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PubMed code 16230018

Compile data set for download or QSAR
Found 28 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
Cholinesterase


(Homo sapiens (Human))		BDBM9063
PNG
(5,6-Dimethoxy-2-{[7-(1,2,3,4-tetrahydro-acridin-9-...)
Show SMILES COc1cc2CC(CNCCCCCCCNc3c4CCCCc4nc4ccccc34)C(=O)c2cc1OC
Show InChI InChI=1S/C32H41N3O3/c1-37-29-19-22-18-23(32(36)26(22)20-30(29)38-2)21-33-16-10-4-3-5-11-17-34-31-24-12-6-8-14-27(24)35-28-15-9-7-13-25(28)31/h6,8,12,14,19-20,23,33H,3-5,7,9-11,13,15-18,21H2,1-2H3,(H,34,35)
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n/an/a 0.600n/an/an/an/an/an/a



Neuropharma



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 405 nm were recorded for 10 min with...

Bioorg Med Chem 13: 6588-97 (2005)


Article DOI: 10.1016/j.bmc.2005.09.029
BindingDB Entry DOI: 10.7270/Q2G73BW9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))		BDBM9073
PNG
(2-[9-(Acridin-9-ylamino)-nonyl]-isoindole-1,3-dion...)
Show SMILES O=C1N(CCCCCCCCCNc2c3ccccc3nc3ccccc23)C(=O)c2ccccc12
Show InChI InChI=1S/C30H31N3O2/c34-29-22-14-6-7-15-23(22)30(35)33(29)21-13-5-3-1-2-4-12-20-31-28-24-16-8-10-18-26(24)32-27-19-11-9-17-25(27)28/h6-11,14-19H,1-5,12-13,20-21H2,(H,31,32)
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n/an/a 2.40n/an/an/an/a8.030



Neuropharma



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 405 nm were recorded for 10 min with...

Bioorg Med Chem 13: 6588-97 (2005)


Article DOI: 10.1016/j.bmc.2005.09.029
BindingDB Entry DOI: 10.7270/Q2G73BW9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))		BDBM9067
PNG
(Donepezil-tacrine hybrid 12 | N-[4-({2-[(6-chloro-...)
Show SMILES CN(CCCCNC(=O)CN1C(=O)c2ccccc2C1=O)CCNc1c2CCCCc2nc2cc(Cl)ccc12
Show InChI InChI=1S/C30H34ClN5O3/c1-35(16-7-6-14-32-27(37)19-36-29(38)21-8-2-3-9-22(21)30(36)39)17-15-33-28-23-10-4-5-11-25(23)34-26-18-20(31)12-13-24(26)28/h2-3,8-9,12-13,18H,4-7,10-11,14-17,19H2,1H3,(H,32,37)(H,33,34)
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n/an/a 2.80n/an/an/an/a8.030



Neuropharma



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 405 nm were recorded for 10 min with...

Bioorg Med Chem 13: 6588-97 (2005)


Article DOI: 10.1016/j.bmc.2005.09.029
BindingDB Entry DOI: 10.7270/Q2G73BW9
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM9070
PNG
(2-[6-(Acridin-9-ylamino)-hexyl]-isoindole-1,3-dion...)
Show SMILES O=C1N(CCCCCCNc2c3ccccc3nc3ccccc23)C(=O)c2ccccc12
Show InChI InChI=1S/C27H25N3O2/c31-26-19-11-3-4-12-20(19)27(32)30(26)18-10-2-1-9-17-28-25-21-13-5-7-15-23(21)29-24-16-8-6-14-22(24)25/h3-8,11-16H,1-2,9-10,17-18H2,(H,28,29)
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n/an/a 7.80n/an/an/an/an/an/a



Neuropharma



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 405 nm were recorded for 10 min with...

