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PubMed code 22172310

Compile data set for download or QSAR
Found 47 hits of Enzyme Inhibition Constant Data   
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


(Rattus norvegicus (rat))
BDBM50389608
PNG
(CHEMBL2069773 | CHEMBL2069795)
Show SMILES COc1ccc(cc1)[C@@H]1N(Oc2c(O)n(c(O)c12)-c1ccc(cc1)C(O)=O)c1ccc(C)cc1
Show InChI InChI=1S/C26H22N2O6/c1-15-3-9-19(10-4-15)28-22(16-7-13-20(33-2)14-8-16)21-23(34-28)25(30)27(24(21)29)18-11-5-17(6-12-18)26(31)32/h3-14,22,29-30H,1-2H3,(H,31,32)/t22-/m0/s1
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n/an/a 17.5n/an/an/an/an/an/a



Punjabi University

Curated by ChEMBL


Assay Description
Inhibition of AChE activity in rat brain homogenate using acetylthiocholine as substrate by Ellman's method


Bioorg Med Chem 20: 521-30 (2011)


Article DOI: 10.1016/j.bmc.2011.05.027
BindingDB Entry DOI: 10.7270/Q22B903F
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50389608
PNG
(CHEMBL2069773 | CHEMBL2069795)
Show SMILES COc1ccc(cc1)[C@@H]1N(Oc2c(O)n(c(O)c12)-c1ccc(cc1)C(O)=O)c1ccc(C)cc1
Show InChI InChI=1S/C26H22N2O6/c1-15-3-9-19(10-4-15)28-22(16-7-13-20(33-2)14-8-16)21-23(34-28)25(30)27(24(21)29)18-11-5-17(6-12-18)26(31)32/h3-14,22,29-30H,1-2H3,(H,31,32)/t22-/m0/s1
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n/an/a 18n/an/an/an/an/an/a



Punjabi University

Curated by ChEMBL


Assay Description
Inhibition of AChE activity in rat brain homogenate using acetylthiocholine as substrate by Ellman's method


Bioorg Med Chem 20: 521-30 (2011)


Article DOI: 10.1016/j.bmc.2011.05.027
BindingDB Entry DOI: 10.7270/Q22B903F
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50389612
PNG
(CHEMBL2069772 | CHEMBL2069794)
Show SMILES COc1cccc(c1)[C@@H]1N(Oc2c(O)n(c(O)c12)-c1ccc(cc1)C(O)=O)c1ccc(C)cc1
Show InChI InChI=1S/C26H22N2O6/c1-15-6-10-19(11-7-15)28-22(17-4-3-5-20(14-17)33-2)21-23(34-28)25(30)27(24(21)29)18-12-8-16(9-13-18)26(31)32/h3-14,22,29-30H,1-2H3,(H,31,32)/t22-/m0/s1
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n/an/a 18.8n/an/an/an/an/an/a



Punjabi University

Curated by ChEMBL


Assay Description
Inhibition of AChE activity in rat brain homogenate using acetylthiocholine as substrate by Ellman's method


Bioorg Med Chem 20: 521-30 (2011)


Article DOI: 10.1016/j.bmc.2011.05.027
BindingDB Entry DOI: 10.7270/Q22B903F
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50389621
PNG
(CHEMBL2069762 | CHEMBL2069784)
Show SMILES COc1ccc(cc1)[C@@H]1N(Oc2c(O)n(c(O)c12)-c1ccc(cc1)C(O)=O)c1ccccc1
Show InChI InChI=1S/C25H20N2O6/c1-32-19-13-9-15(10-14-19)21-20-22(33-27(21)18-5-3-2-4-6-18)24(29)26(23(20)28)17-11-7-16(8-12-17)25(30)31/h2-14,21,28-29H,1H3,(H,30,31)/t21-/m0/s1
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n/an/a 18.8n/an/an/an/an/an/a



Punjabi University

Curated by ChEMBL


Assay Description
Inhibition of AChE activity in rat brain homogenate using acetylthiocholine as substrate by Ellman's method


Bioorg Med Chem 20: 521-30 (2011)


Article DOI: 10.1016/j.bmc.2011.05.027
BindingDB Entry DOI: 10.7270/Q22B903F
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50389622
PNG
(CHEMBL2069761 | CHEMBL2069783)
Show SMILES COc1cccc(c1)[C@@H]1N(Oc2c(O)n(c(O)c12)-c1ccc(cc1)C(O)=O)c1ccccc1
Show InChI InChI=1S/C25H20N2O6/c1-32-19-9-5-6-16(14-19)21-20-22(33-27(21)18-7-3-2-4-8-18)24(29)26(23(20)28)17-12-10-15(11-13-17)25(30)31/h2-14,21,28-29H,1H3,(H,30,31)/t21-/m0/s1
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Punjabi University

Curated by ChEMBL


Assay Description
Inhibition of AChE activity in rat brain homogenate using acetylthiocholine as substrate by Ellman's method


Bioorg Med Chem 20: 521-30 (2011)


Article DOI: 10.1016/j.bmc.2011.05.027
BindingDB Entry DOI: 10.7270/Q22B903F
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50389613
PNG
(CHEMBL2069771 | CHEMBL2069793)
Show SMILES COc1ccccc1[C@@H]1N(Oc2c(O)n(c(O)c12)-c1ccc(cc1)C(O)=O)c1ccc(C)cc1
Show InChI InChI=1S/C26H22N2O6/c1-15-7-11-18(12-8-15)28-22(19-5-3-4-6-20(19)33-2)21-23(34-28)25(30)27(24(21)29)17-13-9-16(10-14-17)26(31)32/h3-14,22,29-30H,1-2H3,(H,31,32)/t22-/m0/s1
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Punjabi University

