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PubMed code 23422935

Compile data set for download or QSAR
Found 29 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))		BDBM8963
PNG
(CHEMBL32823 | Homodimeric Tacrine Analog 3b | N-[7...)
Show SMILES C(CCCNc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C33H40N4/c1(2-12-22-34-32-24-14-4-8-18-28(24)36-29-19-9-5-15-25(29)32)3-13-23-35-33-26-16-6-10-20-30(26)37-31-21-11-7-17-27(31)33/h4,6,8,10,14,16,18,20H,1-3,5,7,9,11-13,15,17,19,21-23H2,(H,34,36)(H,35,37)
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n/an/a 4.10n/an/an/an/an/an/a



Universidade Federal do Rio Grande do Sul

Curated by ChEMBL


Assay Description
Inhibition of AChE in Wistar rat brain cortex using acetylthiocholine iodide as substrate by Ellman's colorimetric method

Eur J Med Chem 62: 556-63 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.029
BindingDB Entry DOI: 10.7270/Q25Q4XFX
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50430535
PNG
(CHEMBL2336426)
Show SMILES Clc1ccc(cc1)-c1nc(c(-c2ccccc2)n1CCCCCCCCNc1c2CCCCc2nc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C42H43ClN4/c43-34-27-25-33(26-28-34)42-46-39(31-17-7-5-8-18-31)41(32-19-9-6-10-20-32)47(42)30-16-4-2-1-3-15-29-44-40-35-21-11-13-23-37(35)45-38-24-14-12-22-36(38)40/h5-11,13,17-21,23,25-28H,1-4,12,14-16,22,24,29-30H2,(H,44,45)
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n/an/a 5.90n/an/an/an/an/an/a



Universidade Federal do Rio Grande do Sul

Curated by ChEMBL


Assay Description
Inhibition of AChE in Wistar rat brain cortex using acetylthiocholine iodide as substrate by Ellman's colorimetric method

Eur J Med Chem 62: 556-63 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.029
BindingDB Entry DOI: 10.7270/Q25Q4XFX
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50430526
PNG
(CHEMBL2335967)
Show SMILES N#Cc1ccc(cc1)-c1nc(c(-c2ccccc2)n1CCCCCCCNc1c2CCCCc2nc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C42H41N5/c43-30-31-24-26-34(27-25-31)42-46-39(32-16-6-4-7-17-32)41(33-18-8-5-9-19-33)47(42)29-15-3-1-2-14-28-44-40-35-20-10-12-22-37(35)45-38-23-13-11-21-36(38)40/h4-10,12,16-20,22,24-27H,1-3,11,13-15,21,23,28-29H2,(H,44,45)
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n/an/a 7.10n/an/an/an/an/an/a



Universidade Federal do Rio Grande do Sul

Curated by ChEMBL


Assay Description
Inhibition of BuChE in human plasma using butyrylthiocholine iodide as substrate by Ellman's colorimetric method

Eur J Med Chem 62: 556-63 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.029
BindingDB Entry DOI: 10.7270/Q25Q4XFX
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM8963
PNG
(CHEMBL32823 | Homodimeric Tacrine Analog 3b | N-[7...)
Show SMILES C(CCCNc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C33H40N4/c1(2-12-22-34-32-24-14-4-8-18-28(24)36-29-19-9-5-15-25(29)32)3-13-23-35-33-26-16-6-10-20-30(26)37-31-21-11-7-17-27(31)33/h4,6,8,10,14,16,18,20H,1-3,5,7,9,11-13,15,17,19,21-23H2,(H,34,36)(H,35,37)
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n/an/a 9n/an/an/an/an/an/a



Universidade Federal do Rio Grande do Sul

Curated by ChEMBL


Assay Description
Inhibition of BuChE in human plasma using butyrylthiocholine iodide as substrate by Ellman's colorimetric method