Bioorg Med Chem 13: 6588-97 (2005)


Article DOI: 10.1016/j.bmc.2005.09.029
BindingDB Entry DOI: 10.7270/Q2G73BW9
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM9068
PNG
(2-[7-(1,2,3,4-Tetrahydro-acridin-9-ylamino)-heptyl...)
Show SMILES O=C1N(CCCCCCCNc2c3CCCCc3nc3ccccc23)C(=O)c2ccccc12
Show InChI InChI=1S/C28H31N3O2/c32-27-20-12-4-5-13-21(20)28(33)31(27)19-11-3-1-2-10-18-29-26-22-14-6-8-16-24(22)30-25-17-9-7-15-23(25)26/h4-6,8,12-14,16H,1-3,7,9-11,15,17-19H2,(H,29,30)
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n/an/a 10n/an/an/an/an/an/a



Neuropharma



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 405 nm were recorded for 10 min with...

Bioorg Med Chem 13: 6588-97 (2005)


Article DOI: 10.1016/j.bmc.2005.09.029
BindingDB Entry DOI: 10.7270/Q2G73BW9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))		BDBM9065
PNG
(Donepezil-tacrine hybrid 10 | N-[6-(6-Chloro-1,2,3...)
Show SMILES Clc1ccc2c(NCCCCCCNC(=O)CN3C(=O)c4ccccc4C3=O)c3CCCCc3nc2c1
Show InChI InChI=1S/C29H31ClN4O3/c30-19-13-14-23-25(17-19)33-24-12-6-5-11-22(24)27(23)32-16-8-2-1-7-15-31-26(35)18-34-28(36)20-9-3-4-10-21(20)29(34)37/h3-4,9-10,13-14,17H,1-2,5-8,11-12,15-16,18H2,(H,31,35)(H,32,33)
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n/an/a 10n/an/an/an/a8.030



Neuropharma



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 405 nm were recorded for 10 min with...

Bioorg Med Chem 13: 6588-97 (2005)


Article DOI: 10.1016/j.bmc.2005.09.029
BindingDB Entry DOI: 10.7270/Q2G73BW9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))		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 19n/an/an/an/a8.030



Neuropharma



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 405 nm were recorded for 10 min with...

Bioorg Med Chem 13: 6588-97 (2005)


Article DOI: 10.1016/j.bmc.2005.09.029
BindingDB Entry DOI: 10.7270/Q2G73BW9
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Acetylcholinesterase


(Bos taurus (bovine))		BDBM9066
PNG
(Donepezil-tacrine hybrid 11 | N-[7-(6-Chloro-1,2,3...)
Show SMILES Clc1ccc2c(NCCCCCCCNC(=O)CN3C(=O)c4ccccc4C3=O)c3CCCCc3nc2c1
Show InChI InChI=1S/C30H33ClN4O3/c31-20-14-15-24-26(18-20)34-25-13-7-6-12-23(25)28(24)33-17-9-3-1-2-8-16-32-27(36)19-35-29(37)21-10-4-5-11-22(21)30(35)38/h4-5,10-11,14-15,18H,1-3,6-9,12-13,16-17,19H2,(H,32,36)(H,33,34)
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n/an/a 20n/an/an/an/a8.030



Neuropharma



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 405 nm were recorded for 10 min with...

Bioorg Med Chem 13: 6588-97 (2005)


Article DOI: 10.1016/j.bmc.2005.09.029
BindingDB Entry DOI: 10.7270/Q2G73BW9
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM8961
PNG
(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)
Show SMILES Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)
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n/an/a 24n/an/an/an/an/an/a



Neuropharma



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 405 nm were recorded for 10 min with...

Bioorg Med Chem 13: 6588-97 (2005)


Article DOI: 10.1016/j.bmc.2005.09.029
BindingDB Entry DOI: 10.7270/Q2G73BW9
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Acetylcholinesterase


(Bos taurus (bovine))		BDBM9063
PNG
(5,6-Dimethoxy-2-{[7-(1,2,3,4-tetrahydro-acridin-9-...)
Show SMILES COc1cc2CC(CNCCCCCCCNc3c4CCCCc4nc4ccccc34)C(=O)c2cc1OC
Show InChI InChI=1S/C32H41N3O3/c1-37-29-19-22-18-23(32(36)26(22)20-30(29)38-2)21-33-16-10-4-3-5-11-17-34-31-24-12-6-8-14-27(24)35-28-15-9-7-13-25(28)31/h6,8,12,14,19-20,23,33H,3-5,7,9-11,13,15-18,21H2,1-2H3,(H,34,35)
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n/an/a 25n/an/an/an/a8.030



Neuropharma



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 405 nm were recorded for 10 min with...

