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Compile Data Set for Download or QSAR

Found 73 hits with Last Name = 'akincioglu' and Initial = 'a'   
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
Acetylcholinesterase


(Homo sapiens (human))
BDBM50093588
PNG
(CHEMBL3585776)
Show SMILES COc1ccc(cc1)C(C)NS(=O)(=O)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C17H20N2O5S/c1-13(15-8-10-16(23-2)11-9-15)18-25(21,22)19-17(20)24-12-14-6-4-3-5-7-14/h3-11,13,18H,12H2,1-2H3,(H,19,20)
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4.5n/an/an/an/an/an/an/an/a



AgriIbrahim£e£en University

Curated by ChEMBL


Assay Description
Inhibition of esterase activity of carbonic anhydrase 2 in human erythrocytes using PNF as substrate by spectrophotometer analysis


Bioorg Med Chem 23: 3592-602 (2015)


Article DOI: 10.1016/j.bmc.2015.04.019
BindingDB Entry DOI: 10.7270/Q2J104XP
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50093582
PNG
(CHEMBL3585782)
Show SMILES COc1ccc(cc1OC)C(C)NS(N)(=O)=O
Show InChI InChI=1S/C10H16N2O4S/c1-7(12-17(11,13)14)8-4-5-9(15-2)10(6-8)16-3/h4-7,12H,1-3H3,(H2,11,13,14)
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4.90n/an/an/an/an/an/an/an/a



AgriIbrahim£e£en University

Curated by ChEMBL


Assay Description
Inhibition of esterase activity of carbonic anhydrase 1 in human erythrocytes using PNF as substrate by spectrophotometer analysis


Bioorg Med Chem 23: 3592-602 (2015)


Article DOI: 10.1016/j.bmc.2015.04.019
BindingDB Entry DOI: 10.7270/Q2J104XP
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50093587
PNG
(CHEMBL3585777)
Show SMILES COc1ccc(cc1OC)C(C)NS(=O)(=O)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C18H22N2O6S/c1-13(15-9-10-16(24-2)17(11-15)25-3)19-27(22,23)20-18(21)26-12-14-7-5-4-6-8-14/h4-11,13,19H,12H2,1-3H3,(H,20,21)
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5.10n/an/an/an/an/an/an/an/a



AgriIbrahim£e£en University

Curated by ChEMBL


Assay Description
Inhibition of esterase activity of carbonic anhydrase 2 in human erythrocytes using PNF as substrate by spectrophotometer analysis


Bioorg Med Chem 23: 3592-602 (2015)


Article DOI: 10.1016/j.bmc.2015.04.019
BindingDB Entry DOI: 10.7270/Q2J104XP
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50093589
PNG
(CHEMBL3585775)
Show SMILES COc1ccccc1C(C)NS(=O)(=O)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C17H20N2O5S/c1-13(15-10-6-7-11-16(15)23-2)18-25(21,22)19-17(20)24-12-14-8-4-3-5-9-14/h3-11,13,18H,12H2,1-2H3,(H,19,20)
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5.60n/an/an/an/an/an/an/an/a



AgriIbrahim£e£en University

Curated by ChEMBL


Assay Description
Inhibition of esterase activity of carbonic anhydrase 2 in human erythrocytes using PNF as substrate by spectrophotometer analysis


Bioorg Med Chem 23: 3592-602 (2015)


Article DOI: 10.1016/j.bmc.2015.04.019
BindingDB Entry DOI: 10.7270/Q2J104XP
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50093581
PNG
(CHEMBL3585783)
Show SMILES COc1ccc(OC)c(c1)C(C)NS(N)(=O)=O
Show InChI InChI=1S/C10H16N2O4S/c1-7(12-17(11,13)14)9-6-8(15-2)4-5-10(9)16-3/h4-7,12H,1-3H3,(H2,11,13,14)
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5.60n/an/an/an/an/an/an/an/a



AgriIbrahim£e£en University

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase (unknown origin) assessed as AChI hydrolysis using AChI and DTNB as substrate by Ellman's method


Bioorg Med Chem 23: 3592-602 (2015)


Article DOI: 10.1016/j.bmc.2015.04.019
BindingDB Entry DOI: 10.7270/Q2J104XP
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50093583
PNG
(CHEMBL3585781)
Show SMILES COc1ccc(cc1)C(C)NS(N)(=O)=O
Show InChI InChI=1S/C9H14N2O3S/c1-7(11-15(10,12)13)8-3-5-9(14-2)6-4-8/h3-7,11H,1-2H3,(H2,10,12,13)
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6.30n/an/an/an/an/an/an/an/a



AgriIbrahim£e£en University

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase (unknown origin) assessed as AChI hydrolysis using AChI and DTNB as substrate by Ellman's method


