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Compile Data Set for Download or QSAR

Found 64 hits Enz. Inhib. hit(s) with all data for entry = 8236   
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))
BDBM26190
PNG
(1,4-Dihydroxybenzene, XIII | 1,4-dihydroxybenzene ...)
Show SMILES Oc1ccc(O)cc1
Show InChI InChI=1S/C6H6O2/c7-5-1-2-6(8)4-3-5/h1-4,7-8H
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100n/an/an/an/an/an/an/an/a



Agri Ibrahim Çeçen University



Assay Description
Kinetic studies were performed using the esterase activity method, with 4-nitrophenyl acetate (NPA) as substrate.


J Enzyme Inhib Med Chem 27: 880-5 (2012)


Article DOI: 10.3109/14756366.2011.637202
BindingDB Entry DOI: 10.7270/Q2VH5MRR
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM237299
PNG
(Ethoxzolamide (EZA))
Show SMILES CCOc1ccc2nc(CS(N)(=O)=O)sc2c1
Show InChI InChI=1S/C10H12N2O3S2/c1-2-15-7-3-4-8-9(5-7)16-10(12-8)6-17(11,13)14/h3-5H,2,6H2,1H3,(H2,11,13,14)
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320n/an/an/an/an/an/an/an/a



Agri Ibrahim Çeçen University



Assay Description
Kinetic studies were performed using the esterase activity method, with 4-nitrophenyl acetate (NPA) as substrate.


J Enzyme Inhib Med Chem 27: 880-5 (2012)


Article DOI: 10.3109/14756366.2011.637202
BindingDB Entry DOI: 10.7270/Q2VH5MRR
More data for this
Ligand-Target Pair
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/an/an/a



Agri Ibrahim Çeçen University



Assay Description
Kinetic studies were performed using the esterase activity method, with 4-nitrophenyl acetate (NPA) as substrate.


J Enzyme Inhib Med Chem 27: 880-5 (2012)


Article DOI: 10.3109/14756366.2011.637202
BindingDB Entry DOI: 10.7270/Q2VH5MRR
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/an/an/a



Agri Ibrahim Çeçen University



Assay Description
Kinetic studies were performed using the esterase activity method, with 4-nitrophenyl acetate (NPA) as substrate.


J Enzyme Inhib Med Chem 27: 880-5 (2012)


Article DOI: 10.3109/14756366.2011.637202
BindingDB Entry DOI: 10.7270/Q2VH5MRR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50031472
PNG
(1,2,3-Trihydroxybenzene, XIV | CHEMBL307145 | Pyro...)
Show SMILES Oc1cccc(O)c1O
Show InChI InChI=1S/C6H6O3/c7-4-2-1-3-5(8)6(4)9/h1-3,7-9H
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490n/an/an/an/an/an/an/an/a



Agri Ibrahim Çeçen University



Assay Description
Kinetic studies were performed using the esterase activity method, with 4-nitrophenyl acetate (NPA) as substrate.


J Enzyme Inhib Med Chem 27: 880-5 (2012)


Article DOI: 10.3109/14756366.2011.637202
BindingDB Entry DOI: 10.7270/Q2VH5MRR
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50031472
PNG
(1,2,3-Trihydroxybenzene, XIV | CHEMBL307145 | Pyro...)
Show SMILES Oc1cccc(O)c1O
Show InChI InChI=1S/C6H6O3/c7-4-2-1-3-5(8)6(4)9/h1-3,7-9H
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520n/an/an/an/an/an/an/an/a



Agri Ibrahim Çeçen University



Assay Description
Kinetic studies were performed using the esterase activity method, with 4-nitrophenyl acetate (NPA) as substrate.


J Enzyme Inhib Med Chem 27: 880-5 (2012)


Article DOI: 10.3109/14756366.2011.637202
BindingDB Entry DOI: 10.7270/Q2VH5MRR
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
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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578n/an/an/an/an/an/an/an/a



Agri Ibrahim Çeçen University



Assay Description
Kinetic studies were performed using the esterase activity method, with 4-nitrophenyl acetate (NPA) as substrate.