Bioorg Med Chem 13: 6588-97 (2005)


Article DOI: 10.1016/j.bmc.2005.09.029
BindingDB Entry DOI: 10.7270/Q2G73BW9
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM9069
PNG
(2-[8-(1,2,3,4-Tetrahydro-acridin-9-ylamino)-octyl]...)
Show SMILES O=C1N(CCCCCCCCNc2c3CCCCc3nc3ccccc23)C(=O)c2ccccc12
Show InChI InChI=1S/C29H33N3O2/c33-28-21-13-5-6-14-22(21)29(34)32(28)20-12-4-2-1-3-11-19-30-27-23-15-7-9-17-25(23)31-26-18-10-8-16-24(26)27/h5-7,9,13-15,17H,1-4,8,10-12,16,18-20H2,(H,30,31)
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n/an/a 29n/an/an/an/an/an/a



Neuropharma



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 405 nm were recorded for 10 min with...

Bioorg Med Chem 13: 6588-97 (2005)


Article DOI: 10.1016/j.bmc.2005.09.029
BindingDB Entry DOI: 10.7270/Q2G73BW9
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM9062
PNG
(5,6-Dimethoxy-2-{[6-(1,2,3,4-tetrahydro-acridin-9-...)
Show SMILES COc1cc2CC(CNCCCCCCNc3c4CCCCc4nc4ccccc34)C(=O)c2cc1OC
Show InChI InChI=1S/C31H39N3O3/c1-36-28-18-21-17-22(31(35)25(21)19-29(28)37-2)20-32-15-9-3-4-10-16-33-30-23-11-5-7-13-26(23)34-27-14-8-6-12-24(27)30/h5,7,11,13,18-19,22,32H,3-4,6,8-10,12,14-17,20H2,1-2H3,(H,33,34)
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n/an/a 50n/an/an/an/an/an/a



Neuropharma



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 405 nm were recorded for 10 min with...

Bioorg Med Chem 13: 6588-97 (2005)


Article DOI: 10.1016/j.bmc.2005.09.029
BindingDB Entry DOI: 10.7270/Q2G73BW9
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM9067
PNG
(Donepezil-tacrine hybrid 12 | N-[4-({2-[(6-chloro-...)
Show SMILES CN(CCCCNC(=O)CN1C(=O)c2ccccc2C1=O)CCNc1c2CCCCc2nc2cc(Cl)ccc12
Show InChI InChI=1S/C30H34ClN5O3/c1-35(16-7-6-14-32-27(37)19-36-29(38)21-8-2-3-9-22(21)30(36)39)17-15-33-28-23-10-4-5-11-25(23)34-26-18-20(31)12-13-24(26)28/h2-3,8-9,12-13,18H,4-7,10-11,14-17,19H2,1H3,(H,32,37)(H,33,34)
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n/an/a 75n/an/an/an/an/an/a



Neuropharma



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 405 nm were recorded for 10 min with...

Bioorg Med Chem 13: 6588-97 (2005)


Article DOI: 10.1016/j.bmc.2005.09.029
BindingDB Entry DOI: 10.7270/Q2G73BW9
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM9073
PNG
(2-[9-(Acridin-9-ylamino)-nonyl]-isoindole-1,3-dion...)
Show SMILES O=C1N(CCCCCCCCCNc2c3ccccc3nc3ccccc23)C(=O)c2ccccc12
Show InChI InChI=1S/C30H31N3O2/c34-29-22-14-6-7-15-23(22)30(35)33(29)21-13-5-3-1-2-4-12-20-31-28-24-16-8-10-18-26(24)32-27-19-11-9-17-25(27)28/h6-11,14-19H,1-5,12-13,20-21H2,(H,31,32)
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n/an/a 90n/an/an/an/an/an/a



Neuropharma



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 405 nm were recorded for 10 min with...