Bioorg Med Chem 23: 3592-602 (2015)


Article DOI: 10.1016/j.bmc.2015.04.019
BindingDB Entry DOI: 10.7270/Q2J104XP
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50093597
PNG
(CHEMBL3585784)
Show SMILES COc1cccc(OC)c1C(C)NS(N)(=O)=O
Show InChI InChI=1S/C21H33NO2/c1-13(22-24)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,15-19,23-24H,5-12H2,1-3H3/b22-13-/t15?,16?,17-,18?,19?,20?,21?/m1/s1
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8.10n/an/an/an/an/an/an/an/a



AgriIbrahim£e£en University

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase (unknown origin) assessed as AChI hydrolysis using AChI and DTNB as substrate by Ellman's method


Bioorg Med Chem 23: 3592-602 (2015)


Article DOI: 10.1016/j.bmc.2015.04.019
BindingDB Entry DOI: 10.7270/Q2J104XP
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50093585
PNG
(CHEMBL3585779)
Show SMILES COc1cccc(OC)c1C(C)NS(=O)(=O)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C18H22N2O6S/c1-13(17-15(24-2)10-7-11-16(17)25-3)19-27(22,23)20-18(21)26-12-14-8-5-4-6-9-14/h4-11,13,19H,12H2,1-3H3,(H,20,21)
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11n/an/an/an/an/an/an/an/a



AgriIbrahim£e£en University

Curated by ChEMBL


Assay Description
Inhibition of esterase activity of carbonic anhydrase 1 in human erythrocytes using PNF as substrate by spectrophotometer analysis


Bioorg Med Chem 23: 3592-602 (2015)


Article DOI: 10.1016/j.bmc.2015.04.019
BindingDB Entry DOI: 10.7270/Q2J104XP
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50093586
PNG
(CHEMBL3585778)
Show SMILES COc1ccc(OC)c(c1)C(C)NS(=O)(=O)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C18H22N2O6S/c1-13(16-11-15(24-2)9-10-17(16)25-3)19-27(22,23)20-18(21)26-12-14-7-5-4-6-8-14/h4-11,13,19H,12H2,1-3H3,(H,20,21)
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23n/an/an/an/an/an/an/an/a



AgriIbrahim£e£en University

Curated by ChEMBL


Assay Description
Inhibition of esterase activity of carbonic anhydrase 2 in human erythrocytes using PNF as substrate by spectrophotometer analysis


Bioorg Med Chem 23: 3592-602 (2015)


Article DOI: 10.1016/j.bmc.2015.04.019
BindingDB Entry DOI: 10.7270/Q2J104XP
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM10884
PNG
((2S,4S)-4-(ethylamino)-2-methyl-1,1-dioxo-2H,3H,4H...)
Show SMILES CCN[C@H]1C[C@H](C)S(=O)(=O)c2sc(cc12)S(N)(=O)=O
Show InChI InChI=1S/C10H16N2O4S3/c1-3-12-8-4-6(2)18(13,14)10-7(8)5-9(17-10)19(11,15)16/h5-6,8,12H,3-4H2,1-2H3,(H2,11,15,16)/t6-,8-/m0/s1
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25n/an/an/an/an/an/an/an/a



AgriIbrahim£e£en University

Curated by ChEMBL


Assay Description
Inhibition of esterase activity of carbonic anhydrase 1 in human erythrocytes using PNF as substrate by spectrophotometer analysis


Bioorg Med Chem 23: 3592-602 (2015)


Article DOI: 10.1016/j.bmc.2015.04.019
BindingDB Entry DOI: 10.7270/Q2J104XP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Acetylcholinesterase


(Homo sapiens (human))
BDBM50093584
PNG
(CHEMBL3585780)
Show SMILES COc1ccccc1C(C)NS(N)(=O)=O
Show InChI InChI=1S/C9H14N2O3S/c1-7(11-15(10,12)13)8-5-3-4-6-9(8)14-2/h3-7,11H,1-2H3,(H2,10,12,13)
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38n/an/an/an/an/an/an/an/a



AgriIbrahim£e£en University

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase (unknown origin) assessed as AChI hydrolysis using AChI and DTNB as substrate by Ellman's method


Bioorg Med Chem 23: 3592-602 (2015)


Article DOI: 10.1016/j.bmc.2015.04.019
BindingDB Entry DOI: 10.7270/Q2J104XP
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50093585
PNG
(CHEMBL3585779)
Show SMILES COc1cccc(OC)c1C(C)NS(=O)(=O)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C18H22N2O6S/c1-13(17-15(24-2)10-7-11-16(17)25-3)19-27(22,23)20-18(21)26-12-14-8-5-4-6-9-14/h4-11,13,19H,12H2,1-3H3,(H,20,21)
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46n/an/an/an/an/an/an/an/a