J Enzyme Inhib Med Chem 27: 880-5 (2012)


Article DOI: 10.3109/14756366.2011.637202
BindingDB Entry DOI: 10.7270/Q2VH5MRR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM237299
PNG
(Ethoxzolamide (EZA))
Show SMILES CCOc1ccc2nc(CS(N)(=O)=O)sc2c1
Show InChI InChI=1S/C10H12N2O3S2/c1-2-15-7-3-4-8-9(5-7)16-10(12-8)6-17(11,13)14/h3-5H,2,6H2,1H3,(H2,11,13,14)
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840n/an/an/an/an/an/an/an/a



Agri Ibrahim Çeçen University



Assay Description
Kinetic studies were performed using the esterase activity method, with 4-nitrophenyl acetate (NPA) as substrate.


J Enzyme Inhib Med Chem 27: 880-5 (2012)


Article DOI: 10.3109/14756366.2011.637202
BindingDB Entry DOI: 10.7270/Q2VH5MRR
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM10888
PNG
(1,2-benzoxazol-3-ylmethanesulfonamide | CHEMBL750 ...)
Show SMILES NS(=O)(=O)Cc1noc2ccccc12
Show InChI InChI=1S/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H2,9,11,12)
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1.07E+3n/an/an/an/an/an/an/an/a



Agri Ibrahim Çeçen University



Assay Description
Kinetic studies were performed using the esterase activity method, with 4-nitrophenyl acetate (NPA) as substrate.


J Enzyme Inhib Med Chem 27: 880-5 (2012)


Article DOI: 10.3109/14756366.2011.637202
BindingDB Entry DOI: 10.7270/Q2VH5MRR
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM237297
PNG
(Vanillin (14))
Show SMILES COC1CC(CCC1O)C=O
Show InChI InChI=1S/C8H14O3/c1-11-8-4-6(5-9)2-3-7(8)10/h5-8,10H,2-4H2,1H3
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1.32E+3n/an/an/an/an/an/an/an/a



Agri Ibrahim Çeçen University



Assay Description
Kinetic studies were performed using the esterase activity method, with 4-nitrophenyl acetate (NPA) as substrate.


J Enzyme Inhib Med Chem 27: 880-5 (2012)


Article DOI: 10.3109/14756366.2011.637202
BindingDB Entry DOI: 10.7270/Q2VH5MRR
More data for this
Ligand-Target Pair
Carbonic anhydrase 6


(Homo sapiens (Human))
BDBM237299
PNG
(Ethoxzolamide (EZA))
Show SMILES CCOc1ccc2nc(CS(N)(=O)=O)sc2c1
Show InChI InChI=1S/C10H12N2O3S2/c1-2-15-7-3-4-8-9(5-7)16-10(12-8)6-17(11,13)14/h3-5H,2,6H2,1H3,(H2,11,13,14)
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1.58E+3n/an/an/an/an/an/an/an/a



Agri Ibrahim Çeçen University



Assay Description
Kinetic studies were performed using the esterase activity method, with 4-nitrophenyl acetate (NPA) as substrate.


J Enzyme Inhib Med Chem 27: 880-5 (2012)


Article DOI: 10.3109/14756366.2011.637202
BindingDB Entry DOI: 10.7270/Q2VH5MRR
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM237297
PNG
(Vanillin (14))
Show SMILES COC1CC(CCC1O)C=O
Show InChI InChI=1S/C8H14O3/c1-11-8-4-6(5-9)2-3-7(8)10/h5-8,10H,2-4H2,1H3
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1.84E+3n/an/an/an/an/an/an/an/a



Agri Ibrahim Çeçen University



Assay Description
Kinetic studies were performed using the esterase activity method, with 4-nitrophenyl acetate (NPA) as substrate.


J Enzyme Inhib Med Chem 27: 880-5 (2012)


Article DOI: 10.3109/14756366.2011.637202
BindingDB Entry DOI: 10.7270/Q2VH5MRR
More data for this
Ligand-Target Pair
Carbonic anhydrase 6


(Homo sapiens (Human))
BDBM10888
PNG
(1,2-benzoxazol-3-ylmethanesulfonamide | CHEMBL750 ...)
Show SMILES NS(=O)(=O)Cc1noc2ccccc12
Show InChI InChI=1S/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H2,9,11,12)
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2.42E+3n/an/an/an/an/an/an/an/a



Agri Ibrahim Çeçen University



Assay Description
Kinetic studies were performed using the esterase activity method, with 4-nitrophenyl acetate (NPA) as substrate.