Bioorg Med Chem 13: 6588-97 (2005)


Article DOI: 10.1016/j.bmc.2005.09.029
BindingDB Entry DOI: 10.7270/Q2G73BW9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))		BDBM9069
PNG
(2-[8-(1,2,3,4-Tetrahydro-acridin-9-ylamino)-octyl]...)
Show SMILES O=C1N(CCCCCCCCNc2c3CCCCc3nc3ccccc23)C(=O)c2ccccc12
Show InChI InChI=1S/C29H33N3O2/c33-28-21-13-5-6-14-22(21)29(34)32(28)20-12-4-2-1-3-11-19-30-27-23-15-7-9-17-25(23)31-26-18-10-8-16-24(26)27/h5-7,9,13-15,17H,1-4,8,10-12,16,18-20H2,(H,30,31)
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n/an/a 93n/an/an/an/a8.030



Neuropharma



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 405 nm were recorded for 10 min with...

Bioorg Med Chem 13: 6588-97 (2005)


Article DOI: 10.1016/j.bmc.2005.09.029
BindingDB Entry DOI: 10.7270/Q2G73BW9
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM9064
PNG
(2-({[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexyl]...)
Show SMILES O=C1C(CNCCCCCCNc2c3CCCCc3nc3ccccc23)C(=O)c2ccccc12
Show InChI InChI=1S/C29H33N3O2/c33-28-20-11-3-4-12-21(20)29(34)24(28)19-30-17-9-1-2-10-18-31-27-22-13-5-7-15-25(22)32-26-16-8-6-14-23(26)27/h3-5,7,11-13,15,24,30H,1-2,6,8-10,14,16-19H2,(H,31,32)
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n/an/a 98n/an/an/an/an/an/a



Neuropharma



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 405 nm were recorded for 10 min with...

Bioorg Med Chem 13: 6588-97 (2005)


Article DOI: 10.1016/j.bmc.2005.09.029
BindingDB Entry DOI: 10.7270/Q2G73BW9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))		BDBM9062
PNG
(5,6-Dimethoxy-2-{[6-(1,2,3,4-tetrahydro-acridin-9-...)
Show SMILES COc1cc2CC(CNCCCCCCNc3c4CCCCc4nc4ccccc34)C(=O)c2cc1OC
Show InChI InChI=1S/C31H39N3O3/c1-36-28-18-21-17-22(31(35)25(21)19-29(28)37-2)20-32-15-9-3-4-10-16-33-30-23-11-5-7-13-26(23)34-27-14-8-6-12-24(27)30/h5,7,11,13,18-19,22,32H,3-4,6,8-10,12,14-17,20H2,1-2H3,(H,33,34)
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Neuropharma



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 405 nm were recorded for 10 min with...

Bioorg Med Chem 13: 6588-97 (2005)


Article DOI: 10.1016/j.bmc.2005.09.029
BindingDB Entry DOI: 10.7270/Q2G73BW9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))		BDBM8961
PNG
(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)
Show SMILES Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)
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n/an/a 167n/an/an/an/a8.030



Neuropharma



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 405 nm were recorded for 10 min with...

Bioorg Med Chem 13: 6588-97 (2005)


Article DOI: 10.1016/j.bmc.2005.09.029
BindingDB Entry DOI: 10.7270/Q2G73BW9
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Cholinesterase


(Homo sapiens (Human))		BDBM9065
PNG
(Donepezil-tacrine hybrid 10 | N-[6-(6-Chloro-1,2,3...)
Show SMILES Clc1ccc2c(NCCCCCCNC(=O)CN3C(=O)c4ccccc4C3=O)c3CCCCc3nc2c1
Show InChI InChI=1S/C29H31ClN4O3/c30-19-13-14-23-25(17-19)33-24-12-6-5-11-22(24)27(23)32-16-8-2-1-7-15-31-26(35)18-34-28(36)20-9-3-4-10-21(20)29(34)37/h3-4,9-10,13-14,17H,1-2,5-8,11-12,15-16,18H2,(H,31,35)(H,32,33)
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n/an/a 220n/an/an/an/an/an/a



Neuropharma



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 405 nm were recorded for 10 min with...