AgriIbrahim£e£en University

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase (unknown origin) assessed as AChI hydrolysis using AChI and DTNB as substrate by Ellman's method


Bioorg Med Chem 23: 3592-602 (2015)


Article DOI: 10.1016/j.bmc.2015.04.019
BindingDB Entry DOI: 10.7270/Q2J104XP
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50093587
PNG
(CHEMBL3585777)
Show SMILES COc1ccc(cc1OC)C(C)NS(=O)(=O)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C18H22N2O6S/c1-13(15-9-10-16(24-2)17(11-15)25-3)19-27(22,23)20-18(21)26-12-14-7-5-4-6-8-14/h4-11,13,19H,12H2,1-3H3,(H,20,21)
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48n/an/an/an/an/an/an/an/a



AgriIbrahim£e£en University

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase (unknown origin) assessed as AChI hydrolysis using AChI and DTNB as substrate by Ellman's method


Bioorg Med Chem 23: 3592-602 (2015)


Article DOI: 10.1016/j.bmc.2015.04.019
BindingDB Entry DOI: 10.7270/Q2J104XP
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50093586
PNG
(CHEMBL3585778)
Show SMILES COc1ccc(OC)c(c1)C(C)NS(=O)(=O)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C18H22N2O6S/c1-13(16-11-15(24-2)9-10-17(16)25-3)19-27(22,23)20-18(21)26-12-14-7-5-4-6-8-14/h4-11,13,19H,12H2,1-3H3,(H,20,21)
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49n/an/an/an/an/an/an/an/a



AgriIbrahim£e£en University

Curated by ChEMBL


Assay Description
Inhibition of esterase activity of carbonic anhydrase 2 in human erythrocytes using PNF as substrate by spectrophotometer analysis


Bioorg Med Chem 23: 3592-602 (2015)


Article DOI: 10.1016/j.bmc.2015.04.019
BindingDB Entry DOI: 10.7270/Q2J104XP
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50093589
PNG
(CHEMBL3585775)
Show SMILES COc1ccccc1C(C)NS(=O)(=O)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C17H20N2O5S/c1-13(15-10-6-7-11-16(15)23-2)18-25(21,22)19-17(20)24-12-14-8-4-3-5-9-14/h3-11,13,18H,12H2,1-2H3,(H,19,20)
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60n/an/an/an/an/an/an/an/a



AgriIbrahim£e£en University

Curated by ChEMBL


Assay Description
Inhibition of esterase activity of carbonic anhydrase 2 in human erythrocytes using PNF as substrate by spectrophotometer analysis


Bioorg Med Chem 23: 3592-602 (2015)


Article DOI: 10.1016/j.bmc.2015.04.019
BindingDB Entry DOI: 10.7270/Q2J104XP
More data for this
Ligand-Target Pair
Carbonic anhydrase


(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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61n/an/an/an/an/an/an/an/a



AgriIbrahim£e£en University

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase (unknown origin) assessed as AChI hydrolysis using AChI and DTNB as substrate by Ellman's method


Bioorg Med Chem 23: 3592-602 (2015)


Article DOI: 10.1016/j.bmc.2015.04.019
BindingDB Entry DOI: 10.7270/Q2J104XP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50093587
PNG
(CHEMBL3585777)
Show SMILES COc1ccc(cc1OC)C(C)NS(=O)(=O)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C18H22N2O6S/c1-13(15-9-10-16(24-2)17(11-15)25-3)19-27(22,23)20-18(21)26-12-14-7-5-4-6-8-14/h4-11,13,19H,12H2,1-3H3,(H,20,21)
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89n/an/an/an/an/an/an/an/a



AgriIbrahim£e£en University

Curated by ChEMBL


Assay Description
Inhibition of esterase activity of carbonic anhydrase 2 in human erythrocytes using PNF as substrate by spectrophotometer analysis


Bioorg Med Chem 23: 3592-602 (2015)


Article DOI: 10.1016/j.bmc.2015.04.019
BindingDB Entry DOI: 10.7270/Q2J104XP
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50093585
PNG
(CHEMBL3585779)
Show SMILES COc1cccc(OC)c1C(C)NS(=O)(=O)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C18H22N2O6S/c1-13(17-15(24-2)10-7-11-16(17)25-3)19-27(22,23)20-18(21)26-12-14-8-5-4-6-9-14/h4-11,13,19H,12H2,1-3H3,(H,20,21)
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105n/an/an/an/an/an/an/an/a



AgriIbrahim£e£en University

Curated by ChEMBL


Assay Description
Inhibition of esterase activity of carbonic anhydrase 1 in human erythrocytes using PNF as substrate by spectrophotometer analysis


Bioorg Med Chem 23: 3592-602 (2015)