J Enzyme Inhib Med Chem 27: 880-5 (2012)


Article DOI: 10.3109/14756366.2011.637202
BindingDB Entry DOI: 10.7270/Q2VH5MRR
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50240369
PNG
(1-Hydroxy-2-methoxybenzene | 2-Hydroxyanisole | 2-...)
Show SMILES COc1ccccc1O
Show InChI InChI=1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3
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2.98E+3n/an/an/an/an/an/an/an/a



Agri Ibrahim Çeçen University



Assay Description
Kinetic studies were performed using the esterase activity method, with 4-nitrophenyl acetate (NPA) as substrate.


J Enzyme Inhib Med Chem 27: 880-5 (2012)


Article DOI: 10.3109/14756366.2011.637202
BindingDB Entry DOI: 10.7270/Q2VH5MRR
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 6


(Homo sapiens (Human))
BDBM237297
PNG
(Vanillin (14))
Show SMILES COC1CC(CCC1O)C=O
Show InChI InChI=1S/C8H14O3/c1-11-8-4-6(5-9)2-3-7(8)10/h5-8,10H,2-4H2,1H3
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3.27E+3n/an/an/an/an/an/an/an/a



Agri Ibrahim Çeçen University



Assay Description
Kinetic studies were performed using the esterase activity method, with 4-nitrophenyl acetate (NPA) as substrate.


J Enzyme Inhib Med Chem 27: 880-5 (2012)


Article DOI: 10.3109/14756366.2011.637202
BindingDB Entry DOI: 10.7270/Q2VH5MRR
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50240369
PNG
(1-Hydroxy-2-methoxybenzene | 2-Hydroxyanisole | 2-...)
Show SMILES COc1ccccc1O
Show InChI InChI=1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3
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3.56E+3n/an/an/an/an/an/an/an/a



Agri Ibrahim Çeçen University



Assay Description
Kinetic studies were performed using the esterase activity method, with 4-nitrophenyl acetate (NPA) as substrate.


J Enzyme Inhib Med Chem 27: 880-5 (2012)


Article DOI: 10.3109/14756366.2011.637202
BindingDB Entry DOI: 10.7270/Q2VH5MRR
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM237299
PNG
(Ethoxzolamide (EZA))
Show SMILES CCOc1ccc2nc(CS(N)(=O)=O)sc2c1
Show InChI InChI=1S/C10H12N2O3S2/c1-2-15-7-3-4-8-9(5-7)16-10(12-8)6-17(11,13)14/h3-5H,2,6H2,1H3,(H2,11,13,14)
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3.75E+3n/an/an/an/an/an/an/an/a



Agri Ibrahim Çeçen University



Assay Description
Kinetic studies were performed using the esterase activity method, with 4-nitrophenyl acetate (NPA) as substrate.


J Enzyme Inhib Med Chem 27: 880-5 (2012)


Article DOI: 10.3109/14756366.2011.637202
BindingDB Entry DOI: 10.7270/Q2VH5MRR
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM237294
PNG
(1,4-Phenylene dimethanesulfonate (6))
Show SMILES CS(=O)(=O)Oc1ccc(OS(C)(=O)=O)cc1
Show InChI InChI=1S/C8H10O6S2/c1-15(9,10)13-7-3-5-8(6-4-7)14-16(2,11)12/h3-6H,1-2H3
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4.23E+3n/an/an/an/an/an/an/an/a



Agri Ibrahim Çeçen University



Assay Description
Kinetic studies were performed using the esterase activity method, with 4-nitrophenyl acetate (NPA) as substrate.


J Enzyme Inhib Med Chem 27: 880-5 (2012)


Article DOI: 10.3109/14756366.2011.637202
BindingDB Entry DOI: 10.7270/Q2VH5MRR
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM26187
PNG
(α-CA inhibitor, 11 | CHEMBL14060 | US9688816,...)
Show SMILES Oc1ccccc1
Show InChI InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H
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5.60E+3n/an/an/an/an/an/an/an/a



Agri Ibrahim Çeçen University



Assay Description
Kinetic studies were performed using the esterase activity method, with 4-nitrophenyl acetate (NPA) as substrate.