Bioorg Med Chem 13: 6588-97 (2005)


Article DOI: 10.1016/j.bmc.2005.09.029
BindingDB Entry DOI: 10.7270/Q2G73BW9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))		BDBM9064
PNG
(2-({[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexyl]...)
Show SMILES O=C1C(CNCCCCCCNc2c3CCCCc3nc3ccccc23)C(=O)c2ccccc12
Show InChI InChI=1S/C29H33N3O2/c33-28-20-11-3-4-12-21(20)29(34)24(28)19-30-17-9-1-2-10-18-31-27-22-13-5-7-15-25(22)32-26-16-8-6-14-23(26)27/h3-5,7,11-13,15,24,30H,1-2,6,8-10,14,16-19H2,(H,31,32)
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n/an/a 504n/an/an/an/a8.030



Neuropharma



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 405 nm were recorded for 10 min with...

Bioorg Med Chem 13: 6588-97 (2005)


Article DOI: 10.1016/j.bmc.2005.09.029
BindingDB Entry DOI: 10.7270/Q2G73BW9
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM9066
PNG
(Donepezil-tacrine hybrid 11 | N-[7-(6-Chloro-1,2,3...)
Show SMILES Clc1ccc2c(NCCCCCCCNC(=O)CN3C(=O)c4ccccc4C3=O)c3CCCCc3nc2c1
Show InChI InChI=1S/C30H33ClN4O3/c31-20-14-15-24-26(18-20)34-25-13-7-6-12-23(25)28(24)33-17-9-3-1-2-8-16-32-27(36)19-35-29(37)21-10-4-5-11-22(21)30(35)38/h4-5,10-11,14-15,18H,1-3,6-9,12-13,16-17,19H2,(H,32,36)(H,33,34)
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n/an/a 660n/an/an/an/an/an/a



Neuropharma



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 405 nm were recorded for 10 min with...

Bioorg Med Chem 13: 6588-97 (2005)


Article DOI: 10.1016/j.bmc.2005.09.029
BindingDB Entry DOI: 10.7270/Q2G73BW9
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM9071
PNG
(2-[7-(Acridin-9-ylamino)-heptyl]-isoindole-1,3-dio...)
Show SMILES O=C1N(CCCCCCCNc2c3ccccc3nc3ccccc23)C(=O)c2ccccc12
Show InChI InChI=1S/C28H27N3O2/c32-27-20-12-4-5-13-21(20)28(33)31(27)19-11-3-1-2-10-18-29-26-22-14-6-8-16-24(22)30-25-17-9-7-15-23(25)26/h4-9,12-17H,1-3,10-11,18-19H2,(H,29,30)
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n/an/a 711n/an/an/an/an/an/a



Neuropharma



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 405 nm were recorded for 10 min with...

Bioorg Med Chem 13: 6588-97 (2005)


Article DOI: 10.1016/j.bmc.2005.09.029
BindingDB Entry DOI: 10.7270/Q2G73BW9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))		BDBM9070
PNG
(2-[6-(Acridin-9-ylamino)-hexyl]-isoindole-1,3-dion...)
Show SMILES O=C1N(CCCCCCNc2c3ccccc3nc3ccccc23)C(=O)c2ccccc12
Show InChI InChI=1S/C27H25N3O2/c31-26-19-11-3-4-12-20(19)27(32)30(26)18-10-2-1-9-17-28-25-21-13-5-7-15-23(21)29-24-16-8-6-14-22(24)25/h3-8,11-16H,1-2,9-10,17-18H2,(H,28,29)
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n/an/a 870n/an/an/an/a8.030



Neuropharma



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 405 nm were recorded for 10 min with...

