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Compile Data Set for Download or QSAR

Found 243 hits with Last Name = 'alaaeddine' and Initial = 'r'   
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 12


(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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5.70n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA12 by stopped-flow carbon dioxide hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112439
BindingDB Entry DOI: 10.7270/Q2057KNJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50564911
PNG
(CHEMBL4786755)
Show SMILES CC(=O)c1nnn(c1C)-c1ccc(cc1)S(N)(=O)=O
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7.90n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA2 by stopped-flow carbon dioxide hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112439
BindingDB Entry DOI: 10.7270/Q2057KNJ
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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12n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA2 by stopped-flow carbon dioxide hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112439
BindingDB Entry DOI: 10.7270/Q2057KNJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50564897
PNG
(CHEMBL4780406)
Show SMILES C\C(=N/Nc1nc(cs1)-c1ccc(Cl)cc1)c1nnn(c1C)-c1ccc(cc1)S(N)(=O)=O
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13n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA12 by stopped-flow carbon dioxide hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112439
BindingDB Entry DOI: 10.7270/Q2057KNJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50564897
PNG
(CHEMBL4780406)
Show SMILES C\C(=N/Nc1nc(cs1)-c1ccc(Cl)cc1)c1nnn(c1C)-c1ccc(cc1)S(N)(=O)=O
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14n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA2 by stopped-flow carbon dioxide hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112439
BindingDB Entry DOI: 10.7270/Q2057KNJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50564917
PNG
(CHEMBL4791577)
Show SMILES C\C(=N/NC(N)=S)c1nnn(c1C)-c1ccc(cc1)S(N)(=O)=O
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15n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA12 by stopped-flow carbon dioxide hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112439
BindingDB Entry DOI: 10.7270/Q2057KNJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50564913
PNG
(CHEMBL4795119)
Show SMILES C\C(=N/NC(N)=O)c1nnn(c1C)-c1ccc(cc1)S(N)(=O)=O
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16n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA2 by stopped-flow carbon dioxide hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112439
BindingDB Entry DOI: 10.7270/Q2057KNJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50564913
PNG
(CHEMBL4795119)
Show SMILES C\C(=N/NC(N)=O)c1nnn(c1C)-c1ccc(cc1)S(N)(=O)=O
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20n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA12 by stopped-flow carbon dioxide hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112439
BindingDB Entry DOI: 10.7270/Q2057KNJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(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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26n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA9 by stopped-flow carbon dioxide hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112439
BindingDB Entry DOI: 10.7270/Q2057KNJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50564917
PNG
(CHEMBL4791577)
Show SMILES C\C(=N/NC(N)=S)c1nnn(c1C)-c1ccc(cc1)S(N)(=O)=O
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32n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA2 by stopped-flow carbon dioxide hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112439
BindingDB Entry DOI: 10.7270/Q2057KNJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50564911
PNG
(CHEMBL4786755)
Show SMILES CC(=O)c1nnn(c1C)-c1ccc(cc1)S(N)(=O)=O
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73n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA1 by stopped-flow carbon dioxide hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112439
BindingDB Entry DOI: 10.7270/Q2057KNJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50564911
PNG
(CHEMBL4786755)
Show SMILES CC(=O)c1nnn(c1C)-c1ccc(cc1)S(N)(=O)=O
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83n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA12 by stopped-flow carbon dioxide hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112439
BindingDB Entry DOI: 10.7270/Q2057KNJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50564917
PNG
(CHEMBL4791577)
Show SMILES C\C(=N/NC(N)=S)c1nnn(c1C)-c1ccc(cc1)S(N)(=O)=O
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84n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA1 by stopped-flow carbon dioxide hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112439