Article DOI: 10.1016/j.bmc.2015.04.019
BindingDB Entry DOI: 10.7270/Q2J104XP
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50093589
PNG
(CHEMBL3585775)
Show SMILES COc1ccccc1C(C)NS(=O)(=O)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C17H20N2O5S/c1-13(15-10-6-7-11-16(15)23-2)18-25(21,22)19-17(20)24-12-14-8-4-3-5-9-14/h3-11,13,18H,12H2,1-2H3,(H,19,20)
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127n/an/an/an/an/an/an/an/a



AgriIbrahim£e£en University

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase (unknown origin) assessed as AChI hydrolysis using AChI and DTNB as substrate by Ellman's method


Bioorg Med Chem 23: 3592-602 (2015)


Article DOI: 10.1016/j.bmc.2015.04.019
BindingDB Entry DOI: 10.7270/Q2J104XP
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50093588
PNG
(CHEMBL3585776)
Show SMILES COc1ccc(cc1)C(C)NS(=O)(=O)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C17H20N2O5S/c1-13(15-8-10-16(23-2)11-9-15)18-25(21,22)19-17(20)24-12-14-6-4-3-5-7-14/h3-11,13,18H,12H2,1-2H3,(H,19,20)
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127n/an/an/an/an/an/an/an/a



AgriIbrahim£e£en University

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase (unknown origin) assessed as AChI hydrolysis using AChI and DTNB as substrate by Ellman's method


Bioorg Med Chem 23: 3592-602 (2015)


Article DOI: 10.1016/j.bmc.2015.04.019
BindingDB Entry DOI: 10.7270/Q2J104XP
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50093597
PNG
(CHEMBL3585784)
Show SMILES COc1cccc(OC)c1C(C)NS(N)(=O)=O
Show InChI InChI=1S/C21H33NO2/c1-13(22-24)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,15-19,23-24H,5-12H2,1-3H3/b22-13-/t15?,16?,17-,18?,19?,20?,21?/m1/s1
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137n/an/an/an/an/an/an/an/a



AgriIbrahim£e£en University

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase (unknown origin) assessed as AChI hydrolysis using AChI and DTNB as substrate by Ellman's method


Bioorg Med Chem 23: 3592-602 (2015)


Article DOI: 10.1016/j.bmc.2015.04.019
BindingDB Entry DOI: 10.7270/Q2J104XP
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50093586
PNG
(CHEMBL3585778)
Show SMILES COc1ccc(OC)c(c1)C(C)NS(=O)(=O)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C18H22N2O6S/c1-13(16-11-15(24-2)9-10-17(16)25-3)19-27(22,23)20-18(21)26-12-14-7-5-4-6-8-14/h4-11,13,19H,12H2,1-3H3,(H,20,21)
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140n/an/an/an/an/an/an/an/a



AgriIbrahim£e£en University

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase (unknown origin) assessed as AChI hydrolysis using AChI and DTNB as substrate by Ellman's method


Bioorg Med Chem 23: 3592-602 (2015)


Article DOI: 10.1016/j.bmc.2015.04.019
BindingDB Entry DOI: 10.7270/Q2J104XP
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50093588
PNG
(CHEMBL3585776)
Show SMILES COc1ccc(cc1)C(C)NS(=O)(=O)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C17H20N2O5S/c1-13(15-8-10-16(23-2)11-9-15)18-25(21,22)19-17(20)24-12-14-6-4-3-5-7-14/h3-11,13,18H,12H2,1-2H3,(H,19,20)
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156n/an/an/an/an/an/an/an/a



AgriIbrahim£e£en University

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase (unknown origin) assessed as AChI hydrolysis using AChI and DTNB as substrate by Ellman's method


Bioorg Med Chem 23: 3592-602 (2015)


Article DOI: 10.1016/j.bmc.2015.04.019
BindingDB Entry DOI: 10.7270/Q2J104XP
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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184n/an/an/an/an/an/an/an/a



AgriIbrahim£e£en University

Curated by ChEMBL


Assay Description
Inhibition of esterase activity of carbonic anhydrase 2 in human erythrocytes using PNF as substrate by spectrophotometer analysis


Bioorg Med Chem 23: 3592-602 (2015)


Article DOI: 10.1016/j.bmc.2015.04.019
BindingDB Entry DOI: 10.7270/Q2J104XP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50093584
PNG
(CHEMBL3585780)
Show SMILES COc1ccccc1C(C)NS(N)(=O)=O
Show InChI InChI=1S/C9H14N2O3S/c1-7(11-15(10,12)13)8-5-3-4-6-9(8)14-2/h3-7,11H,1-2H3,(H2,10,12,13)
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193n/an/an/an/an/an/an/an/a



AgriIbrahim£e£en University

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase (unknown origin) assessed as AChI hydrolysis using AChI and DTNB as substrate by Ellman's method