Eur J Med Chem 62: 556-63 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.029
BindingDB Entry DOI: 10.7270/Q25Q4XFX
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50430518
PNG
(CHEMBL2335975)
Show SMILES [O-][N+](=O)c1ccc(cc1)-c1nc(c(-c2ccccc2)n1CCCCCCNc1c2CCCCc2nc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C40H39N5O2/c46-45(47)32-25-23-31(24-26-32)40-43-37(29-15-5-3-6-16-29)39(30-17-7-4-8-18-30)44(40)28-14-2-1-13-27-41-38-33-19-9-11-21-35(33)42-36-22-12-10-20-34(36)38/h3-9,11,15-19,21,23-26H,1-2,10,12-14,20,22,27-28H2,(H,41,42)
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n/an/a 12n/an/an/an/an/an/a



Universidade Federal do Rio Grande do Sul

Curated by ChEMBL


Assay Description
Inhibition of BuChE in human plasma using butyrylthiocholine iodide as substrate by Ellman's colorimetric method

Eur J Med Chem 62: 556-63 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.029
BindingDB Entry DOI: 10.7270/Q25Q4XFX
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50430534
PNG
(CHEMBL2336428)
Show SMILES Fc1ccc(cc1)-c1nc(c(-c2ccccc2)n1CCCCCCCCNc1c2CCCCc2nc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C42H43FN4/c43-34-27-25-33(26-28-34)42-46-39(31-17-7-5-8-18-31)41(32-19-9-6-10-20-32)47(42)30-16-4-2-1-3-15-29-44-40-35-21-11-13-23-37(35)45-38-24-14-12-22-36(38)40/h5-11,13,17-21,23,25-28H,1-4,12,14-16,22,24,29-30H2,(H,44,45)
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n/an/a 26n/an/an/an/an/an/a



Universidade Federal do Rio Grande do Sul

Curated by ChEMBL


Assay Description
Inhibition of AChE in Wistar rat brain cortex using acetylthiocholine iodide as substrate by Ellman's colorimetric method

Eur J Med Chem 62: 556-63 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.029
BindingDB Entry DOI: 10.7270/Q25Q4XFX
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50430523
PNG
(CHEMBL2335970)
Show SMILES Clc1ccc(cc1)-c1nc(c(-c2ccccc2)n1CCCCCCNc1c2CCCCc2nc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C40H39ClN4/c41-32-25-23-31(24-26-32)40-44-37(29-15-5-3-6-16-29)39(30-17-7-4-8-18-30)45(40)28-14-2-1-13-27-42-38-33-19-9-11-21-35(33)43-36-22-12-10-20-34(36)38/h3-9,11,15-19,21,23-26H,1-2,10,12-14,20,22,27-28H2,(H,42,43)
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n/an/a 29n/an/an/an/an/an/a



Universidade Federal do Rio Grande do Sul

Curated by ChEMBL


Assay Description
Inhibition of BuChE in human plasma using butyrylthiocholine iodide as substrate by Ellman's colorimetric method

Eur J Med Chem 62: 556-63 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.029
BindingDB Entry DOI: 10.7270/Q25Q4XFX
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50430532
PNG
(CHEMBL2336430)
Show SMILES N#Cc1ccc(cc1)-c1nc(c(-c2ccccc2)n1CCCCCCCCNc1c2CCCCc2nc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C43H43N5/c44-31-32-25-27-35(28-26-32)43-47-40(33-17-7-5-8-18-33)42(34-19-9-6-10-20-34)48(43)30-16-4-2-1-3-15-29-45-41-36-21-11-13-23-38(36)46-39-24-14-12-22-37(39)41/h5-11,13,17-21,23,25-28H,1-4,12,14-16,22,24,29-30H2,(H,45,46)
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n/an/a 30n/an/an/an/an/an/a



Universidade Federal do Rio Grande do Sul

Curated by ChEMBL


Assay Description
Inhibition of BuChE in human plasma using butyrylthiocholine iodide as substrate by Ellman's colorimetric method

Eur J Med Chem 62: 556-63 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.029
BindingDB Entry DOI: 10.7270/Q25Q4XFX
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50430519
PNG
(CHEMBL2335974)
Show SMILES N#Cc1ccc(cc1)-c1nc(c(-c2ccccc2)n1CCCCCCNc1c2CCCCc2nc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C41H39N5/c42-29-30-23-25-33(26-24-30)41-45-38(31-15-5-3-6-16-31)40(32-17-7-4-8-18-32)46(41)28-14-2-1-13-27-43-39-34-19-9-11-21-36(34)44-37-22-12-10-20-35(37)39/h3-9,11,15-19,21,23-26H,1-2,10,12-14,20,22,27-28H2,(H,43,44)
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n/an/a 30n/an/an/an/an/an/a