Curated by ChEMBL


Assay Description
Inhibition of AChE activity in rat brain homogenate using acetylthiocholine as substrate by Ellman's method


Bioorg Med Chem 20: 521-30 (2011)


Article DOI: 10.1016/j.bmc.2011.05.027
BindingDB Entry DOI: 10.7270/Q22B903F
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50389621
PNG
(CHEMBL2069762 | CHEMBL2069784)
Show SMILES COc1ccc(cc1)[C@@H]1N(Oc2c(O)n(c(O)c12)-c1ccc(cc1)C(O)=O)c1ccccc1
Show InChI InChI=1S/C25H20N2O6/c1-32-19-13-9-15(10-14-19)21-20-22(33-27(21)18-5-3-2-4-6-18)24(29)26(23(20)28)17-11-7-16(8-12-17)25(30)31/h2-14,21,28-29H,1H3,(H,30,31)/t21-/m0/s1
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Punjabi University

Curated by ChEMBL


Assay Description
Inhibition of AChE activity in rat brain homogenate using acetylthiocholine as substrate by Ellman's method


Bioorg Med Chem 20: 521-30 (2011)


Article DOI: 10.1016/j.bmc.2011.05.027
BindingDB Entry DOI: 10.7270/Q22B903F
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50389633
PNG
(CHEMBL2069770 | CHEMBL2069792)
Show SMILES Cc1ccc(cc1)N1Oc2c(O)n(c(O)c2[C@@H]1c1ccc(Cl)cc1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C25H19ClN2O5/c1-14-2-10-19(11-3-14)28-21(15-4-8-17(26)9-5-15)20-22(33-28)24(30)27(23(20)29)18-12-6-16(7-13-18)25(31)32/h2-13,21,29-30H,1H3,(H,31,32)/t21-/m0/s1
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Punjabi University

Curated by ChEMBL


Assay Description
Inhibition of AChE activity in rat brain homogenate using acetylthiocholine as substrate by Ellman's method


Bioorg Med Chem 20: 521-30 (2011)


Article DOI: 10.1016/j.bmc.2011.05.027
BindingDB Entry DOI: 10.7270/Q22B903F
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50389623
PNG
(CHEMBL2069760 | CHEMBL2069782)
Show SMILES COc1ccccc1[C@@H]1N(Oc2c(O)n(c(O)c12)-c1ccc(cc1)C(O)=O)c1ccccc1
Show InChI InChI=1S/C25H20N2O6/c1-32-19-10-6-5-9-18(19)21-20-22(33-27(21)17-7-3-2-4-8-17)24(29)26(23(20)28)16-13-11-15(12-14-16)25(30)31/h2-14,21,28-29H,1H3,(H,30,31)/t21-/m0/s1
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Punjabi University

Curated by ChEMBL


Assay Description
Inhibition of AChE activity in rat brain homogenate using acetylthiocholine as substrate by Ellman's method


Bioorg Med Chem 20: 521-30 (2011)


Article DOI: 10.1016/j.bmc.2011.05.027
BindingDB Entry DOI: 10.7270/Q22B903F
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50389624
PNG
(CHEMBL2069759 | CHEMBL2069781)
Show SMILES OC(=O)c1ccc(cc1)-n1c(O)c2ON([C@H](c2c1O)c1ccc(Cl)cc1)c1ccccc1
Show InChI InChI=1S/C24H17ClN2O5/c25-16-10-6-14(7-11-16)20-19-21(32-27(20)18-4-2-1-3-5-18)23(29)26(22(19)28)17-12-8-15(9-13-17)24(30)31/h1-13,20,28-29H,(H,30,31)/t20-/m0/s1
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Punjabi University

Curated by ChEMBL


Assay Description
Inhibition of AChE activity in rat brain homogenate using acetylthiocholine as substrate by Ellman's method


Bioorg Med Chem 20: 521-30 (2011)


Article DOI: 10.1016/j.bmc.2011.05.027
BindingDB Entry DOI: 10.7270/Q22B903F
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50389612
PNG
(CHEMBL2069772 | CHEMBL2069794)
Show SMILES COc1cccc(c1)[C@@H]1N(Oc2c(O)n(c(O)c12)-c1ccc(cc1)C(O)=O)c1ccc(C)cc1
Show InChI InChI=1S/C26H22N2O6/c1-15-6-10-19(11-7-15)28-22(17-4-3-5-20(14-17)33-2)21-23(34-28)25(30)27(24(21)29)18-12-8-16(9-13-18)26(31)32/h3-14,22,29-30H,1-2H3,(H,31,32)/t22-/m0/s1
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Punjabi University

Curated by ChEMBL


Assay Description
Inhibition of AChE activity in rat brain homogenate using acetylthiocholine as substrate by Ellman's method


Bioorg Med Chem 20: 521-30 (2011)


Article DOI: 10.1016/j.bmc.2011.05.027
BindingDB Entry DOI: 10.7270/Q22B903F
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50389625
PNG
(CHEMBL2069758 | CHEMBL2069780)
Show SMILES OC(=O)c1ccc(cc1)-n1c(O)c2ON([C@H](c2c1O)c1cccc(Cl)c1)c1ccccc1
Show InChI InChI=1S/C24H17ClN2O5/c25-16-6-4-5-15(13-16)20-19-21(32-27(20)18-7-2-1-3-8-18)23(29)26(22(19)28)17-11-9-14(10-12-17)24(30)31/h1-13,20,28-29H,(H,30,31)/t20-/m0/s1
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n/an/a 20.1n/an/an/an/an/an/a