BindingDB Entry DOI: 10.7270/Q2057KNJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50564901
PNG
(CHEMBL4781301)
Show SMILES Cc1c(nnn1-c1ccc(cc1)C(O)=O)-c1nn(cc1\C=N\O)-c1ccccc1
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154n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA12 by stopped-flow carbon dioxide hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112439
BindingDB Entry DOI: 10.7270/Q2057KNJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50564913
PNG
(CHEMBL4795119)
Show SMILES C\C(=N/NC(N)=O)c1nnn(c1C)-c1ccc(cc1)S(N)(=O)=O
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213n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA1 by stopped-flow carbon dioxide hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112439
BindingDB Entry DOI: 10.7270/Q2057KNJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50564901
PNG
(CHEMBL4781301)
Show SMILES Cc1c(nnn1-c1ccc(cc1)C(O)=O)-c1nn(cc1\C=N\O)-c1ccccc1
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239n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA2 by stopped-flow carbon dioxide hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112439
BindingDB Entry DOI: 10.7270/Q2057KNJ
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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250n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA1 by stopped-flow carbon dioxide hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112439
BindingDB Entry DOI: 10.7270/Q2057KNJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50564897
PNG
(CHEMBL4780406)
Show SMILES C\C(=N/Nc1nc(cs1)-c1ccc(Cl)cc1)c1nnn(c1C)-c1ccc(cc1)S(N)(=O)=O
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252n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA1 by stopped-flow carbon dioxide hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112439
BindingDB Entry DOI: 10.7270/Q2057KNJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50564916
PNG
(CHEMBL4792785)
Show SMILES C\C(=N/NC(N)=S)c1nnn(c1C)-c1ccc(cc1)C(O)=O
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416n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA2 by stopped-flow carbon dioxide hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112439
BindingDB Entry DOI: 10.7270/Q2057KNJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50564896
PNG
(CHEMBL4797489)
Show SMILES C\C(=N/Nc1nc(cs1)-c1ccc(Cl)cc1)c1nnn(c1C)-c1ccc(cc1)C(O)=O
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551n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA1 by stopped-flow carbon dioxide hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112439
BindingDB Entry DOI: 10.7270/Q2057KNJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50564896
PNG
(CHEMBL4797489)
Show SMILES C\C(=N/Nc1nc(cs1)-c1ccc(Cl)cc1)c1nnn(c1C)-c1ccc(cc1)C(O)=O
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566n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA2 by stopped-flow carbon dioxide hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112439
BindingDB Entry DOI: 10.7270/Q2057KNJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50564901
PNG
(CHEMBL4781301)
Show SMILES Cc1c(nnn1-c1ccc(cc1)C(O)=O)-c1nn(cc1\C=N\O)-c1ccccc1
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2.25E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA9 by stopped-flow carbon dioxide hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112439
BindingDB Entry DOI: 10.7270/Q2057KNJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50564913
PNG
(CHEMBL4795119)
Show SMILES C\C(=N/NC(N)=O)c1nnn(c1C)-c1ccc(cc1)S(N)(=O)=O
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4.22E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA9 by stopped-flow carbon dioxide hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112439
BindingDB Entry DOI: 10.7270/Q2057KNJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50564901
PNG
(CHEMBL4781301)
Show SMILES Cc1c(nnn1-c1ccc(cc1)C(O)=O)-c1nn(cc1\C=N\O)-c1ccccc1
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4.63E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA1 by stopped-flow carbon dioxide hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112439
BindingDB Entry DOI: 10.7270/Q2057KNJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50564912
PNG
(CHEMBL4786875)
Show SMILES CC(=O)c1nnn(c1C)-c1ccc(cc1)S(=O)(=O)Nc1nccs1
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6.28E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA2 by stopped-flow carbon dioxide hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112439
BindingDB Entry DOI: 10.7270/Q2057KNJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50564914
PNG
(CHEMBL4792442)
Show SMILES C\C(=N/NC(N)=O)c1nnn(c1C)-c1ccc(cc1)S(=O)(=O)Nc1nccs1
PDB