Universidade Federal do Rio Grande do Sul

Curated by ChEMBL


Assay Description
Inhibition of BuChE in human plasma using butyrylthiocholine iodide as substrate by Ellman's colorimetric method

Eur J Med Chem 62: 556-63 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.029
BindingDB Entry DOI: 10.7270/Q25Q4XFX
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50430522
PNG
(CHEMBL2335971)
Show SMILES Clc1cccc(c1)-c1nc(c(-c2ccccc2)n1CCCCCCNc1c2CCCCc2nc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C40H39ClN4/c41-32-21-15-20-31(28-32)40-44-37(29-16-5-3-6-17-29)39(30-18-7-4-8-19-30)45(40)27-14-2-1-13-26-42-38-33-22-9-11-24-35(33)43-36-25-12-10-23-34(36)38/h3-9,11,15-22,24,28H,1-2,10,12-14,23,25-27H2,(H,42,43)
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n/an/a 35n/an/an/an/an/an/a



Universidade Federal do Rio Grande do Sul

Curated by ChEMBL


Assay Description
Inhibition of BuChE in human plasma using butyrylthiocholine iodide as substrate by Ellman's colorimetric method

Eur J Med Chem 62: 556-63 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.029
BindingDB Entry DOI: 10.7270/Q25Q4XFX
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50430520
PNG
(CHEMBL2335973)
Show SMILES COc1ccc(cc1)-c1nc(c(-c2ccccc2)n1CCCCCCNc1c2CCCCc2nc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C41H42N4O/c1-46-33-26-24-32(25-27-33)41-44-38(30-16-6-4-7-17-30)40(31-18-8-5-9-19-31)45(41)29-15-3-2-14-28-42-39-34-20-10-12-22-36(34)43-37-23-13-11-21-35(37)39/h4-10,12,16-20,22,24-27H,2-3,11,13-15,21,23,28-29H2,1H3,(H,42,43)
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n/an/a 36n/an/an/an/an/an/a



Universidade Federal do Rio Grande do Sul

Curated by ChEMBL


Assay Description
Inhibition of BuChE in human plasma using butyrylthiocholine iodide as substrate by Ellman's colorimetric method

Eur J Med Chem 62: 556-63 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.029
BindingDB Entry DOI: 10.7270/Q25Q4XFX
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50430529
PNG
(CHEMBL2336432)
Show SMILES Clc1ccc(cc1)-c1nc(c(-c2ccccc2)n1CCCCCCCNc1c2CCCCc2nc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C41H41ClN4/c42-33-26-24-32(25-27-33)41-45-38(30-16-6-4-7-17-30)40(31-18-8-5-9-19-31)46(41)29-15-3-1-2-14-28-43-39-34-20-10-12-22-36(34)44-37-23-13-11-21-35(37)39/h4-10,12,16-20,22,24-27H,1-3,11,13-15,21,23,28-29H2,(H,43,44)
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n/an/a 38n/an/an/an/an/an/a



Universidade Federal do Rio Grande do Sul

Curated by ChEMBL


Assay Description
Inhibition of BuChE in human plasma using butyrylthiocholine iodide as substrate by Ellman's colorimetric method

Eur J Med Chem 62: 556-63 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.029
BindingDB Entry DOI: 10.7270/Q25Q4XFX
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50430528
PNG
(CHEMBL2336434)
Show SMILES Fc1ccc(cc1)-c1nc(c(-c2ccccc2)n1CCCCCCCNc1c2CCCCc2nc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C41H41FN4/c42-33-26-24-32(25-27-33)41-45-38(30-16-6-4-7-17-30)40(31-18-8-5-9-19-31)46(41)29-15-3-1-2-14-28-43-39-34-20-10-12-22-36(34)44-37-23-13-11-21-35(37)39/h4-10,12,16-20,22,24-27H,1-3,11,13-15,21,23,28-29H2,(H,43,44)
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n/an/a 39n/an/an/an/an/an/a