Punjabi University

Curated by ChEMBL


Assay Description
Inhibition of AChE activity in rat brain homogenate using acetylthiocholine as substrate by Ellman's method


Bioorg Med Chem 20: 521-30 (2011)


Article DOI: 10.1016/j.bmc.2011.05.027
BindingDB Entry DOI: 10.7270/Q22B903F
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50389613
PNG
(CHEMBL2069771 | CHEMBL2069793)
Show SMILES COc1ccccc1[C@@H]1N(Oc2c(O)n(c(O)c12)-c1ccc(cc1)C(O)=O)c1ccc(C)cc1
Show InChI InChI=1S/C26H22N2O6/c1-15-7-11-18(12-8-15)28-22(19-5-3-4-6-20(19)33-2)21-23(34-28)25(30)27(24(21)29)17-13-9-16(10-14-17)26(31)32/h3-14,22,29-30H,1-2H3,(H,31,32)/t22-/m0/s1
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Punjabi University

Curated by ChEMBL


Assay Description
Inhibition of AChE activity in rat brain homogenate using acetylthiocholine as substrate by Ellman's method


Bioorg Med Chem 20: 521-30 (2011)


Article DOI: 10.1016/j.bmc.2011.05.027
BindingDB Entry DOI: 10.7270/Q22B903F
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50389633
PNG
(CHEMBL2069770 | CHEMBL2069792)
Show SMILES Cc1ccc(cc1)N1Oc2c(O)n(c(O)c2[C@@H]1c1ccc(Cl)cc1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C25H19ClN2O5/c1-14-2-10-19(11-3-14)28-21(15-4-8-17(26)9-5-15)20-22(33-28)24(30)27(23(20)29)18-12-6-16(7-13-18)25(31)32/h2-13,21,29-30H,1H3,(H,31,32)/t21-/m0/s1
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Punjabi University

Curated by ChEMBL


Assay Description
Inhibition of AChE activity in rat brain homogenate using acetylthiocholine as substrate by Ellman's method


Bioorg Med Chem 20: 521-30 (2011)


Article DOI: 10.1016/j.bmc.2011.05.027
BindingDB Entry DOI: 10.7270/Q22B903F
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50389622
PNG
(CHEMBL2069761 | CHEMBL2069783)
Show SMILES COc1cccc(c1)[C@@H]1N(Oc2c(O)n(c(O)c12)-c1ccc(cc1)C(O)=O)c1ccccc1
Show InChI InChI=1S/C25H20N2O6/c1-32-19-9-5-6-16(14-19)21-20-22(33-27(21)18-7-3-2-4-8-18)24(29)26(23(20)28)17-12-10-15(11-13-17)25(30)31/h2-14,21,28-29H,1H3,(H,30,31)/t21-/m0/s1
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Punjabi University

Curated by ChEMBL


Assay Description
Inhibition of AChE activity in rat brain homogenate using acetylthiocholine as substrate by Ellman's method


Bioorg Med Chem 20: 521-30 (2011)


Article DOI: 10.1016/j.bmc.2011.05.027
BindingDB Entry DOI: 10.7270/Q22B903F
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50389623
PNG
(CHEMBL2069760 | CHEMBL2069782)
Show SMILES COc1ccccc1[C@@H]1N(Oc2c(O)n(c(O)c12)-c1ccc(cc1)C(O)=O)c1ccccc1
Show InChI InChI=1S/C25H20N2O6/c1-32-19-10-6-5-9-18(19)21-20-22(33-27(21)17-7-3-2-4-8-17)24(29)26(23(20)28)16-13-11-15(12-14-16)25(30)31/h2-14,21,28-29H,1H3,(H,30,31)/t21-/m0/s1
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Punjabi University

Curated by ChEMBL


Assay Description
Inhibition of AChE activity in rat brain homogenate using acetylthiocholine as substrate by Ellman's method


Bioorg Med Chem 20: 521-30 (2011)


Article DOI: 10.1016/j.bmc.2011.05.027
BindingDB Entry DOI: 10.7270/Q22B903F
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50389624
PNG
(CHEMBL2069759 | CHEMBL2069781)
Show SMILES OC(=O)c1ccc(cc1)-n1c(O)c2ON([C@H](c2c1O)c1ccc(Cl)cc1)c1ccccc1
Show InChI InChI=1S/C24H17ClN2O5/c25-16-10-6-14(7-11-16)20-19-21(32-27(20)18-4-2-1-3-5-18)23(29)26(22(19)28)17-12-8-15(9-13-17)24(30)31/h1-13,20,28-29H,(H,30,31)/t20-/m0/s1
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n/an/a 20.9n/an/an/an/an/an/a



Punjabi University

Curated by ChEMBL


Assay Description
Inhibition of AChE activity in rat brain homogenate using acetylthiocholine as substrate by Ellman's method


Bioorg Med Chem 20: 521-30 (2011)