Bioorg Med Chem 23: 3592-602 (2015)


Article DOI: 10.1016/j.bmc.2015.04.019
BindingDB Entry DOI: 10.7270/Q2J104XP
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM10404
PNG
((1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetrac...)
Show SMILES COc1ccc2CN(C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24
Show InChI InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-/m0/s1
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250n/an/an/an/an/an/an/an/a



AgriIbrahim£e£en University

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase (unknown origin) assessed as AChI hydrolysis using AChI and DTNB as substrate by Ellman's method


Bioorg Med Chem 23: 3592-602 (2015)


Article DOI: 10.1016/j.bmc.2015.04.019
BindingDB Entry DOI: 10.7270/Q2J104XP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase


(Homo sapiens (human))
BDBM50093584
PNG
(CHEMBL3585780)
Show SMILES COc1ccccc1C(C)NS(N)(=O)=O
Show InChI InChI=1S/C9H14N2O3S/c1-7(11-15(10,12)13)8-5-3-4-6-9(8)14-2/h3-7,11H,1-2H3,(H2,10,12,13)
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275n/an/an/an/an/an/an/an/a



AgriIbrahim£e£en University

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase (unknown origin) assessed as AChI hydrolysis using AChI and DTNB as substrate by Ellman's method


Bioorg Med Chem 23: 3592-602 (2015)


Article DOI: 10.1016/j.bmc.2015.04.019
BindingDB Entry DOI: 10.7270/Q2J104XP
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50093581
PNG
(CHEMBL3585783)
Show SMILES COc1ccc(OC)c(c1)C(C)NS(N)(=O)=O
Show InChI InChI=1S/C10H16N2O4S/c1-7(12-17(11,13)14)9-6-8(15-2)4-5-10(9)16-3/h4-7,12H,1-3H3,(H2,11,13,14)
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384n/an/an/an/an/an/an/an/a



AgriIbrahim£e£en University

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase (unknown origin) assessed as AChI hydrolysis using AChI and DTNB as substrate by Ellman's method


Bioorg Med Chem 23: 3592-602 (2015)


Article DOI: 10.1016/j.bmc.2015.04.019
BindingDB Entry DOI: 10.7270/Q2J104XP
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50429927
PNG
(CHEMBL2333818)
Show SMILES NS(=O)(=O)NC1CCc2ccccc12
Show InChI InChI=1S/C9H12N2O2S/c10-14(12,13)11-9-6-5-7-3-1-2-4-8(7)9/h1-4,9,11H,5-6H2,(H2,10,12,13)
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450n/an/an/an/an/an/an/an/a



Atat£rk University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocytes esterase activity of carbonic anhydrase-1 using 4-nitrophenylacetate as substrate after 3 mins by Lineweaver-Burk pl...


Bioorg Med Chem 21: 1379-85 (2013)


Article DOI: 10.1016/j.bmc.2013.01.019
BindingDB Entry DOI: 10.7270/Q2K35W0K
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50093582
PNG
(CHEMBL3585782)
Show SMILES COc1ccc(cc1OC)C(C)NS(N)(=O)=O
Show InChI InChI=1S/C10H16N2O4S/c1-7(12-17(11,13)14)8-4-5-9(15-2)10(6-8)16-3/h4-7,12H,1-3H3,(H2,11,13,14)
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454n/an/an/an/an/an/an/an/a



AgriIbrahim£e£en University

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase (unknown origin) assessed as AChI hydrolysis using AChI and DTNB as substrate by Ellman's method


Bioorg Med Chem 23: 3592-602 (2015)


Article DOI: 10.1016/j.bmc.2015.04.019
BindingDB Entry DOI: 10.7270/Q2J104XP
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50093583
PNG
(CHEMBL3585781)
Show SMILES COc1ccc(cc1)C(C)NS(N)(=O)=O
Show InChI InChI=1S/C9H14N2O3S/c1-7(11-15(10,12)13)8-3-5-9(14-2)6-4-8/h3-7,11H,1-2H3,(H2,10,12,13)
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479n/an/an/an/an/an/an/an/a



AgriIbrahim£e£en University

Curated by ChEMBL


Assay Description
Inhibition of esterase activity of carbonic anhydrase 1 in human erythrocytes using PNF as substrate by spectrophotometer analysis


Bioorg Med Chem 23: 3592-602 (2015)


Article DOI: 10.1016/j.bmc.2015.04.019
BindingDB Entry DOI: 10.7270/Q2J104XP
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50093581
PNG
(CHEMBL3585783)
Show SMILES COc1ccc(OC)c(c1)C(C)NS(N)(=O)=O
Show InChI InChI=1S/C10H16N2O4S/c1-7(12-17(11,13)14)9-6-8(15-2)4-5-10(9)16-3/h4-7,12H,1-3H3,(H2,11,13,14)
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565n/an/an/an/an/an/an/an/a