J Enzyme Inhib Med Chem 27: 880-5 (2012)


Article DOI: 10.3109/14756366.2011.637202
BindingDB Entry DOI: 10.7270/Q2VH5MRR
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM237298
PNG
(4-Formyl-2-methoxyphenyl methanesulfonate (15))
Show SMILES COc1cc(C=O)ccc1OS(C)(=O)=O
Show InChI InChI=1S/C9H10O5S/c1-13-9-5-7(6-10)3-4-8(9)14-15(2,11)12/h3-6H,1-2H3
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6.45E+3n/an/an/an/an/an/an/an/a



Agri Ibrahim Çeçen University



Assay Description
Kinetic studies were performed using the esterase activity method, with 4-nitrophenyl acetate (NPA) as substrate.


J Enzyme Inhib Med Chem 27: 880-5 (2012)


Article DOI: 10.3109/14756366.2011.637202
BindingDB Entry DOI: 10.7270/Q2VH5MRR
More data for this
Ligand-Target Pair
Carbonic anhydrase 6


(Homo sapiens (Human))
BDBM50031472
PNG
(1,2,3-Trihydroxybenzene, XIV | CHEMBL307145 | Pyro...)
Show SMILES Oc1cccc(O)c1O
Show InChI InChI=1S/C6H6O3/c7-4-2-1-3-5(8)6(4)9/h1-3,7-9H
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6.83E+3n/an/an/an/an/an/an/an/a



Agri Ibrahim Çeçen University



Assay Description
Kinetic studies were performed using the esterase activity method, with 4-nitrophenyl acetate (NPA) as substrate.


J Enzyme Inhib Med Chem 27: 880-5 (2012)


Article DOI: 10.3109/14756366.2011.637202
BindingDB Entry DOI: 10.7270/Q2VH5MRR
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50031472
PNG
(1,2,3-Trihydroxybenzene, XIV | CHEMBL307145 | Pyro...)
Show SMILES Oc1cccc(O)c1O
Show InChI InChI=1S/C6H6O3/c7-4-2-1-3-5(8)6(4)9/h1-3,7-9H
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7.35E+3n/an/an/an/an/an/an/an/a



Agri Ibrahim Çeçen University



Assay Description
Kinetic studies were performed using the esterase activity method, with 4-nitrophenyl acetate (NPA) as substrate.


J Enzyme Inhib Med Chem 27: 880-5 (2012)


Article DOI: 10.3109/14756366.2011.637202
BindingDB Entry DOI: 10.7270/Q2VH5MRR
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50149238
PNG
(4-Hydroxybiphenyl | 4-Phenylphenol | 4-biphenylol ...)
Show SMILES Oc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C12H10O/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9,13H
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7.41E+3n/an/an/an/an/an/an/an/a



Agri Ibrahim Çeçen University



Assay Description
Kinetic studies were performed using the esterase activity method, with 4-nitrophenyl acetate (NPA) as substrate.


J Enzyme Inhib Med Chem 27: 880-5 (2012)


Article DOI: 10.3109/14756366.2011.637202
BindingDB Entry DOI: 10.7270/Q2VH5MRR
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM237298
PNG
(4-Formyl-2-methoxyphenyl methanesulfonate (15))
Show SMILES COc1cc(C=O)ccc1OS(C)(=O)=O
Show InChI InChI=1S/C9H10O5S/c1-13-9-5-7(6-10)3-4-8(9)14-15(2,11)12/h3-6H,1-2H3
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8.14E+3n/an/an/an/an/an/an/an/a



Agri Ibrahim Çeçen University



Assay Description
Kinetic studies were performed using the esterase activity method, with 4-nitrophenyl acetate (NPA) as substrate.


J Enzyme Inhib Med Chem 27: 880-5 (2012)


Article DOI: 10.3109/14756366.2011.637202
BindingDB Entry DOI: 10.7270/Q2VH5MRR
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM237292
PNG
(Phenylmethanesulfonate (4))
Show SMILES CS(=O)(=O)Oc1ccccc1
Show InChI InChI=1S/C7H8O3S/c1-11(8,9)10-7-5-3-2-4-6-7/h2-6H,1H3
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8.70E+3n/an/an/an/an/an/an/an/a



Agri Ibrahim Çeçen University



Assay Description
Kinetic studies were performed using the esterase activity method, with 4-nitrophenyl acetate (NPA) as substrate.


