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Compile Data Set for Download or QSAR

Found 585 hits of ic50 for UniProtKB: P23795   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Acetylcholinesterase


(Bos taurus (bovine))		BDBM9022
PNG
(CHEMBL225567 | Indole-Tacrine Heterodimer 5 | N-[5...)
Show SMILES Clc1ccc2c(NCCCCCCNC(=O)CCc3c[nH]c4ccccc34)c3CCCCc3nc2c1
Show InChI InChI=1S/C30H35ClN4O/c31-22-14-15-25-28(19-22)35-27-12-6-4-10-24(27)30(25)33-18-8-2-1-7-17-32-29(36)16-13-21-20-34-26-11-5-3-9-23(21)26/h3,5,9,11,14-15,19-20,34H,1-2,4,6-8,10,12-13,16-18H2,(H,32,36)(H,33,35)
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n/an/a 0.0200n/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 5 min with ...

J Med Chem 48: 7223-33 (2005)


Article DOI: 10.1021/jm0503289
BindingDB Entry DOI: 10.7270/Q2QN64Z5
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))		BDBM9023
PNG
(CHEMBL225198 | Indole-Tacrine Heterodimer 6 | N-[7...)
Show SMILES Clc1ccc2c(NCCCCCCCNC(=O)CCc3c[nH]c4ccccc34)c3CCCCc3nc2c1
Show InChI InChI=1S/C31H37ClN4O/c32-23-15-16-26-29(20-23)36-28-13-7-5-11-25(28)31(26)34-19-9-3-1-2-8-18-33-30(37)17-14-22-21-35-27-12-6-4-10-24(22)27/h4,6,10,12,15-16,20-21,35H,1-3,5,7-9,11,13-14,17-19H2,(H,33,37)(H,34,36)
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n/an/a 0.0600n/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 5 min with ...

J Med Chem 48: 7223-33 (2005)


Article DOI: 10.1021/jm0503289
BindingDB Entry DOI: 10.7270/Q2QN64Z5
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))		BDBM50271142
PNG
(6-Chloro-9-[(3-{4-[(5,6-Dimethoxy-1-oxoindan-2-yl)...)
Show SMILES COc1cc2CC(CC3CCN(CCCNc4c5CCCCc5nc5cc(Cl)ccc45)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C33H40ClN3O3/c1-39-30-18-22-17-23(33(38)27(22)20-31(30)40-2)16-21-10-14-37(15-11-21)13-5-12-35-32-25-6-3-4-7-28(25)36-29-19-24(34)8-9-26(29)32/h8-9,18-21,23H,3-7,10-17H2,1-2H3,(H,35,36)
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n/an/a 0.0900n/an/an/an/an/an/a



Laboratori de Qu�mica Farmac�utica (Unitat Associada al CSIC)

Curated by ChEMBL


Assay Description
Inhibition of bovine erythrocyte AChE by Ellman's assay

J Med Chem 51: 3588-98 (2008)


Article DOI: 10.1021/jm8001313
BindingDB Entry DOI: 10.7270/Q2F76DGK
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))		BDBM50262988
PNG
(CHEMBL1200541 | N-(2-chlorobenzyl)-2-(2-(2-((2-chl...)
Show SMILES CC[N+](CC)(CCNC(=O)C(=O)NCC[N+](CC)(CC)Cc1ccccc1Cl)Cc1ccccc1Cl
Show InChI InChI=1S/C28H40Cl2N4O2/c1-5-33(6-2,21-23-13-9-11-15-25(23)29)19-17-31-27(35)28(36)32-18-20-34(7-3,8-4)22-24-14-10-12-16-26(24)30/h9-16H,5-8,17-22H2,1-4H3/p+2
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n/an/a 0.120n/an/an/an/an/an/a



Università di Bari

Curated by ChEMBL


Assay Description
Inhibition of bovine AChE by Ellman's method

Bioorg Med Chem 16: 7450-6 (2008)


Article DOI: 10.1016/j.bmc.2008.06.022
BindingDB Entry DOI: 10.7270/Q2NC611F
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))		BDBM50262879
PNG
(3-hydroxy-5-(4-(3-hydroxy-5-(trimethylammonio)phen...)
Show SMILES C[N+](C)(C)c1cc(O)cc(OCCCCOc2cc(O)cc(c2)[N+](C)(C)C)c1
Show InChI InChI=1S/C22H32N2O4/c1-23(2,3)17-11-19(25)15-21(13-17)27-9-7-8-10-28-22-14-18(24(4,5)6)12-20(26)16-22/h11-16H,7-10H2,1-6H3/p+2
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n/an/a 0.170n/an/an/an/an/an/a