Bioorg Med Chem 13: 6588-97 (2005)


Article DOI: 10.1016/j.bmc.2005.09.029
BindingDB Entry DOI: 10.7270/Q2G73BW9
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		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 930n/an/an/an/an/an/a



Neuropharma



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 405 nm were recorded for 10 min with...

Bioorg Med Chem 13: 6588-97 (2005)


Article DOI: 10.1016/j.bmc.2005.09.029
BindingDB Entry DOI: 10.7270/Q2G73BW9
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM9072
PNG
(2-[8-(Acridin-9-ylamino)-octyl]-isoindole-1,3-dion...)
Show SMILES O=C1N(CCCCCCCCNc2c3ccccc3nc3ccccc23)C(=O)c2ccccc12
Show InChI InChI=1S/C29H29N3O2/c33-28-21-13-5-6-14-22(21)29(34)32(28)20-12-4-2-1-3-11-19-30-27-23-15-7-9-17-25(23)31-26-18-10-8-16-24(26)27/h5-10,13-18H,1-4,11-12,19-20H2,(H,30,31)
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n/an/a 1.01E+3n/an/an/an/an/an/a



Neuropharma



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 405 nm were recorded for 10 min with...

Bioorg Med Chem 13: 6588-97 (2005)


Article DOI: 10.1016/j.bmc.2005.09.029
BindingDB Entry DOI: 10.7270/Q2G73BW9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))		BDBM9072
PNG
(2-[8-(Acridin-9-ylamino)-octyl]-isoindole-1,3-dion...)
Show SMILES O=C1N(CCCCCCCCNc2c3ccccc3nc3ccccc23)C(=O)c2ccccc12
Show InChI InChI=1S/C29H29N3O2/c33-28-21-13-5-6-14-22(21)29(34)32(28)20-12-4-2-1-3-11-19-30-27-23-15-7-9-17-25(23)31-26-18-10-8-16-24(26)27/h5-10,13-18H,1-4,11-12,19-20H2,(H,30,31)
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n/an/a 1.14E+3n/an/an/an/a8.030



Neuropharma



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 405 nm were recorded for 10 min with...

Bioorg Med Chem 13: 6588-97 (2005)


Article DOI: 10.1016/j.bmc.2005.09.029
BindingDB Entry DOI: 10.7270/Q2G73BW9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))		BDBM9071
PNG
(2-[7-(Acridin-9-ylamino)-heptyl]-isoindole-1,3-dio...)
Show SMILES O=C1N(CCCCCCCNc2c3ccccc3nc3ccccc23)C(=O)c2ccccc12
Show InChI InChI=1S/C28H27N3O2/c32-27-20-12-4-5-13-21(20)28(33)31(27)19-11-3-1-2-10-18-29-26-22-14-6-8-16-24(22)30-25-17-9-7-15-23(25)26/h4-9,12-17H,1-3,10-11,18-19H2,(H,29,30)
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n/an/a 1.55E+3n/an/an/an/a8.030



Neuropharma



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 405 nm were recorded for 10 min with...

Bioorg Med Chem 13: 6588-97 (2005)


Article DOI: 10.1016/j.bmc.2005.09.029
BindingDB Entry DOI: 10.7270/Q2G73BW9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))		BDBM9068
PNG
(2-[7-(1,2,3,4-Tetrahydro-acridin-9-ylamino)-heptyl...)
Show SMILES O=C1N(CCCCCCCNc2c3CCCCc3nc3ccccc23)C(=O)c2ccccc12
Show InChI InChI=1S/C28H31N3O2/c32-27-20-12-4-5-13-21(20)28(33)31(27)19-11-3-1-2-10-18-29-26-22-14-6-8-16-24(22)30-25-17-9-7-15-23(25)26/h4-6,8,12-14,16H,1-3,7,9-11,15,17-19H2,(H,29,30)
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n/an/a 3.01E+3n/an/an/an/a8.030



Neuropharma



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 405 nm were recorded for 10 min with...

Bioorg Med Chem 13: 6588-97 (2005)


Article DOI: 10.1016/j.bmc.2005.09.029
BindingDB Entry DOI: 10.7270/Q2G73BW9
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%