Article DOI: 10.1016/j.bmc.2011.05.027
BindingDB Entry DOI: 10.7270/Q22B903F
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50389615
PNG
(CHEMBL2069768 | CHEMBL2069790)
Show SMILES Cc1ccc(cc1)N1Oc2c(O)n(c(O)c2[C@@H]1c1ccccc1Cl)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C25H19ClN2O5/c1-14-6-10-17(11-7-14)28-21(18-4-2-3-5-19(18)26)20-22(33-28)24(30)27(23(20)29)16-12-8-15(9-13-16)25(31)32/h2-13,21,29-30H,1H3,(H,31,32)/t21-/m0/s1
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Punjabi University

Curated by ChEMBL


Assay Description
Inhibition of AChE activity in rat brain homogenate using acetylthiocholine as substrate by Ellman's method


Bioorg Med Chem 20: 521-30 (2011)


Article DOI: 10.1016/j.bmc.2011.05.027
BindingDB Entry DOI: 10.7270/Q22B903F
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM8960
PNG
((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3
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n/an/a 21.5n/an/an/an/an/an/a



Punjabi University

Curated by ChEMBL


Assay Description
Inhibition of AChE activity in rat brain homogenate using acetylthiocholine as substrate by Ellman's method


Bioorg Med Chem 20: 521-30 (2011)


Article DOI: 10.1016/j.bmc.2011.05.027
BindingDB Entry DOI: 10.7270/Q22B903F
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50389626
PNG
(CHEMBL2069313 | CHEMBL2069779)
Show SMILES OC(=O)c1ccc(cc1)-n1c(O)c2ON([C@H](c2c1O)c1ccccc1Cl)c1ccccc1
Show InChI InChI=1S/C24H17ClN2O5/c25-18-9-5-4-8-17(18)20-19-21(32-27(20)16-6-2-1-3-7-16)23(29)26(22(19)28)15-12-10-14(11-13-15)24(30)31/h1-13,20,28-29H,(H,30,31)/t20-/m0/s1
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n/an/a 21.8n/an/an/an/an/an/a



Punjabi University

Curated by ChEMBL


Assay Description
Inhibition of AChE activity in rat brain homogenate using acetylthiocholine as substrate by Ellman's method


Bioorg Med Chem 20: 521-30 (2011)


Article DOI: 10.1016/j.bmc.2011.05.027
BindingDB Entry DOI: 10.7270/Q22B903F
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50389625
PNG
(CHEMBL2069758 | CHEMBL2069780)
Show SMILES OC(=O)c1ccc(cc1)-n1c(O)c2ON([C@H](c2c1O)c1cccc(Cl)c1)c1ccccc1
Show InChI InChI=1S/C24H17ClN2O5/c25-16-6-4-5-15(13-16)20-19-21(32-27(20)18-7-2-1-3-8-18)23(29)26(22(19)28)17-11-9-14(10-12-17)24(30)31/h1-13,20,28-29H,(H,30,31)/t20-/m0/s1
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n/an/a 21.8n/an/an/an/an/an/a



Punjabi University

Curated by ChEMBL


Assay Description
Inhibition of AChE activity in rat brain homogenate using acetylthiocholine as substrate by Ellman's method


Bioorg Med Chem 20: 521-30 (2011)


Article DOI: 10.1016/j.bmc.2011.05.027
BindingDB Entry DOI: 10.7270/Q22B903F
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50389616
PNG
(CHEMBL2069767 | CHEMBL2069789)
Show SMILES Cc1ccc(cc1)N1Oc2c(O)n(c(O)c2[C@@H]1c1ccc(O)cc1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C25H20N2O6/c1-14-2-8-18(9-3-14)27-21(15-6-12-19(28)13-7-15)20-22(33-27)24(30)26(23(20)29)17-10-4-16(5-11-17)25(31)32/h2-13,21,28-30H,1H3,(H,31,32)/t21-/m0/s1
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n/an/a 21.9n/an/an/an/an/an/a



Punjabi University

Curated by ChEMBL


Assay Description
Inhibition of AChE activity in rat brain homogenate using acetylthiocholine as substrate by Ellman's method


Bioorg Med Chem 20: 521-30 (2011)


Article DOI: 10.1016/j.bmc.2011.05.027
BindingDB Entry DOI: 10.7270/Q22B903F
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50389615
PNG
(CHEMBL2069768 | CHEMBL2069790)
Show SMILES Cc1ccc(cc1)N1Oc2c(O)n(c(O)c2[C@@H]1c1ccccc1Cl)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C25H19ClN2O5/c1-14-6-10-17(11-7-14)28-21(18-4-2-3-5-19(18)26)20-22(33-28)24(30)27(23(20)29)16-12-8-15(9-13-16)25(31)32/h2-13,21,29-30H,1H3,(H,31,32)/t21-/m0/s1
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n/an/a 22.1n/an/an/an/an/an/a



Punjabi University

Curated by ChEMBL


Assay Description
Inhibition of AChE activity in rat brain homogenate using acetylthiocholine as substrate by Ellman's method


Bioorg Med Chem 20: 521-30 (2011)


Article DOI: 10.1016/j.bmc.2011.05.027
BindingDB Entry DOI: 10.7270/Q22B903F
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50389614
PNG
(CHEMBL2069769 | CHEMBL2069791)
Show SMILES Cc1ccc(cc1)N1Oc2c(O)n(c(O)c2[C@@H]1c1cccc(Cl)c1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C25H19ClN2O5/c1-14-5-9-19(10-6-14)28-21(16-3-2-4-17(26)13-16)20-22(33-28)24(30)27(23(20)29)18-11-7-15(8-12-18)25(31)32/h2-13,21,29-30H,1H3,(H,31,32)/t21-/m0/s1
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n/an/a 22.2n/an/an/an/an/an/a