J Enzyme Inhib Med Chem 27: 880-5 (2012)


Article DOI: 10.3109/14756366.2011.637202
BindingDB Entry DOI: 10.7270/Q2VH5MRR
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM237294
PNG
(1,4-Phenylene dimethanesulfonate (6))
Show SMILES CS(=O)(=O)Oc1ccc(OS(C)(=O)=O)cc1
Show InChI InChI=1S/C8H10O6S2/c1-15(9,10)13-7-3-5-8(6-4-7)14-16(2,11)12/h3-6H,1-2H3
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9.12E+3n/an/an/an/an/an/an/an/a



Agri Ibrahim Çeçen University



Assay Description
Kinetic studies were performed using the esterase activity method, with 4-nitrophenyl acetate (NPA) as substrate.


J Enzyme Inhib Med Chem 27: 880-5 (2012)


Article DOI: 10.3109/14756366.2011.637202
BindingDB Entry DOI: 10.7270/Q2VH5MRR
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM26187
PNG
(α-CA inhibitor, 11 | CHEMBL14060 | US9688816,...)
Show SMILES Oc1ccccc1
Show InChI InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H
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9.70E+3n/an/an/an/an/an/an/an/a



Agri Ibrahim Çeçen University



Assay Description
Kinetic studies were performed using the esterase activity method, with 4-nitrophenyl acetate (NPA) as substrate.


J Enzyme Inhib Med Chem 27: 880-5 (2012)


Article DOI: 10.3109/14756366.2011.637202
BindingDB Entry DOI: 10.7270/Q2VH5MRR
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM26188
PNG
(α-CA inhibitor, 12 | 1,2-Dihydroxybenzene, XI...)
Show SMILES Oc1ccccc1O
Show InChI InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H
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9.92E+3n/an/an/an/an/an/an/an/a



Agri Ibrahim Çeçen University



Assay Description
Kinetic studies were performed using the esterase activity method, with 4-nitrophenyl acetate (NPA) as substrate.


J Enzyme Inhib Med Chem 27: 880-5 (2012)


Article DOI: 10.3109/14756366.2011.637202
BindingDB Entry DOI: 10.7270/Q2VH5MRR
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM26187
PNG
(α-CA inhibitor, 11 | CHEMBL14060 | US9688816,...)
Show SMILES Oc1ccccc1
Show InChI InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H
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1.02E+4n/an/an/an/an/an/an/an/a



Agri Ibrahim Çeçen University



Assay Description
Kinetic studies were performed using the esterase activity method, with 4-nitrophenyl acetate (NPA) as substrate.


J Enzyme Inhib Med Chem 27: 880-5 (2012)


Article DOI: 10.3109/14756366.2011.637202
BindingDB Entry DOI: 10.7270/Q2VH5MRR
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM26190
PNG
(1,4-Dihydroxybenzene, XIII | 1,4-dihydroxybenzene ...)
Show SMILES Oc1ccc(O)cc1
Show InChI InChI=1S/C6H6O2/c7-5-1-2-6(8)4-3-5/h1-4,7-8H
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1.08E+4n/an/an/an/an/an/an/an/a



Agri Ibrahim Çeçen University



Assay Description
Kinetic studies were performed using the esterase activity method, with 4-nitrophenyl acetate (NPA) as substrate.


J Enzyme Inhib Med Chem 27: 880-5 (2012)


Article DOI: 10.3109/14756366.2011.637202
BindingDB Entry DOI: 10.7270/Q2VH5MRR
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM26190
PNG
(1,4-Dihydroxybenzene, XIII | 1,4-dihydroxybenzene ...)
Show SMILES Oc1ccc(O)cc1
Show InChI InChI=1S/C6H6O2/c7-5-1-2-6(8)4-3-5/h1-4,7-8H
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1.08E+4n/an/an/an/an/an/an/an/a



Agri Ibrahim Çeçen University



Assay Description
Kinetic studies were performed using the esterase activity method, with 4-nitrophenyl acetate (NPA) as substrate.


J Enzyme Inhib Med Chem 27: 880-5 (2012)


Article DOI: 10.3109/14756366.2011.637202
BindingDB Entry DOI: 10.7270/Q2VH5MRR
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM26188
PNG
(α-CA inhibitor, 12 | 1,2-Dihydroxybenzene, XI...)
Show SMILES Oc1ccccc1O
Show InChI InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H
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1.09E+4n/an/an/an/an/an/an/an/a



Agri Ibrahim Çeçen University



Assay Description
Kinetic studies were performed using the esterase activity method, with 4-nitrophenyl acetate (NPA) as substrate.