AgriIbrahim£e£en University

Curated by ChEMBL


Assay Description
Inhibition of esterase activity of carbonic anhydrase 1 in human erythrocytes using PNF as substrate by spectrophotometer analysis


Bioorg Med Chem 23: 3592-602 (2015)


Article DOI: 10.1016/j.bmc.2015.04.019
BindingDB Entry DOI: 10.7270/Q2J104XP
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50093582
PNG
(CHEMBL3585782)
Show SMILES COc1ccc(cc1OC)C(C)NS(N)(=O)=O
Show InChI InChI=1S/C10H16N2O4S/c1-7(12-17(11,13)14)8-4-5-9(15-2)10(6-8)16-3/h4-7,12H,1-3H3,(H2,11,13,14)
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657n/an/an/an/an/an/an/an/a



AgriIbrahim£e£en University

Curated by ChEMBL


Assay Description
Inhibition of esterase activity of carbonic anhydrase 1 in human erythrocytes using PNF as substrate by spectrophotometer analysis


Bioorg Med Chem 23: 3592-602 (2015)


Article DOI: 10.1016/j.bmc.2015.04.019
BindingDB Entry DOI: 10.7270/Q2J104XP
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50093583
PNG
(CHEMBL3585781)
Show SMILES COc1ccc(cc1)C(C)NS(N)(=O)=O
Show InChI InChI=1S/C9H14N2O3S/c1-7(11-15(10,12)13)8-3-5-9(14-2)6-4-8/h3-7,11H,1-2H3,(H2,10,12,13)
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672n/an/an/an/an/an/an/an/a



AgriIbrahim£e£en University

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase (unknown origin) assessed as AChI hydrolysis using AChI and DTNB as substrate by Ellman's method


Bioorg Med Chem 23: 3592-602 (2015)


Article DOI: 10.1016/j.bmc.2015.04.019
BindingDB Entry DOI: 10.7270/Q2J104XP
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50093597
PNG
(CHEMBL3585784)
Show SMILES COc1cccc(OC)c1C(C)NS(N)(=O)=O
Show InChI InChI=1S/C21H33NO2/c1-13(22-24)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,15-19,23-24H,5-12H2,1-3H3/b22-13-/t15?,16?,17-,18?,19?,20?,21?/m1/s1
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688n/an/an/an/an/an/an/an/a



AgriIbrahim£e£en University

Curated by ChEMBL


Assay Description
Inhibition of esterase activity of carbonic anhydrase 1 in human erythrocytes using PNF as substrate by spectrophotometer analysis


Bioorg Med Chem 23: 3592-602 (2015)


Article DOI: 10.1016/j.bmc.2015.04.019
BindingDB Entry DOI: 10.7270/Q2J104XP
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50429927
PNG
(CHEMBL2333818)
Show SMILES NS(=O)(=O)NC1CCc2ccccc12
Show InChI InChI=1S/C9H12N2O2S/c10-14(12,13)11-9-6-5-7-3-1-2-4-8(7)9/h1-4,9,11H,5-6H2,(H2,10,12,13)
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1.07E+3n/an/an/an/an/an/an/an/a



Atat£rk University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocytes esterase activity of carbonic anhydrase-2 using 4-nitrophenylacetate as substrate after 3 mins by Lineweaver-Burk pl...


Bioorg Med Chem 21: 1379-85 (2013)


Article DOI: 10.1016/j.bmc.2013.01.019
BindingDB Entry DOI: 10.7270/Q2K35W0K
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50429929
PNG
(CHEMBL2333822)
Show SMILES NS(=O)(=O)NC1Cc2ccccc2C1
Show InChI InChI=1S/C9H12N2O2S/c10-14(12,13)11-9-5-7-3-1-2-4-8(7)6-9/h1-4,9,11H,5-6H2,(H2,10,12,13)
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1.28E+3n/an/an/an/an/an/an/an/a



Atat£rk University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocytes esterase activity of carbonic anhydrase-2 using 4-nitrophenylacetate as substrate after 3 mins by Lineweaver-Burk pl...


Bioorg Med Chem 21: 1379-85 (2013)


Article DOI: 10.1016/j.bmc.2013.01.019
BindingDB Entry DOI: 10.7270/Q2K35W0K
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50429929
PNG
(CHEMBL2333822)
Show SMILES NS(=O)(=O)NC1Cc2ccccc2C1
Show InChI InChI=1S/C9H12N2O2S/c10-14(12,13)11-9-5-7-3-1-2-4-8(7)6-9/h1-4,9,11H,5-6H2,(H2,10,12,13)
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1.54E+3n/an/an/an/an/an/an/an/a



Atat£rk University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocytes esterase activity of carbonic anhydrase-1 using 4-nitrophenylacetate as substrate after 3 mins by Lineweaver-Burk pl...