Punjabi University

Curated by ChEMBL


Assay Description
Inhibition of AChE activity in rat brain homogenate using acetylthiocholine as substrate by Ellman's method


Bioorg Med Chem 20: 521-30 (2011)


Article DOI: 10.1016/j.bmc.2011.05.027
BindingDB Entry DOI: 10.7270/Q22B903F
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50389626
PNG
(CHEMBL2069313 | CHEMBL2069779)
Show SMILES OC(=O)c1ccc(cc1)-n1c(O)c2ON([C@H](c2c1O)c1ccccc1Cl)c1ccccc1
Show InChI InChI=1S/C24H17ClN2O5/c25-18-9-5-4-8-17(18)20-19-21(32-27(20)16-6-2-1-3-7-16)23(29)26(22(19)28)15-12-10-14(11-13-15)24(30)31/h1-13,20,28-29H,(H,30,31)/t20-/m0/s1
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n/an/a 22.4n/an/an/an/an/an/a



Punjabi University

Curated by ChEMBL


Assay Description
Inhibition of AChE activity in rat brain homogenate using acetylthiocholine as substrate by Ellman's method


Bioorg Med Chem 20: 521-30 (2011)


Article DOI: 10.1016/j.bmc.2011.05.027
BindingDB Entry DOI: 10.7270/Q22B903F
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50389618
PNG
(CHEMBL2069765 | CHEMBL2069787)
Show SMILES Cc1ccc(cc1)N1Oc2c(O)n(c(O)c2[C@@H]1c1ccccc1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C25H20N2O5/c1-15-7-11-19(12-8-15)27-21(16-5-3-2-4-6-16)20-22(32-27)24(29)26(23(20)28)18-13-9-17(10-14-18)25(30)31/h2-14,21,28-29H,1H3,(H,30,31)/t21-/m0/s1
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n/an/a 22.4n/an/an/an/an/an/a



Punjabi University

Curated by ChEMBL


Assay Description
Inhibition of AChE activity in rat brain homogenate using acetylthiocholine as substrate by Ellman's method


Bioorg Med Chem 20: 521-30 (2011)


Article DOI: 10.1016/j.bmc.2011.05.027
BindingDB Entry DOI: 10.7270/Q22B903F
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50389627
PNG
(CHEMBL2069647 | CHEMBL2069778)
Show SMILES OC(=O)c1ccc(cc1)-n1c(O)c2ON([C@H](c2c1O)c1ccc(O)cc1)c1ccccc1
Show InChI InChI=1S/C24H18N2O6/c27-18-12-8-14(9-13-18)20-19-21(32-26(20)17-4-2-1-3-5-17)23(29)25(22(19)28)16-10-6-15(7-11-16)24(30)31/h1-13,20,27-29H,(H,30,31)/t20-/m0/s1
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Punjabi University

Curated by ChEMBL


Assay Description
Inhibition of AChE activity in rat brain homogenate using acetylthiocholine as substrate by Ellman's method


Bioorg Med Chem 20: 521-30 (2011)


Article DOI: 10.1016/j.bmc.2011.05.027
BindingDB Entry DOI: 10.7270/Q22B903F
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50389616
PNG
(CHEMBL2069767 | CHEMBL2069789)
Show SMILES Cc1ccc(cc1)N1Oc2c(O)n(c(O)c2[C@@H]1c1ccc(O)cc1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C25H20N2O6/c1-14-2-8-18(9-3-14)27-21(15-6-12-19(28)13-7-15)20-22(33-27)24(30)26(23(20)29)17-10-4-16(5-11-17)25(31)32/h2-13,21,28-30H,1H3,(H,31,32)/t21-/m0/s1
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n/an/a 22.5n/an/an/an/an/an/a



Punjabi University

Curated by ChEMBL


Assay Description
Inhibition of AChE activity in rat brain homogenate using acetylthiocholine as substrate by Ellman's method


Bioorg Med Chem 20: 521-30 (2011)


Article DOI: 10.1016/j.bmc.2011.05.027
BindingDB Entry DOI: 10.7270/Q22B903F
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50389627
PNG
(CHEMBL2069647 | CHEMBL2069778)
Show SMILES OC(=O)c1ccc(cc1)-n1c(O)c2ON([C@H](c2c1O)c1ccc(O)cc1)c1ccccc1
Show InChI InChI=1S/C24H18N2O6/c27-18-12-8-14(9-13-18)20-19-21(32-26(20)17-4-2-1-3-5-17)23(29)25(22(19)28)16-10-6-15(7-11-16)24(30)31/h1-13,20,27-29H,(H,30,31)/t20-/m0/s1
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n/an/a 22.7n/an/an/an/an/an/a



Punjabi University

Curated by ChEMBL


Assay Description
Inhibition of AChE activity in rat brain homogenate using acetylthiocholine as substrate by Ellman's method


Bioorg Med Chem 20: 521-30 (2011)


Article DOI: 10.1016/j.bmc.2011.05.027
BindingDB Entry DOI: 10.7270/Q22B903F
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50389618
PNG
(CHEMBL2069765 | CHEMBL2069787)
Show SMILES Cc1ccc(cc1)N1Oc2c(O)n(c(O)c2[C@@H]1c1ccccc1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C25H20N2O5/c1-15-7-11-19(12-8-15)27-21(16-5-3-2-4-6-16)20-22(32-27)24(29)26(23(20)28)18-13-9-17(10-14-18)25(30)31/h2-14,21,28-29H,1H3,(H,30,31)/t21-/m0/s1
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n/an/a 22.8n/an/an/an/an/an/a