J Enzyme Inhib Med Chem 27: 880-5 (2012)


Article DOI: 10.3109/14756366.2011.637202
BindingDB Entry DOI: 10.7270/Q2VH5MRR
More data for this
Ligand-Target Pair
Carbonic anhydrase 6


(Homo sapiens (Human))
BDBM237298
PNG
(4-Formyl-2-methoxyphenyl methanesulfonate (15))
Show SMILES COc1cc(C=O)ccc1OS(C)(=O)=O
Show InChI InChI=1S/C9H10O5S/c1-13-9-5-7(6-10)3-4-8(9)14-15(2,11)12/h3-6H,1-2H3
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1.21E+4n/an/an/an/an/an/an/an/a



Agri Ibrahim Çeçen University



Assay Description
Kinetic studies were performed using the esterase activity method, with 4-nitrophenyl acetate (NPA) as substrate.


J Enzyme Inhib Med Chem 27: 880-5 (2012)


Article DOI: 10.3109/14756366.2011.637202
BindingDB Entry DOI: 10.7270/Q2VH5MRR
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM237293
PNG
(Biphenyl-4-ylmethanesulfonate (5))
Show SMILES CS(=O)(=O)Oc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C13H12O3S/c1-17(14,15)16-13-9-7-12(8-10-13)11-5-3-2-4-6-11/h2-10H,1H3
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1.22E+4n/an/an/an/an/an/an/an/a



Agri Ibrahim Çeçen University



Assay Description
Kinetic studies were performed using the esterase activity method, with 4-nitrophenyl acetate (NPA) as substrate.


J Enzyme Inhib Med Chem 27: 880-5 (2012)


Article DOI: 10.3109/14756366.2011.637202
BindingDB Entry DOI: 10.7270/Q2VH5MRR
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50149238
PNG
(4-Hydroxybiphenyl | 4-Phenylphenol | 4-biphenylol ...)
Show SMILES Oc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C12H10O/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9,13H
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1.23E+4n/an/an/an/an/an/an/an/a



Agri Ibrahim Çeçen University



Assay Description
Kinetic studies were performed using the esterase activity method, with 4-nitrophenyl acetate (NPA) as substrate.


J Enzyme Inhib Med Chem 27: 880-5 (2012)


Article DOI: 10.3109/14756366.2011.637202
BindingDB Entry DOI: 10.7270/Q2VH5MRR
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM10888
PNG
(1,2-benzoxazol-3-ylmethanesulfonamide | CHEMBL750 ...)
Show SMILES NS(=O)(=O)Cc1noc2ccccc12
Show InChI InChI=1S/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H2,9,11,12)
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1.48E+4n/an/an/an/an/an/an/an/a



Agri Ibrahim Çeçen University



Assay Description
Kinetic studies were performed using the esterase activity method, with 4-nitrophenyl acetate (NPA) as substrate.


J Enzyme Inhib Med Chem 27: 880-5 (2012)


Article DOI: 10.3109/14756366.2011.637202
BindingDB Entry DOI: 10.7270/Q2VH5MRR
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM237292
PNG
(Phenylmethanesulfonate (4))
Show SMILES CS(=O)(=O)Oc1ccccc1
Show InChI InChI=1S/C7H8O3S/c1-11(8,9)10-7-5-3-2-4-6-7/h2-6H,1H3
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1.54E+4n/an/an/an/an/an/an/an/a



Agri Ibrahim Çeçen University



Assay Description
Kinetic studies were performed using the esterase activity method, with 4-nitrophenyl acetate (NPA) as substrate.


J Enzyme Inhib Med Chem 27: 880-5 (2012)


Article DOI: 10.3109/14756366.2011.637202
BindingDB Entry DOI: 10.7270/Q2VH5MRR
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50149238
PNG
(4-Hydroxybiphenyl | 4-Phenylphenol | 4-biphenylol ...)
Show SMILES Oc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C12H10O/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9,13H
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1.95E+4n/an/an/an/an/an/an/an/a



Agri Ibrahim Çeçen University



Assay Description
Kinetic studies were performed using the esterase activity method, with 4-nitrophenyl acetate (NPA) as substrate.