Bioorg Med Chem 21: 1379-85 (2013)


Article DOI: 10.1016/j.bmc.2013.01.019
BindingDB Entry DOI: 10.7270/Q2K35W0K
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM10884
PNG
((2S,4S)-4-(ethylamino)-2-methyl-1,1-dioxo-2H,3H,4H...)
Show SMILES CCN[C@H]1C[C@H](C)S(=O)(=O)c2sc(cc12)S(N)(=O)=O
Show InChI InChI=1S/C10H16N2O4S3/c1-3-12-8-4-6(2)18(13,14)10-7(8)5-9(17-10)19(11,15)16/h5-6,8,12H,3-4H2,1-2H3,(H2,11,15,16)/t6-,8-/m0/s1
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1.69E+3n/an/an/an/an/an/an/an/a



AgriIbrahim£e£en University

Curated by ChEMBL


Assay Description
Inhibition of esterase activity of carbonic anhydrase 1 in human erythrocytes using PNF as substrate by spectrophotometer analysis


Bioorg Med Chem 23: 3592-602 (2015)


Article DOI: 10.1016/j.bmc.2015.04.019
BindingDB Entry DOI: 10.7270/Q2J104XP
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50429926
PNG
(CHEMBL2333819)
Show SMILES COc1cccc2C(CCCc12)NS(N)(=O)=O
Show InChI InChI=1S/C11H16N2O3S/c1-16-11-7-3-4-8-9(11)5-2-6-10(8)13-17(12,14)15/h3-4,7,10,13H,2,5-6H2,1H3,(H2,12,14,15)
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3.09E+3n/an/an/an/an/an/an/an/a



Atat£rk University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocytes esterase activity of carbonic anhydrase-2 using 4-nitrophenylacetate as substrate after 3 mins by Lineweaver-Burk pl...


Bioorg Med Chem 21: 1379-85 (2013)


Article DOI: 10.1016/j.bmc.2013.01.019
BindingDB Entry DOI: 10.7270/Q2K35W0K
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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3.70E+3n/an/an/an/an/an/an/an/a



Atat£rk University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocytes esterase activity of carbonic anhydrase-2 using 4-nitrophenylacetate as substrate after 3 mins by Lineweaver-Burk pl...


Bioorg Med Chem 21: 1379-85 (2013)


Article DOI: 10.1016/j.bmc.2013.01.019
BindingDB Entry DOI: 10.7270/Q2K35W0K
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase


(Homo sapiens (human))
BDBM50429926
PNG
(CHEMBL2333819)
Show SMILES COc1cccc2C(CCCc12)NS(N)(=O)=O
Show InChI InChI=1S/C11H16N2O3S/c1-16-11-7-3-4-8-9(11)5-2-6-10(8)13-17(12,14)15/h3-4,7,10,13H,2,5-6H2,1H3,(H2,12,14,15)
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6.72E+3n/an/an/an/an/an/an/an/a



Atat£rk University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocytes esterase activity of carbonic anhydrase-1 using 4-nitrophenylacetate as substrate after 3 mins by Lineweaver-Burk pl...


Bioorg Med Chem 21: 1379-85 (2013)


Article DOI: 10.1016/j.bmc.2013.01.019
BindingDB Entry DOI: 10.7270/Q2K35W0K
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50429931
PNG
(CHEMBL2333820)
Show SMILES NS(=O)(=O)NC1CCc2ccccc2C1
Show InChI InChI=1S/C10H14N2O2S/c11-15(13,14)12-10-6-5-8-3-1-2-4-9(8)7-10/h1-4,10,12H,5-7H2,(H2,11,13,14)
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6.75E+3n/an/an/an/an/an/an/an/a



Atat£rk University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocytes esterase activity of carbonic anhydrase-2 using 4-nitrophenylacetate as substrate after 3 mins by Lineweaver-Burk pl...


Bioorg Med Chem 21: 1379-85 (2013)


Article DOI: 10.1016/j.bmc.2013.01.019
BindingDB Entry DOI: 10.7270/Q2K35W0K
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50429931
PNG
(CHEMBL2333820)
Show SMILES NS(=O)(=O)NC1CCc2ccccc2C1
Show InChI InChI=1S/C10H14N2O2S/c11-15(13,14)12-10-6-5-8-3-1-2-4-9(8)7-10/h1-4,10,12H,5-7H2,(H2,11,13,14)
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8.30E+3n/an/an/an/an/an/an/an/a



Atat£rk University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocytes esterase activity of carbonic anhydrase-1 using 4-nitrophenylacetate as substrate after 3 mins by Lineweaver-Burk pl...


