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Compile Data Set for Download or QSAR

Found 45 hits with Last Name = 'akincioglu' and Initial = 'h'   
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))
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))
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))
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 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


(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
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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n/an/a 27n/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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n/an/a 27n/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))
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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n/an/a 27n/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))
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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n/an/a 27n/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))
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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n/an/a 27n/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))
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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n/an/a 27n/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))
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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n/an/a 27n/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))
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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n/an/a 27n/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))
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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n/an/a 27n/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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n/an/a 27n/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