J Enzyme Inhib Med Chem 27: 880-5 (2012)


Article DOI: 10.3109/14756366.2011.637202
BindingDB Entry DOI: 10.7270/Q2VH5MRR
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM237294
PNG
(1,4-Phenylene dimethanesulfonate (6))
Show SMILES CS(=O)(=O)Oc1ccc(OS(C)(=O)=O)cc1
Show InChI InChI=1S/C8H10O6S2/c1-15(9,10)13-7-3-5-8(6-4-7)14-16(2,11)12/h3-6H,1-2H3
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2.21E+4n/an/an/an/an/an/an/an/a



Agri Ibrahim Çeçen University



Assay Description
Kinetic studies were performed using the esterase activity method, with 4-nitrophenyl acetate (NPA) as substrate.


J Enzyme Inhib Med Chem 27: 880-5 (2012)


Article DOI: 10.3109/14756366.2011.637202
BindingDB Entry DOI: 10.7270/Q2VH5MRR
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM237293
PNG
(Biphenyl-4-ylmethanesulfonate (5))
Show SMILES CS(=O)(=O)Oc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C13H12O3S/c1-17(14,15)16-13-9-7-12(8-10-13)11-5-3-2-4-6-11/h2-10H,1H3
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2.65E+4n/an/an/an/an/an/an/an/a



Agri Ibrahim Çeçen University



Assay Description
Kinetic studies were performed using the esterase activity method, with 4-nitrophenyl acetate (NPA) as substrate.


J Enzyme Inhib Med Chem 27: 880-5 (2012)


Article DOI: 10.3109/14756366.2011.637202
BindingDB Entry DOI: 10.7270/Q2VH5MRR
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM237292
PNG
(Phenylmethanesulfonate (4))
Show SMILES CS(=O)(=O)Oc1ccccc1
Show InChI InChI=1S/C7H8O3S/c1-11(8,9)10-7-5-3-2-4-6-7/h2-6H,1H3
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2.74E+4n/an/an/an/an/an/an/an/a



Agri Ibrahim Çeçen University



Assay Description
Kinetic studies were performed using the esterase activity method, with 4-nitrophenyl acetate (NPA) as substrate.


J Enzyme Inhib Med Chem 27: 880-5 (2012)


Article DOI: 10.3109/14756366.2011.637202
BindingDB Entry DOI: 10.7270/Q2VH5MRR
More data for this
Ligand-Target Pair
Carbonic anhydrase 6


(Homo sapiens (Human))
BDBM237294
PNG
(1,4-Phenylene dimethanesulfonate (6))
Show SMILES CS(=O)(=O)Oc1ccc(OS(C)(=O)=O)cc1
Show InChI InChI=1S/C8H10O6S2/c1-15(9,10)13-7-3-5-8(6-4-7)14-16(2,11)12/h3-6H,1-2H3
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2.84E+4n/an/an/an/an/an/an/an/a



Agri Ibrahim Çeçen University



Assay Description
Kinetic studies were performed using the esterase activity method, with 4-nitrophenyl acetate (NPA) as substrate.


J Enzyme Inhib Med Chem 27: 880-5 (2012)


Article DOI: 10.3109/14756366.2011.637202
BindingDB Entry DOI: 10.7270/Q2VH5MRR
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM237296
PNG
(1,2-Phenylenedimethanesulfonate (13))
Show SMILES CS(=O)(=O)Oc1ccccc1OS(C)(=O)=O
Show InChI InChI=1S/C8H10O6S2/c1-15(9,10)13-7-5-3-4-6-8(7)14-16(2,11)12/h3-6H,1-2H3
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2.85E+4n/an/an/an/an/an/an/an/a



Agri Ibrahim Çeçen University



Assay Description
Kinetic studies were performed using the esterase activity method, with 4-nitrophenyl acetate (NPA) as substrate.


J Enzyme Inhib Med Chem 27: 880-5 (2012)


Article DOI: 10.3109/14756366.2011.637202
BindingDB Entry DOI: 10.7270/Q2VH5MRR
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM237295
PNG
(Benzene-1,2,3-triyltrimethanesulfonate (11))
Show SMILES CS(=O)(=O)Oc1cccc(OS(C)(=O)=O)c1OS(C)(=O)=O
Show InChI InChI=1S/C9H12O9S3/c1-19(10,11)16-7-5-4-6-8(17-20(2,12)13)9(7)18-21(3,14)15/h4-6H,1-3H3
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3.54E+4n/an/an/an/an/an/an/an/a



Agri Ibrahim Çeçen University



Assay Description
Kinetic studies were performed using the esterase activity method, with 4-nitrophenyl acetate (NPA) as substrate.