Bioorg Med Chem 21: 1379-85 (2013)


Article DOI: 10.1016/j.bmc.2013.01.019
BindingDB Entry DOI: 10.7270/Q2K35W0K
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50429928
PNG
(CHEMBL2333817)
Show SMILES COc1cc2CCC(NS(N)(=O)=O)c2cc1OC
Show InChI InChI=1S/C11H16N2O4S/c1-16-10-5-7-3-4-9(13-18(12,14)15)8(7)6-11(10)17-2/h5-6,9,13H,3-4H2,1-2H3,(H2,12,14,15)
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8.86E+3n/an/an/an/an/an/an/an/a



Atat£rk University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocytes esterase activity of carbonic anhydrase-2 using 4-nitrophenylacetate as substrate after 3 mins by Lineweaver-Burk pl...


Bioorg Med Chem 21: 1379-85 (2013)


Article DOI: 10.1016/j.bmc.2013.01.019
BindingDB Entry DOI: 10.7270/Q2K35W0K
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50429928
PNG
(CHEMBL2333817)
Show SMILES COc1cc2CCC(NS(N)(=O)=O)c2cc1OC
Show InChI InChI=1S/C11H16N2O4S/c1-16-10-5-7-3-4-9(13-18(12,14)15)8(7)6-11(10)17-2/h5-6,9,13H,3-4H2,1-2H3,(H2,12,14,15)
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9.31E+3n/an/an/an/an/an/an/an/a



Atat£rk University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocytes esterase activity of carbonic anhydrase-1 using 4-nitrophenylacetate as substrate after 3 mins by Lineweaver-Burk pl...


Bioorg Med Chem 21: 1379-85 (2013)


Article DOI: 10.1016/j.bmc.2013.01.019
BindingDB Entry DOI: 10.7270/Q2K35W0K
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50429930
PNG
(CHEMBL2333821)
Show SMILES COc1cc2CC(Cc2cc1OC)NS(N)(=O)=O
Show InChI InChI=1S/C11H16N2O4S/c1-16-10-5-7-3-9(13-18(12,14)15)4-8(7)6-11(10)17-2/h5-6,9,13H,3-4H2,1-2H3,(H2,12,14,15)
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1.02E+4n/an/an/an/an/an/an/an/a



Atat£rk University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocytes esterase activity of carbonic anhydrase-1 using 4-nitrophenylacetate as substrate after 3 mins by Lineweaver-Burk pl...


Bioorg Med Chem 21: 1379-85 (2013)


Article DOI: 10.1016/j.bmc.2013.01.019
BindingDB Entry DOI: 10.7270/Q2K35W0K
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50429930
PNG
(CHEMBL2333821)
Show SMILES COc1cc2CC(Cc2cc1OC)NS(N)(=O)=O
Show InChI InChI=1S/C11H16N2O4S/c1-16-10-5-7-3-9(13-18(12,14)15)4-8(7)6-11(10)17-2/h5-6,9,13H,3-4H2,1-2H3,(H2,12,14,15)
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1.34E+4n/an/an/an/an/an/an/an/a



Atat£rk University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocytes esterase activity of carbonic anhydrase-2 using 4-nitrophenylacetate as substrate after 3 mins by Lineweaver-Burk pl...


Bioorg Med Chem 21: 1379-85 (2013)


Article DOI: 10.1016/j.bmc.2013.01.019
BindingDB Entry DOI: 10.7270/Q2K35W0K
More data for this
Ligand-Target Pair
Carbonic anhydrase


(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



Atat£rk University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocytes esterase activity of carbonic anhydrase-1 using 4-nitrophenylacetate as substrate after 3 mins by Lineweaver-Burk pl...


Bioorg Med Chem 21: 1379-85 (2013)


Article DOI: 10.1016/j.bmc.2013.01.019
BindingDB Entry DOI: 10.7270/Q2K35W0K
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase


(Homo sapiens (human))
BDBM246518
PNG
(N-(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)methane...)
Show SMILES COc1cc2CC(Cc2cc1OC)NS(C)(=O)=O
Show InChI InChI=1S/C12H17NO4S/c1-16-11-6-8-4-10(13-18(3,14)15)5-9(8)7-12(11)17-2/h6-7,10,13H,4-5H2,1-3H3
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4.60E+4n/a 2.66E+5n/an/an/an/an/an/a



Atatürk University



Assay Description
The effect of novel sulfonamides 28-33 on HCA isozyme activity was determined colorimetrically using CO2-hydration method of Wilbur and Anderson29 de...


J Enzyme Inhib Med Chem 29: 35-42 (2014)


Article DOI: 10.3109/14756366.2012.750311
BindingDB Entry DOI: 10.7270/Q2513X4M
More data for this
Ligand-Target Pair
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