Università di Bari

Curated by ChEMBL


Assay Description
Inhibition of bovine AChE by Ellman's method

Bioorg Med Chem 16: 7450-6 (2008)


Article DOI: 10.1016/j.bmc.2008.06.022
BindingDB Entry DOI: 10.7270/Q2NC611F
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))		BDBM9009
PNG
(7-(6-Chloro-1,2,3,4-tetrahydro-acridin-9-ylamino)-...)
Show SMILES Clc1ccc2c(NCCCCCCC(=O)NCCc3c[nH]c4ccccc34)c3CCCCc3nc2c1
Show InChI InChI=1S/C30H35ClN4O/c31-22-14-15-25-28(19-22)35-27-12-7-5-10-24(27)30(25)33-17-8-2-1-3-13-29(36)32-18-16-21-20-34-26-11-6-4-9-23(21)26/h4,6,9,11,14-15,19-20,34H,1-3,5,7-8,10,12-13,16-18H2,(H,32,36)(H,33,35)
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n/an/a 0.200n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity was determined against bovine liver beta galactosidase

Eur J Med Chem 128: 332-345 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.060
BindingDB Entry DOI: 10.7270/Q2HM5BQX
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))		BDBM9035
PNG
(Indole-Tacrine Heterodimer 18 | N-[7-(6-Chloro-1,2...)
Show SMILES Clc1ccc2c(NCCCCCCCNC(=O)Cc3c[nH]c4ccccc34)c3CCCCc3nc2c1
Show InChI InChI=1S/C30H35ClN4O/c31-22-14-15-25-28(19-22)35-27-13-7-5-11-24(27)30(25)33-17-9-3-1-2-8-16-32-29(36)18-21-20-34-26-12-6-4-10-23(21)26/h4,6,10,12,14-15,19-20,34H,1-3,5,7-9,11,13,16-18H2,(H,32,36)(H,33,35)
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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 5 min with ...

J Med Chem 48: 7223-33 (2005)


Article DOI: 10.1021/jm0503289
BindingDB Entry DOI: 10.7270/Q2QN64Z5
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))		BDBM9009
PNG
(7-(6-Chloro-1,2,3,4-tetrahydro-acridin-9-ylamino)-...)
Show SMILES Clc1ccc2c(NCCCCCCC(=O)NCCc3c[nH]c4ccccc34)c3CCCCc3nc2c1
Show InChI InChI=1S/C30H35ClN4O/c31-22-14-15-25-28(19-22)35-27-12-7-5-10-24(27)30(25)33-17-8-2-1-3-13-29(36)32-18-16-21-20-34-26-11-6-4-9-23(21)26/h4,6,9,11,14-15,19-20,34H,1-3,5,7-8,10,12-13,16-18H2,(H,32,36)(H,33,35)
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n/an/a 0.200n/an/an/an/a8.030



Instituto de Quimica Medica (CSIC)



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...

J Med Chem 49: 459-62 (2006)


Article DOI: 10.1021/jm050746d
BindingDB Entry DOI: 10.7270/Q2VD6WN2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))		BDBM50369748
PNG
(CHEMBL208599)
Show SMILES CCC1=CC2C[C@H](C1)c1c(C2)nc2cc(Cl)ccc2c1N |t:2,TLB:19:8:5:3.2.7,THB:11:9:5:3.2.7|
Show InChI InChI=1S/C18H19ClN2/c1-2-10-5-11-7-12(6-10)17-16(8-11)21-15-9-13(19)3-4-14(15)18(17)20/h3-5,9,11-12H,2,6-8H2,1H3,(H2,20,21)/t11?,12-/m0/s1
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n/an/a 0.230n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of acetylcholinesterase activity from bovine erythrocytes after 30 minutes of incubation

J Med Chem 43: 4657-66 (2001)


BindingDB Entry DOI: 10.7270/Q2Q52Q9B
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))		BDBM50369748
PNG
(CHEMBL208599)
Show SMILES CCC1=CC2C[C@H](C1)c1c(C2)nc2cc(Cl)ccc2c1N |t:2,TLB:19:8:5:3.2.7,THB:11:9:5:3.2.7|
Show InChI InChI=1S/C18H19ClN2/c1-2-10-5-11-7-12(6-10)17-16(8-11)21-15-9-13(19)3-4-14(15)18(17)20/h3-5,9,11-12H,2,6-8H2,1H3,(H2,20,21)/t11?,12-/m0/s1
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Universitat de Barcelona