J Enzyme Inhib Med Chem 27: 880-5 (2012)


Article DOI: 10.3109/14756366.2011.637202
BindingDB Entry DOI: 10.7270/Q2VH5MRR
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/an/an/a



Agri Ibrahim Çeçen University



Assay Description
Kinetic studies were performed using the esterase activity method, with 4-nitrophenyl acetate (NPA) as substrate.


J Enzyme Inhib Med Chem 27: 880-5 (2012)


Article DOI: 10.3109/14756366.2011.637202
BindingDB Entry DOI: 10.7270/Q2VH5MRR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM10888
PNG
(1,2-benzoxazol-3-ylmethanesulfonamide | CHEMBL750 ...)
Show SMILES NS(=O)(=O)Cc1noc2ccccc12
Show InChI InChI=1S/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H2,9,11,12)
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3.85E+4n/an/an/an/an/an/an/an/a



Agri Ibrahim Çeçen University



Assay Description
Kinetic studies were performed using the esterase activity method, with 4-nitrophenyl acetate (NPA) as substrate.


J Enzyme Inhib Med Chem 27: 880-5 (2012)


Article DOI: 10.3109/14756366.2011.637202
BindingDB Entry DOI: 10.7270/Q2VH5MRR
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM237296
PNG
(1,2-Phenylenedimethanesulfonate (13))
Show SMILES CS(=O)(=O)Oc1ccccc1OS(C)(=O)=O
Show InChI InChI=1S/C8H10O6S2/c1-15(9,10)13-7-5-3-4-6-8(7)14-16(2,11)12/h3-6H,1-2H3
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4.16E+4n/an/an/an/an/an/an/an/a



Agri Ibrahim Çeçen University



Assay Description
Kinetic studies were performed using the esterase activity method, with 4-nitrophenyl acetate (NPA) as substrate.


J Enzyme Inhib Med Chem 27: 880-5 (2012)


Article DOI: 10.3109/14756366.2011.637202
BindingDB Entry DOI: 10.7270/Q2VH5MRR
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM237295
PNG
(Benzene-1,2,3-triyltrimethanesulfonate (11))
Show SMILES CS(=O)(=O)Oc1cccc(OS(C)(=O)=O)c1OS(C)(=O)=O
Show InChI InChI=1S/C9H12O9S3/c1-19(10,11)16-7-5-4-6-8(17-20(2,12)13)9(7)18-21(3,14)15/h4-6H,1-3H3
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4.51E+4n/an/an/an/an/an/an/an/a



Agri Ibrahim Çeçen University



Assay Description
Kinetic studies were performed using the esterase activity method, with 4-nitrophenyl acetate (NPA) as substrate.


J Enzyme Inhib Med Chem 27: 880-5 (2012)


Article DOI: 10.3109/14756366.2011.637202
BindingDB Entry DOI: 10.7270/Q2VH5MRR
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM237293
PNG
(Biphenyl-4-ylmethanesulfonate (5))
Show SMILES CS(=O)(=O)Oc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C13H12O3S/c1-17(14,15)16-13-9-7-12(8-10-13)11-5-3-2-4-6-11/h2-10H,1H3
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4.85E+4n/an/an/an/an/an/an/an/a



Agri Ibrahim Çeçen University



Assay Description
Kinetic studies were performed using the esterase activity method, with 4-nitrophenyl acetate (NPA) as substrate.


J Enzyme Inhib Med Chem 27: 880-5 (2012)


Article DOI: 10.3109/14756366.2011.637202
BindingDB Entry DOI: 10.7270/Q2VH5MRR
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM237297
PNG
(Vanillin (14))
Show SMILES COC1CC(CCC1O)C=O
Show InChI InChI=1S/C8H14O3/c1-11-8-4-6(5-9)2-3-7(8)10/h5-8,10H,2-4H2,1H3
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5.57E+4n/an/an/an/an/an/an/an/a



Agri Ibrahim Çeçen University



Assay Description
Kinetic studies were performed using the esterase activity method, with 4-nitrophenyl acetate (NPA) as substrate.


J Enzyme Inhib Med Chem 27: 880-5 (2012)


Article DOI: 10.3109/14756366.2011.637202
BindingDB Entry DOI: 10.7270/Q2VH5MRR
More data for this
Ligand-Target Pair
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