Punjabi University

Curated by ChEMBL


Assay Description
Inhibition of AChE activity in rat brain homogenate using acetylthiocholine as substrate by Ellman's method


Bioorg Med Chem 20: 521-30 (2011)


Article DOI: 10.1016/j.bmc.2011.05.027
BindingDB Entry DOI: 10.7270/Q22B903F
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50389617
PNG
(CHEMBL2069766 | CHEMBL2069788)
Show SMILES Cc1ccc(cc1)N1Oc2c(O)n(c(O)c2[C@@H]1c1ccccc1O)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C25H20N2O6/c1-14-6-10-17(11-7-14)27-21(18-4-2-3-5-19(18)28)20-22(33-27)24(30)26(23(20)29)16-12-8-15(9-13-16)25(31)32/h2-13,21,28-30H,1H3,(H,31,32)/t21-/m0/s1
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n/an/a 23.2n/an/an/an/an/an/a



Punjabi University

Curated by ChEMBL


Assay Description
Inhibition of AChE activity in rat brain homogenate using acetylthiocholine as substrate by Ellman's method


Bioorg Med Chem 20: 521-30 (2011)


Article DOI: 10.1016/j.bmc.2011.05.027
BindingDB Entry DOI: 10.7270/Q22B903F
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50389609
PNG
(CHEMBL2069775 | CHEMBL2069797)
Show SMILES Cc1ccc(cc1)N1Oc2c(O)n(c(O)c2[C@@H]1c1ccc(cc1)[N+]([O-])=O)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C25H19N3O7/c1-14-2-8-18(9-3-14)27-21(15-4-12-19(13-5-15)28(33)34)20-22(35-27)24(30)26(23(20)29)17-10-6-16(7-11-17)25(31)32/h2-13,21,29-30H,1H3,(H,31,32)/t21-/m0/s1
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n/an/a 23.4n/an/an/an/an/an/a



Punjabi University

Curated by ChEMBL


Assay Description
Inhibition of AChE activity in rat brain homogenate using acetylthiocholine as substrate by Ellman's method


Bioorg Med Chem 20: 521-30 (2011)


Article DOI: 10.1016/j.bmc.2011.05.027
BindingDB Entry DOI: 10.7270/Q22B903F
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50389614
PNG
(CHEMBL2069769 | CHEMBL2069791)
Show SMILES Cc1ccc(cc1)N1Oc2c(O)n(c(O)c2[C@@H]1c1cccc(Cl)c1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C25H19ClN2O5/c1-14-5-9-19(10-6-14)28-21(16-3-2-4-17(26)13-16)20-22(33-28)24(30)27(23(20)29)18-11-7-15(8-12-18)25(31)32/h2-13,21,29-30H,1H3,(H,31,32)/t21-/m0/s1
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n/an/a 23.8n/an/an/an/an/an/a



Punjabi University

Curated by ChEMBL


Assay Description
Inhibition of AChE activity in rat brain homogenate using acetylthiocholine as substrate by Ellman's method


Bioorg Med Chem 20: 521-30 (2011)


Article DOI: 10.1016/j.bmc.2011.05.027
BindingDB Entry DOI: 10.7270/Q22B903F
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50389628
PNG
(CHEMBL2069646 | CHEMBL2069777)
Show SMILES OC(=O)c1ccc(cc1)-n1c(O)c2ON([C@H](c2c1O)c1ccccc1O)c1ccccc1
Show InChI InChI=1S/C24H18N2O6/c27-18-9-5-4-8-17(18)20-19-21(32-26(20)16-6-2-1-3-7-16)23(29)25(22(19)28)15-12-10-14(11-13-15)24(30)31/h1-13,20,27-29H,(H,30,31)/t20-/m0/s1
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n/an/a 23.9n/an/an/an/an/an/a



Punjabi University

Curated by ChEMBL


Assay Description
Inhibition of AChE activity in rat brain homogenate using acetylthiocholine as substrate by Ellman's method


Bioorg Med Chem 20: 521-30 (2011)


Article DOI: 10.1016/j.bmc.2011.05.027
BindingDB Entry DOI: 10.7270/Q22B903F
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50389629
PNG
(CHEMBL2069645 | CHEMBL2069776)
Show SMILES OC(=O)c1ccc(cc1)-n1c(O)c2ON([C@H](c2c1O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H18N2O5/c27-22-19-20(15-7-3-1-4-8-15)26(18-9-5-2-6-10-18)31-21(19)23(28)25(22)17-13-11-16(12-14-17)24(29)30/h1-14,20,27-28H,(H,29,30)/t20-/m0/s1
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n/an/a 23.9n/an/an/an/an/an/a



Punjabi University

Curated by ChEMBL


Assay Description
Inhibition of AChE activity in rat brain homogenate using acetylthiocholine as substrate by Ellman's method


Bioorg Med Chem 20: 521-30 (2011)


Article DOI: 10.1016/j.bmc.2011.05.027
BindingDB Entry DOI: 10.7270/Q22B903F
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50389617
PNG
(CHEMBL2069766 | CHEMBL2069788)
Show SMILES Cc1ccc(cc1)N1Oc2c(O)n(c(O)c2[C@@H]1c1ccccc1O)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C25H20N2O6/c1-14-6-10-17(11-7-14)27-21(18-4-2-3-5-19(18)28)20-22(33-27)24(30)26(23(20)29)16-12-8-15(9-13-16)25(31)32/h2-13,21,28-30H,1H3,(H,31,32)/t21-/m0/s1
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n/an/a 24.1n/an/an/an/an/an/a