Universidade Federal do Rio Grande do Sul

Curated by ChEMBL


Assay Description
Inhibition of AChE in Wistar rat brain cortex using acetylthiocholine iodide as substrate by Ellman's colorimetric method

Eur J Med Chem 62: 556-63 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.029
BindingDB Entry DOI: 10.7270/Q25Q4XFX
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50430536
PNG
(CHEMBL2335980)
Show SMILES C(CCCCn1c(nc(c1-c1ccccc1)-c1ccccc1)-c1ccccc1)CCCn1c(nc(c1-c1ccccc1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C50H46N4/c1(3-23-37-53-47(41-29-15-7-16-30-41)45(39-25-11-5-12-26-39)51-49(53)43-33-19-9-20-34-43)2-4-24-38-54-48(42-31-17-8-18-32-42)46(40-27-13-6-14-28-40)52-50(54)44-35-21-10-22-36-44/h5-22,25-36H,1-4,23-24,37-38H2
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n/an/a 43n/an/an/an/an/an/a



Universidade Federal do Rio Grande do Sul

Curated by ChEMBL


Assay Description
Inhibition of AChE in Wistar rat brain cortex using acetylthiocholine iodide as substrate by Ellman's colorimetric method

Eur J Med Chem 62: 556-63 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.029
BindingDB Entry DOI: 10.7270/Q25Q4XFX
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50430521
PNG
(CHEMBL2335972)
Show SMILES Fc1ccc(cc1)-c1nc(c(-c2ccccc2)n1CCCCCCNc1c2CCCCc2nc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C40H39FN4/c41-32-25-23-31(24-26-32)40-44-37(29-15-5-3-6-16-29)39(30-17-7-4-8-18-30)45(40)28-14-2-1-13-27-42-38-33-19-9-11-21-35(33)43-36-22-12-10-20-34(36)38/h3-9,11,15-19,21,23-26H,1-2,10,12-14,20,22,27-28H2,(H,42,43)
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n/an/a 55n/an/an/an/an/an/a



Universidade Federal do Rio Grande do Sul

Curated by ChEMBL


Assay Description
Inhibition of BuChE in human plasma using butyrylthiocholine iodide as substrate by Ellman's colorimetric method

Eur J Med Chem 62: 556-63 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.029
BindingDB Entry DOI: 10.7270/Q25Q4XFX
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50430534
PNG
(CHEMBL2336428)
Show SMILES Fc1ccc(cc1)-c1nc(c(-c2ccccc2)n1CCCCCCCCNc1c2CCCCc2nc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C42H43FN4/c43-34-27-25-33(26-28-34)42-46-39(31-17-7-5-8-18-31)41(32-19-9-6-10-20-32)47(42)30-16-4-2-1-3-15-29-44-40-35-21-11-13-23-37(35)45-38-24-14-12-22-36(38)40/h5-11,13,17-21,23,25-28H,1-4,12,14-16,22,24,29-30H2,(H,44,45)
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n/an/a 57n/an/an/an/an/an/a



Universidade Federal do Rio Grande do Sul

Curated by ChEMBL


Assay Description
Inhibition of BuChE in human plasma using butyrylthiocholine iodide as substrate by Ellman's colorimetric method

Eur J Med Chem 62: 556-63 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.029
BindingDB Entry DOI: 10.7270/Q25Q4XFX
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50430524
PNG
(CHEMBL2335969)
Show SMILES C(CCCn1c(nc(c1-c1ccccc1)-c1ccccc1)-c1ccccc1)CCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C40H40N4/c1(16-28-41-38-33-24-12-14-26-35(33)42-36-27-15-13-25-34(36)38)2-17-29-44-39(31-20-8-4-9-21-31)37(30-18-6-3-7-19-30)43-40(44)32-22-10-5-11-23-32/h3-12,14,18-24,26H,1-2,13,15-17,25,27-29H2,(H,41,42)
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n/an/a 58n/an/an/an/an/an/a