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of acetylcholinesterase activity from bovine erythrocytes after 30 minutes of incubation

J Med Chem 43: 4657-66 (2001)


BindingDB Entry DOI: 10.7270/Q2Q52Q9B
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))		BDBM50271140
PNG
(9-[(3-{4-[(5,6-Dimethoxy-1-oxoindan-2-yl)methyl]pi...)
Show SMILES COc1cc2CC(CC3CCN(CCCNc4c5CCCCc5nc5ccccc45)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C33H41N3O3/c1-38-30-20-23-19-24(33(37)27(23)21-31(30)39-2)18-22-12-16-36(17-13-22)15-7-14-34-32-25-8-3-5-10-28(25)35-29-11-6-4-9-26(29)32/h3,5,8,10,20-22,24H,4,6-7,9,11-19H2,1-2H3,(H,34,35)
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n/an/a 0.290n/an/an/an/an/an/a



Laboratori de Qu�mica Farmac�utica (Unitat Associada al CSIC)

Curated by ChEMBL


Assay Description
Inhibition of bovine erythrocyte AChE by Ellman's assay

J Med Chem 51: 3588-98 (2008)


Article DOI: 10.1021/jm8001313
BindingDB Entry DOI: 10.7270/Q2F76DGK
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))		BDBM9037
PNG
(Indole-Tacrine Heterodimer 20 | N-[5-(6-Chloro-1,2...)
Show SMILES Clc1ccc2c(NCCCCCNC(=O)CCCc3c[nH]c4ccccc34)c3CCCCc3nc2c1
Show InChI InChI=1S/C30H35ClN4O/c31-22-15-16-25-28(19-22)35-27-13-5-3-11-24(27)30(25)33-18-7-1-6-17-32-29(36)14-8-9-21-20-34-26-12-4-2-10-23(21)26/h2,4,10,12,15-16,19-20,34H,1,3,5-9,11,13-14,17-18H2,(H,32,36)(H,33,35)
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n/an/a 0.300n/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 5 min with ...

J Med Chem 48: 7223-33 (2005)


Article DOI: 10.1021/jm0503289
BindingDB Entry DOI: 10.7270/Q2QN64Z5
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))		BDBM50262878
PNG
(3-hydroxy-5-(3-(3-hydroxy-5-(trimethylammonio)phen...)
Show SMILES C[N+](C)(C)c1cc(O)cc(OCCCOc2cc(O)cc(c2)[N+](C)(C)C)c1
Show InChI InChI=1S/C21H30N2O4/c1-22(2,3)16-10-18(24)14-20(12-16)26-8-7-9-27-21-13-17(23(4,5)6)11-19(25)15-21/h10-15H,7-9H2,1-6H3/p+2
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n/an/a 0.490n/an/an/an/an/an/a



Università di Bari

Curated by ChEMBL


Assay Description
Inhibition of bovine AChE by Ellman's method

Bioorg Med Chem 16: 7450-6 (2008)


Article DOI: 10.1016/j.bmc.2008.06.022
BindingDB Entry DOI: 10.7270/Q2NC611F
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))		BDBM9038
PNG
(Indole-Tacrine Heterodimer 21 | N-[6-(6-Chloro-1,2...)
Show SMILES Clc1ccc2c(NCCCCCCNC(=O)CCCc3c[nH]c4ccccc34)c3CCCCc3nc2c1
Show InChI InChI=1S/C31H37ClN4O/c32-23-16-17-26-29(20-23)36-28-14-6-4-12-25(28)31(26)34-19-8-2-1-7-18-33-30(37)15-9-10-22-21-35-27-13-5-3-11-24(22)27/h3,5,11,13,16-17,20-21,35H,1-2,4,6-10,12,14-15,18-19H2,(H,33,37)(H,34,36)
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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 5 min with ...