Punjabi University

Curated by ChEMBL


Assay Description
Inhibition of AChE activity in rat brain homogenate using acetylthiocholine as substrate by Ellman's method


Bioorg Med Chem 20: 521-30 (2011)


Article DOI: 10.1016/j.bmc.2011.05.027
BindingDB Entry DOI: 10.7270/Q22B903F
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50389609
PNG
(CHEMBL2069775 | CHEMBL2069797)
Show SMILES Cc1ccc(cc1)N1Oc2c(O)n(c(O)c2[C@@H]1c1ccc(cc1)[N+]([O-])=O)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C25H19N3O7/c1-14-2-8-18(9-3-14)27-21(15-4-12-19(13-5-15)28(33)34)20-22(35-27)24(30)26(23(20)29)17-10-6-16(7-11-17)25(31)32/h2-13,21,29-30H,1H3,(H,31,32)/t21-/m0/s1
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n/an/a 24.1n/an/an/an/an/an/a



Punjabi University

Curated by ChEMBL


Assay Description
Inhibition of AChE activity in rat brain homogenate using acetylthiocholine as substrate by Ellman's method


Bioorg Med Chem 20: 521-30 (2011)


Article DOI: 10.1016/j.bmc.2011.05.027
BindingDB Entry DOI: 10.7270/Q22B903F
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50389610
PNG
(CHEMBL2069774 | CHEMBL2069796)
Show SMILES Cc1ccc(cc1)N1Oc2c(O)n(c(O)c2[C@@H]1c1ccccc1[N+]([O-])=O)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C25H19N3O7/c1-14-6-10-17(11-7-14)27-21(18-4-2-3-5-19(18)28(33)34)20-22(35-27)24(30)26(23(20)29)16-12-8-15(9-13-16)25(31)32/h2-13,21,29-30H,1H3,(H,31,32)/t21-/m0/s1
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n/an/a 24.3n/an/an/an/an/an/a



Punjabi University

Curated by ChEMBL


Assay Description
Inhibition of AChE activity in rat brain homogenate using acetylthiocholine as substrate by Ellman's method


Bioorg Med Chem 20: 521-30 (2011)


Article DOI: 10.1016/j.bmc.2011.05.027
BindingDB Entry DOI: 10.7270/Q22B903F
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50389629
PNG
(CHEMBL2069645 | CHEMBL2069776)
Show SMILES OC(=O)c1ccc(cc1)-n1c(O)c2ON([C@H](c2c1O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H18N2O5/c27-22-19-20(15-7-3-1-4-8-15)26(18-9-5-2-6-10-18)31-21(19)23(28)25(22)17-13-11-16(12-14-17)24(29)30/h1-14,20,27-28H,(H,29,30)/t20-/m0/s1
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n/an/a 24.4n/an/an/an/an/an/a



Punjabi University

Curated by ChEMBL


Assay Description
Inhibition of AChE activity in rat brain homogenate using acetylthiocholine as substrate by Ellman's method


Bioorg Med Chem 20: 521-30 (2011)


Article DOI: 10.1016/j.bmc.2011.05.027
BindingDB Entry DOI: 10.7270/Q22B903F
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50389628
PNG
(CHEMBL2069646 | CHEMBL2069777)
Show SMILES OC(=O)c1ccc(cc1)-n1c(O)c2ON([C@H](c2c1O)c1ccccc1O)c1ccccc1
Show InChI InChI=1S/C24H18N2O6/c27-18-9-5-4-8-17(18)20-19-21(32-26(20)16-6-2-1-3-7-16)23(29)25(22(19)28)15-12-10-14(11-13-15)24(30)31/h1-13,20,27-29H,(H,30,31)/t20-/m0/s1
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n/an/a 24.8n/an/an/an/an/an/a



Punjabi University

Curated by ChEMBL


Assay Description
Inhibition of AChE activity in rat brain homogenate using acetylthiocholine as substrate by Ellman's method


Bioorg Med Chem 20: 521-30 (2011)


Article DOI: 10.1016/j.bmc.2011.05.027
BindingDB Entry DOI: 10.7270/Q22B903F
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50389610
PNG
(CHEMBL2069774 | CHEMBL2069796)
Show SMILES Cc1ccc(cc1)N1Oc2c(O)n(c(O)c2[C@@H]1c1ccccc1[N+]([O-])=O)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C25H19N3O7/c1-14-6-10-17(11-7-14)27-21(18-4-2-3-5-19(18)28(33)34)20-22(35-27)24(30)26(23(20)29)16-12-8-15(9-13-16)25(31)32/h2-13,21,29-30H,1H3,(H,31,32)/t21-/m0/s1
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n/an/a 25.2n/an/an/an/an/an/a



Punjabi University

Curated by ChEMBL


Assay Description
Inhibition of AChE activity in rat brain homogenate using acetylthiocholine as substrate by Ellman's method


Bioorg Med Chem 20: 521-30 (2011)