Universidade Federal do Rio Grande do Sul

Curated by ChEMBL


Assay Description
Inhibition of BuChE in human plasma using butyrylthiocholine iodide as substrate by Ellman's colorimetric method

Eur J Med Chem 62: 556-63 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.029
BindingDB Entry DOI: 10.7270/Q25Q4XFX
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50430529
PNG
(CHEMBL2336432)
Show SMILES Clc1ccc(cc1)-c1nc(c(-c2ccccc2)n1CCCCCCCNc1c2CCCCc2nc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C41H41ClN4/c42-33-26-24-32(25-27-33)41-45-38(30-16-6-4-7-17-30)40(31-18-8-5-9-19-31)46(41)29-15-3-1-2-14-28-43-39-34-20-10-12-22-36(34)44-37-23-13-11-21-35(37)39/h4-10,12,16-20,22,24-27H,1-3,11,13-15,21,23,28-29H2,(H,43,44)
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n/an/a 60n/an/an/an/an/an/a



Universidade Federal do Rio Grande do Sul

Curated by ChEMBL


Assay Description
Inhibition of AChE in Wistar rat brain cortex using acetylthiocholine iodide as substrate by Ellman's colorimetric method

Eur J Med Chem 62: 556-63 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.029
BindingDB Entry DOI: 10.7270/Q25Q4XFX
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50430527
PNG
(CHEMBL2335966)
Show SMILES COc1ccc(cc1)-c1nc(c(-c2ccccc2)n1CCCCCCCNc1c2CCCCc2nc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C42H44N4O/c1-47-34-27-25-33(26-28-34)42-45-39(31-17-7-5-8-18-31)41(32-19-9-6-10-20-32)46(42)30-16-4-2-3-15-29-43-40-35-21-11-13-23-37(35)44-38-24-14-12-22-36(38)40/h5-11,13,17-21,23,25-28H,2-4,12,14-16,22,24,29-30H2,1H3,(H,43,44)
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n/an/a 62n/an/an/an/an/an/a



Universidade Federal do Rio Grande do Sul

Curated by ChEMBL


Assay Description
Inhibition of BuChE in human plasma using butyrylthiocholine iodide as substrate by Ellman's colorimetric method

Eur J Med Chem 62: 556-63 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.029
BindingDB Entry DOI: 10.7270/Q25Q4XFX
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50430528
PNG
(CHEMBL2336434)
Show SMILES Fc1ccc(cc1)-c1nc(c(-c2ccccc2)n1CCCCCCCNc1c2CCCCc2nc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C41H41FN4/c42-33-26-24-32(25-27-33)41-45-38(30-16-6-4-7-17-30)40(31-18-8-5-9-19-31)46(41)29-15-3-1-2-14-28-43-39-34-20-10-12-22-36(34)44-37-23-13-11-21-35(37)39/h4-10,12,16-20,22,24-27H,1-3,11,13-15,21,23,28-29H2,(H,43,44)
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n/an/a 67n/an/an/an/an/an/a



Universidade Federal do Rio Grande do Sul

Curated by ChEMBL


Assay Description
Inhibition of BuChE in human plasma using butyrylthiocholine iodide as substrate by Ellman's colorimetric method

Eur J Med Chem 62: 556-63 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.029
BindingDB Entry DOI: 10.7270/Q25Q4XFX
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50430527
PNG
(CHEMBL2335966)
Show SMILES COc1ccc(cc1)-c1nc(c(-c2ccccc2)n1CCCCCCCNc1c2CCCCc2nc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C42H44N4O/c1-47-34-27-25-33(26-28-34)42-45-39(31-17-7-5-8-18-31)41(32-19-9-6-10-20-32)46(42)30-16-4-2-3-15-29-43-40-35-21-11-13-23-37(35)44-38-24-14-12-22-36(38)40/h5-11,13,17-21,23,25-28H,2-4,12,14-16,22,24,29-30H2,1H3,(H,43,44)
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n/an/a 69n/an/an/an/an/an/a



Universidade Federal do Rio Grande do Sul

Curated by ChEMBL


Assay Description
Inhibition of AChE in Wistar rat brain cortex using acetylthiocholine iodide as substrate by Ellman's colorimetric method