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6.86E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA2 by stopped-flow carbon dioxide hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112439
BindingDB Entry DOI: 10.7270/Q2057KNJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50564917
PNG
(CHEMBL4791577)
Show SMILES C\C(=N/NC(N)=S)c1nnn(c1C)-c1ccc(cc1)S(N)(=O)=O
PDB
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7.27E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA9 by stopped-flow carbon dioxide hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112439
BindingDB Entry DOI: 10.7270/Q2057KNJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50564902
PNG
(CHEMBL4788698)
Show SMILES Cc1c(nnn1-c1ccc(cc1)S(N)(=O)=O)-c1nn(cc1\C=N\O)-c1ccccc1
PDB
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7.71E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA2 by stopped-flow carbon dioxide hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112439
BindingDB Entry DOI: 10.7270/Q2057KNJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50564897
PNG
(CHEMBL4780406)
Show SMILES C\C(=N/Nc1nc(cs1)-c1ccc(Cl)cc1)c1nnn(c1C)-c1ccc(cc1)S(N)(=O)=O
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7.89E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA9 by stopped-flow carbon dioxide hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112439
BindingDB Entry DOI: 10.7270/Q2057KNJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50564911
PNG
(CHEMBL4786755)
Show SMILES CC(=O)c1nnn(c1C)-c1ccc(cc1)S(N)(=O)=O
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9.12E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA9 by stopped-flow carbon dioxide hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112439
BindingDB Entry DOI: 10.7270/Q2057KNJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50564902
PNG
(CHEMBL4788698)
Show SMILES Cc1c(nnn1-c1ccc(cc1)S(N)(=O)=O)-c1nn(cc1\C=N\O)-c1ccccc1
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1.83E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA1 by stopped-flow carbon dioxide hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112439
BindingDB Entry DOI: 10.7270/Q2057KNJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50564914
PNG
(CHEMBL4792442)
Show SMILES C\C(=N/NC(N)=O)c1nnn(c1C)-c1ccc(cc1)S(=O)(=O)Nc1nccs1
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4.63E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA1 by stopped-flow carbon dioxide hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112439
BindingDB Entry DOI: 10.7270/Q2057KNJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50564912
PNG
(CHEMBL4786875)
Show SMILES CC(=O)c1nnn(c1C)-c1ccc(cc1)S(=O)(=O)Nc1nccs1
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5.10E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA1 by stopped-flow carbon dioxide hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112439
BindingDB Entry DOI: 10.7270/Q2057KNJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50564918
PNG
(CHEMBL4779437)
Show SMILES C\C(=N/NC(N)=S)c1nnn(c1C)-c1ccc(cc1)S(=O)(=O)Nc1nccs1
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6.25E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA2 by stopped-flow carbon dioxide hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112439
BindingDB Entry DOI: 10.7270/Q2057KNJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50564900
PNG
(CHEMBL4798519)
Show SMILES Cc1c(nnn1-c1ccc(F)cc1)-c1nn(cc1\C=N\O)-c1ccccc1
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>1.00E+5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA12 by stopped-flow carbon dioxide hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112439
BindingDB Entry DOI: 10.7270/Q2057KNJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50564902
PNG
(CHEMBL4788698)
Show SMILES Cc1c(nnn1-c1ccc(cc1)S(N)(=O)=O)-c1nn(cc1\C=N\O)-c1ccccc1
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>1.00E+5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA12 by stopped-flow carbon dioxide hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112439
BindingDB Entry DOI: 10.7270/Q2057KNJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50564915
PNG
(CHEMBL4790291)
Show SMILES C\C(=N/NC(N)=S)c1nnn(c1C)-c1ccc(F)cc1
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>1.00E+5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA1 by stopped-flow carbon dioxide hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112439
BindingDB Entry DOI: 10.7270/Q2057KNJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50564916
PNG
(CHEMBL4792785)
Show SMILES C\C(=N/NC(N)=S)c1nnn(c1C)-c1ccc(cc1)C(O)=O
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>1.00E+5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA1 by stopped-flow carbon dioxide hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112439