Article DOI: 10.1016/j.bmc.2011.05.027
BindingDB Entry DOI: 10.7270/Q22B903F
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50389619
PNG
(CHEMBL2069764 | CHEMBL2069786)
Show SMILES OC(=O)c1ccc(cc1)-n1c(O)c2ON([C@H](c2c1O)c1ccc(cc1)[N+]([O-])=O)c1ccccc1
Show InChI InChI=1S/C24H17N3O7/c28-22-19-20(14-6-12-18(13-7-14)27(32)33)26(17-4-2-1-3-5-17)34-21(19)23(29)25(22)16-10-8-15(9-11-16)24(30)31/h1-13,20,28-29H,(H,30,31)/t20-/m0/s1
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n/an/a 25.8n/an/an/an/an/an/a



Punjabi University

Curated by ChEMBL


Assay Description
Inhibition of AChE activity in rat brain homogenate using acetylthiocholine as substrate by Ellman's method


Bioorg Med Chem 20: 521-30 (2011)


Article DOI: 10.1016/j.bmc.2011.05.027
BindingDB Entry DOI: 10.7270/Q22B903F
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50389620
PNG
(CHEMBL2069763 | CHEMBL2069785)
Show SMILES OC(=O)c1ccc(cc1)-n1c(O)c2ON([C@H](c2c1O)c1ccccc1[N+]([O-])=O)c1ccccc1
Show InChI InChI=1S/C24H17N3O7/c28-22-19-20(17-8-4-5-9-18(17)27(32)33)26(16-6-2-1-3-7-16)34-21(19)23(29)25(22)15-12-10-14(11-13-15)24(30)31/h1-13,20,28-29H,(H,30,31)/t20-/m0/s1
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n/an/a 26.1n/an/an/an/an/an/a



Punjabi University

Curated by ChEMBL


Assay Description
Inhibition of AChE activity in rat brain homogenate using acetylthiocholine as substrate by Ellman's method


Bioorg Med Chem 20: 521-30 (2011)


Article DOI: 10.1016/j.bmc.2011.05.027
BindingDB Entry DOI: 10.7270/Q22B903F
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50389619
PNG
(CHEMBL2069764 | CHEMBL2069786)
Show SMILES OC(=O)c1ccc(cc1)-n1c(O)c2ON([C@H](c2c1O)c1ccc(cc1)[N+]([O-])=O)c1ccccc1
Show InChI InChI=1S/C24H17N3O7/c28-22-19-20(14-6-12-18(13-7-14)27(32)33)26(17-4-2-1-3-5-17)34-21(19)23(29)25(22)16-10-8-15(9-11-16)24(30)31/h1-13,20,28-29H,(H,30,31)/t20-/m0/s1
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n/an/a 26.4n/an/an/an/an/an/a



Punjabi University

Curated by ChEMBL


Assay Description
Inhibition of AChE activity in rat brain homogenate using acetylthiocholine as substrate by Ellman's method


Bioorg Med Chem 20: 521-30 (2011)


Article DOI: 10.1016/j.bmc.2011.05.027
BindingDB Entry DOI: 10.7270/Q22B903F
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50389620
PNG
(CHEMBL2069763 | CHEMBL2069785)
Show SMILES OC(=O)c1ccc(cc1)-n1c(O)c2ON([C@H](c2c1O)c1ccccc1[N+]([O-])=O)c1ccccc1
Show InChI InChI=1S/C24H17N3O7/c28-22-19-20(17-8-4-5-9-18(17)27(32)33)26(16-6-2-1-3-7-16)34-21(19)23(29)25(22)15-12-10-14(11-13-15)24(30)31/h1-13,20,28-29H,(H,30,31)/t20-/m0/s1
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n/an/a 26.9n/an/an/an/an/an/a



Punjabi University

Curated by ChEMBL


Assay Description
Inhibition of AChE activity in rat brain homogenate using acetylthiocholine as substrate by Ellman's method


Bioorg Med Chem 20: 521-30 (2011)


Article DOI: 10.1016/j.bmc.2011.05.027
BindingDB Entry DOI: 10.7270/Q22B903F
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50145829
PNG
(4-Aminobenzoesaeure | 4-aminobenzoic acid | CHEMBL...)
Show SMILES Nc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C7H7NO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H,9,10)
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n/an/a 35.2n/an/an/an/an/an/a



Punjabi University

Curated by ChEMBL


Assay Description
Inhibition of AChE activity in rat brain homogenate using acetylthiocholine as substrate by Ellman's method


Bioorg Med Chem 20: 521-30 (2011)


Article DOI: 10.1016/j.bmc.2011.05.027
BindingDB Entry DOI: 10.7270/Q22B903F
More data for this
Ligand-Target Pair
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)


(Rattus norvegicus (rat))
BDBM50389608
PNG
(CHEMBL2069773 | CHEMBL2069795)
Show SMILES COc1ccc(cc1)[C@@H]1N(Oc2c(O)n(c(O)c12)-c1ccc(cc1)C(O)=O)c1ccc(C)cc1
Show InChI InChI=1S/C26H22N2O6/c1-15-3-9-19(10-4-15)28-22(16-7-13-20(33-2)14-8-16)21-23(34-28)25(30)27(24(21)29)18-11-5-17(6-12-18)26(31)32/h3-14,22,29-30H,1-2H3,(H,31,32)/t22-/m0/s1
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n/an/a 1.53E+4n/an/an/an/an/an/a



Punjabi University

Curated by ChEMBL


Assay Description
Inhibition of BuChE activity in rat plasma using butyrylcholine as substrate by Ellman's method


Bioorg Med Chem 20: 521-30 (2011)


Article DOI: 10.1016/j.bmc.2011.05.027
BindingDB Entry DOI: 10.7270/Q22B903F
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%