)cc1
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n/an/a 2.23E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human erythrocyte CA2 using 4-nitrophenyl acetate as substrate by spectrophotometry


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112392
BindingDB Entry DOI: 10.7270/Q2C2512X
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50552010
PNG
(CHEMBL4759737)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CSC(=S)N2CCN(CC2)C(=O)c2ccco2)cc1
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n/an/a 9.56E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human erythrocyte CA1 using 4-nitrophenyl acetate as substrate by spectrophotometry


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112392
BindingDB Entry DOI: 10.7270/Q2C2512X
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50552017
PNG
(CHEMBL4741640)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CSC(=S)N2CCN(CC2)C2CCCCC2)cc1
PDB
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n/an/a 2.08E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human erythrocyte CA1 using 4-nitrophenyl acetate as substrate by spectrophotometry


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112392
BindingDB Entry DOI: 10.7270/Q2C2512X
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50552016
PNG
(CHEMBL4746908)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CSC(=S)N2CCN(CC2)c2ccc(cc2)[N+]([O-])=O)cc1
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n/an/a 2.13E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human erythrocyte CA1 using 4-nitrophenyl acetate as substrate by spectrophotometry


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112392
BindingDB Entry DOI: 10.7270/Q2C2512X
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50552013
PNG
(CHEMBL4761403)
Show SMILES COc1ccc(CN2CCN(CC2)C(=S)SCC(=O)Nc2ccc(cc2)S(N)(=O)=O)cc1
PDB
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n/an/a 8.74E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human erythrocyte CA1 using 4-nitrophenyl acetate as substrate by spectrophotometry


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112392
BindingDB Entry DOI: 10.7270/Q2C2512X
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50552013
PNG
(CHEMBL4761403)
Show SMILES COc1ccc(CN2CCN(CC2)C(=S)SCC(=O)Nc2ccc(cc2)S(N)(=O)=O)cc1
PDB
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n/an/a 9.14E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human erythrocyte CA2 using 4-nitrophenyl acetate as substrate by spectrophotometry


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112392
BindingDB Entry DOI: 10.7270/Q2C2512X
More data for this
Ligand-Target Pair