BindingDB Entry DOI: 10.7270/Q2057KNJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50564918
PNG
(CHEMBL4779437)
Show SMILES C\C(=N/NC(N)=S)c1nnn(c1C)-c1ccc(cc1)S(=O)(=O)Nc1nccs1
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>1.00E+5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA1 by stopped-flow carbon dioxide hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112439
BindingDB Entry DOI: 10.7270/Q2057KNJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50564919
PNG
(CHEMBL4788147)
Show SMILES C\C(=N/Nc1nc(cs1)-c1ccc(Cl)cc1)c1nnn(c1C)-c1ccc(Cl)cc1
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>1.00E+5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA1 by stopped-flow carbon dioxide hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112439
BindingDB Entry DOI: 10.7270/Q2057KNJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50564898
PNG
(CHEMBL4794089)
Show SMILES C\C(=N/Nc1nc(cs1)-c1ccc(Cl)cc1)c1nnn(c1C)-c1ccc(cc1)S(=O)(=O)Nc1nccs1
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>1.00E+5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA1 by stopped-flow carbon dioxide hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112439
BindingDB Entry DOI: 10.7270/Q2057KNJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50564899
PNG
(CHEMBL4786489)
Show SMILES Cc1c(nnn1-c1ccc(Cl)cc1)-c1nn(cc1\C=N\O)-c1ccccc1
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>1.00E+5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA1 by stopped-flow carbon dioxide hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112439
BindingDB Entry DOI: 10.7270/Q2057KNJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50564900
PNG
(CHEMBL4798519)
Show SMILES Cc1c(nnn1-c1ccc(F)cc1)-c1nn(cc1\C=N\O)-c1ccccc1
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>1.00E+5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA1 by stopped-flow carbon dioxide hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112439
BindingDB Entry DOI: 10.7270/Q2057KNJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50564915
PNG
(CHEMBL4790291)
Show SMILES C\C(=N/NC(N)=S)c1nnn(c1C)-c1ccc(F)cc1
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>1.00E+5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA2 by stopped-flow carbon dioxide hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112439
BindingDB Entry DOI: 10.7270/Q2057KNJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50564919
PNG
(CHEMBL4788147)
Show SMILES C\C(=N/Nc1nc(cs1)-c1ccc(Cl)cc1)c1nnn(c1C)-c1ccc(Cl)cc1
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>1.00E+5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA2 by stopped-flow carbon dioxide hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112439
BindingDB Entry DOI: 10.7270/Q2057KNJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50564898
PNG
(CHEMBL4794089)
Show SMILES C\C(=N/Nc1nc(cs1)-c1ccc(Cl)cc1)c1nnn(c1C)-c1ccc(cc1)S(=O)(=O)Nc1nccs1
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>1.00E+5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA2 by stopped-flow carbon dioxide hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112439
BindingDB Entry DOI: 10.7270/Q2057KNJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50564899
PNG
(CHEMBL4786489)
Show SMILES Cc1c(nnn1-c1ccc(Cl)cc1)-c1nn(cc1\C=N\O)-c1ccccc1
PDB
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>1.00E+5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA2 by stopped-flow carbon dioxide hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112439
BindingDB Entry DOI: 10.7270/Q2057KNJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50564900
PNG
(CHEMBL4798519)
Show SMILES Cc1c(nnn1-c1ccc(F)cc1)-c1nn(cc1\C=N\O)-c1ccccc1
PDB
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>1.00E+5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA2 by stopped-flow carbon dioxide hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112439
BindingDB Entry DOI: 10.7270/Q2057KNJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50564912
PNG
(CHEMBL4786875)
Show SMILES CC(=O)c1nnn(c1C)-c1ccc(cc1)S(=O)(=O)Nc1nccs1
PDB
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>1.00E+5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA9 by stopped-flow carbon dioxide hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112439
BindingDB Entry DOI: 10.7270/Q2057KNJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50564914
PNG
(CHEMBL4792442)
Show SMILES C\C(=N/NC(N)=O)c1nnn(c1C)-c1ccc(cc1)S(=O)(=O)Nc1nccs1
PDB
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>1.00E+5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA9 by stopped-flow carbon dioxide hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112439
BindingDB Entry DOI: 10.7270/Q2057KNJ
More data for this
Ligand-Target Pair
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