Eur J Med Chem 62: 556-63 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.029
BindingDB Entry DOI: 10.7270/Q25Q4XFX
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50430525
PNG
(CHEMBL2335968)
Show SMILES [O-][N+](=O)c1ccc(cc1)-c1nc(c(-c2ccccc2)n1CCCCCCCNc1c2CCCCc2nc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C41H41N5O2/c47-46(48)33-26-24-32(25-27-33)41-44-38(30-16-6-4-7-17-30)40(31-18-8-5-9-19-31)45(41)29-15-3-1-2-14-28-42-39-34-20-10-12-22-36(34)43-37-23-13-11-21-35(37)39/h4-10,12,16-20,22,24-27H,1-3,11,13-15,21,23,28-29H2,(H,42,43)
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n/an/a 72n/an/an/an/an/an/a



Universidade Federal do Rio Grande do Sul

Curated by ChEMBL


Assay Description
Inhibition of AChE in Wistar rat brain cortex using acetylthiocholine iodide as substrate by Ellman's colorimetric method

Eur J Med Chem 62: 556-63 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.029
BindingDB Entry DOI: 10.7270/Q25Q4XFX
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50430525
PNG
(CHEMBL2335968)
Show SMILES [O-][N+](=O)c1ccc(cc1)-c1nc(c(-c2ccccc2)n1CCCCCCCNc1c2CCCCc2nc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C41H41N5O2/c47-46(48)33-26-24-32(25-27-33)41-44-38(30-16-6-4-7-17-30)40(31-18-8-5-9-19-31)45(41)29-15-3-1-2-14-28-42-39-34-20-10-12-22-36(34)43-37-23-13-11-21-35(37)39/h4-10,12,16-20,22,24-27H,1-3,11,13-15,21,23,28-29H2,(H,42,43)
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n/an/a 77n/an/an/an/an/an/a



Universidade Federal do Rio Grande do Sul

Curated by ChEMBL


Assay Description
Inhibition of BuChE in human plasma using butyrylthiocholine iodide as substrate by Ellman's colorimetric method

Eur J Med Chem 62: 556-63 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.029
BindingDB Entry DOI: 10.7270/Q25Q4XFX
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50430530
PNG
(CHEMBL2336431)
Show SMILES C(CCCNc1c2CCCCc2nc2ccccc12)CCCn1c(nc(c1-c1ccccc1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C41H42N4/c1(2-17-29-42-39-34-25-13-15-27-36(34)43-37-28-16-14-26-35(37)39)3-18-30-45-40(32-21-9-5-10-22-32)38(31-19-7-4-8-20-31)44-41(45)33-23-11-6-12-24-33/h4-13,15,19-25,27H,1-3,14,16-18,26,28-30H2,(H,42,43)
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n/an/a 81n/an/an/an/an/an/a



Universidade Federal do Rio Grande do Sul

Curated by ChEMBL


Assay Description
Inhibition of AChE in Wistar rat brain cortex using acetylthiocholine iodide as substrate by Ellman's colorimetric method

Eur J Med Chem 62: 556-63 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.029
BindingDB Entry DOI: 10.7270/Q25Q4XFX
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50430533
PNG
(CHEMBL2336429)
Show SMILES COc1ccc(cc1)-c1nc(c(-c2ccccc2)n1CCCCCCCCNc1c2CCCCc2nc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C43H46N4O/c1-48-35-28-26-34(27-29-35)43-46-40(32-18-8-6-9-19-32)42(33-20-10-7-11-21-33)47(43)31-17-5-3-2-4-16-30-44-41-36-22-12-14-24-38(36)45-39-25-15-13-23-37(39)41/h6-12,14,18-22,24,26-29H,2-5,13,15-17,23,25,30-31H2,1H3,(H,44,45)
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n/an/a 82n/an/an/an/an/an/a



Universidade Federal do Rio Grande do Sul

Curated by ChEMBL


Assay Description
Inhibition of BuChE in human plasma using butyrylthiocholine iodide as substrate by Ellman's colorimetric method

Eur J Med Chem 62: 556-63 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.029
BindingDB Entry DOI: 10.7270/Q25Q4XFX
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50430530
PNG
(CHEMBL2336431)
Show SMILES C(CCCNc1c2CCCCc2nc2ccccc12)CCCn1c(nc(c1-c1ccccc1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C41H42N4/c1(2-17-29-42-39-34-25-13-15-27-36(34)43-37-28-16-14-26-35(37)39)3-18-30-45-40(32-21-9-5-10-22-32)38(31-19-7-4-8-20-31)44-41(45)33-23-11-6-12-24-33/h4-13,15,19-25,27H,1-3,14,16-18,26,28-30H2,(H,42,43)
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n/an/a 92n/an/an/an/an/an/a



Universidade Federal do Rio Grande do Sul

Curated by ChEMBL


Assay Description
Inhibition of BuChE in human plasma using butyrylthiocholine iodide as substrate by Ellman's colorimetric method

Eur J Med Chem 62: 556-63 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.029
BindingDB Entry DOI: 10.7270/Q25Q4XFX
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50430535
PNG
(CHEMBL2336426)
Show SMILES Clc1ccc(cc1)-c1nc(c(-c2ccccc2)n1CCCCCCCCNc1c2CCCCc2nc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C42H43ClN4/c43-34-27-25-33(26-28-34)42-46-39(31-17-7-5-8-18-31)41(32-19-9-6-10-20-32)47(42)30-16-4-2-1-3-15-29-44-40-35-21-11-13-23-37(35)45-38-24-14-12-22-36(38)40/h5-11,13,17-21,23,25-28H,1-4,12,14-16,22,24,29-30H2,(H,44,45)
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n/an/a 109n/an/an/an/an/an/a



Universidade Federal do Rio Grande do Sul

Curated by ChEMBL


Assay Description
Inhibition of BuChE in human plasma using butyrylthiocholine iodide as substrate by Ellman's colorimetric method

Eur J Med Chem 62: 556-63 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.029
BindingDB Entry DOI: 10.7270/Q25Q4XFX
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50430531
PNG
(CHEMBL2331606)
Show SMILES [O-][N+](=O)c1ccc(cc1)-c1nc(c(-c2ccccc2)n1CCCCCCCCNc1c2CCCCc2nc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C42H43N5O2/c48-47(49)34-27-25-33(26-28-34)42-45-39(31-17-7-5-8-18-31)41(32-19-9-6-10-20-32)46(42)30-16-4-2-1-3-15-29-43-40-35-21-11-13-23-37(35)44-38-24-14-12-22-36(38)40/h5-11,13,17-21,23,25-28H,1-4,12,14-16,22,24,29-30H2,(H,43,44)
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n/an/a 120n/an/an/an/an/an/a



Universidade Federal do Rio Grande do Sul

Curated by ChEMBL


Assay Description
Inhibition of BuChE in human plasma using butyrylthiocholine iodide as substrate by Ellman's colorimetric method

Eur J Med Chem 62: 556-63 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.029
BindingDB Entry DOI: 10.7270/Q25Q4XFX
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50430533
PNG
(CHEMBL2336429)
Show SMILES COc1ccc(cc1)-c1nc(c(-c2ccccc2)n1CCCCCCCCNc1c2CCCCc2nc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C43H46N4O/c1-48-35-28-26-34(27-29-35)43-46-40(32-18-8-6-9-19-32)42(33-20-10-7-11-21-33)47(43)31-17-5-3-2-4-16-30-44-41-36-22-12-14-24-38(36)45-39-25-15-13-23-37(39)41/h6-12,14,18-22,24,26-29H,2-5,13,15-17,23,25,30-31H2,1H3,(H,44,45)
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n/an/a 126n/an/an/an/an/an/a



Universidade Federal do Rio Grande do Sul

Curated by ChEMBL


Assay Description
Inhibition of AChE in Wistar rat brain cortex using acetylthiocholine iodide as substrate by Ellman's colorimetric method

Eur J Med Chem 62: 556-63 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.029
BindingDB Entry DOI: 10.7270/Q25Q4XFX
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%