J Med Chem 48: 7223-33 (2005)


Article DOI: 10.1021/jm0503289
BindingDB Entry DOI: 10.7270/Q2QN64Z5
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))		BDBM9024
PNG
(Indole-Tacrine Heterodimer 7 | N-[8-(6-Chloro-1,2,...)
Show SMILES Clc1ccc2c(NCCCCCCCCNC(=O)CCc3c[nH]c4ccccc34)c3CCCCc3nc2c1
Show InChI InChI=1S/C32H39ClN4O/c33-24-16-17-27-30(21-24)37-29-14-8-6-12-26(29)32(27)35-20-10-4-2-1-3-9-19-34-31(38)18-15-23-22-36-28-13-7-5-11-25(23)28/h5,7,11,13,16-17,21-22,36H,1-4,6,8-10,12,14-15,18-20H2,(H,34,38)(H,35,37)
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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 5 min with ...

J Med Chem 48: 7223-33 (2005)


Article DOI: 10.1021/jm0503289
BindingDB Entry DOI: 10.7270/Q2QN64Z5
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))		BDBM50094626
PNG
((+)-15-ethyl-7-fluoro-10-azatetracyclo[11.3.1.02,1...)
Show SMILES CCC1=CC2CC(C1)c1c(C2)nc2cc(F)ccc2c1N |t:2,TLB:19:8:2.3.7:5|
Show InChI InChI=1S/C18H19FN2/c1-2-10-5-11-7-12(6-10)17-16(8-11)21-15-9-13(19)3-4-14(15)18(17)20/h3-5,9,11-12H,2,6-8H2,1H3,(H2,20,21)
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n/an/a 0.5n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of acetylcholinesterase activity from bovine erythrocytes after 30 minutes of incubation

J Med Chem 43: 4657-66 (2001)


BindingDB Entry DOI: 10.7270/Q2Q52Q9B
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))		BDBM50271141
PNG
(6-Chloro-9-[(2-{4-[(5,6-dimethoxy-1-oxoindan-2-yl)...)
Show SMILES COc1cc2CC(CC3CCN(CCNc4c5CCCCc5nc5cc(Cl)ccc45)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C32H38ClN3O3/c1-38-29-17-21-16-22(32(37)26(21)19-30(29)39-2)15-20-9-12-36(13-10-20)14-11-34-31-24-5-3-4-6-27(24)35-28-18-23(33)7-8-25(28)31/h7-8,17-20,22H,3-6,9-16H2,1-2H3,(H,34,35)
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n/an/a 0.570n/an/an/an/an/an/a



Laboratori de Qu�mica Farmac�utica (Unitat Associada al CSIC)

Curated by ChEMBL


Assay Description
Inhibition of bovine erythrocyte AChE by Ellman's assay

J Med Chem 51: 3588-98 (2008)


Article DOI: 10.1021/jm8001313
BindingDB Entry DOI: 10.7270/Q2F76DGK
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))		BDBM9036
PNG
(2-(5-Bromo-1H-indol-3-yl)-N-[7-(6-chloro-1,2,3,4-t...)
Show SMILES Clc1ccc2c(NCCCCCCCNC(=O)Cc3c[nH]c4ccc(Br)cc34)c3CCCCc3nc2c1
Show InChI InChI=1S/C30H34BrClN4O/c31-21-10-13-26-25(17-21)20(19-35-26)16-29(37)33-14-6-2-1-3-7-15-34-30-23-8-4-5-9-27(23)36-28-18-22(32)11-12-24(28)30/h10-13,17-19,35H,1-9,14-16H2,(H,33,37)(H,34,36)
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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 5 min with ...

J Med Chem 48: 7223-33 (2005)


Article DOI: 10.1021/jm0503289
BindingDB Entry DOI: 10.7270/Q2QN64Z5
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))		BDBM10592
PNG
(7-chloro-15-methyl-10-azatetracyclo[11.3.1.0^{2,11...)
Show SMILES CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1N |t:1|
Show InChI InChI=1S/C17H17ClN2/c1-9-4-10-6-11(5-9)16-15(7-10)20-14-8-12(18)2-3-13(14)17(16)19/h2-4,8,10-11H,5-7H2,1H3,(H2,19,20)
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n/an/a 0.640n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of acetylcholinesterase activity from bovine erythrocytes after 30 minutes of incubation

J Med Chem 43: 4657-66 (2001)


BindingDB Entry DOI: 10.7270/Q2Q52Q9B
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))		BDBM10592
PNG
(7-chloro-15-methyl-10-azatetracyclo[11.3.1.0^{2,11...)
Show SMILES CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1N |t:1|
Show InChI InChI=1S/C17H17ClN2/c1-9-4-10-6-11(5-9)16-15(7-10)20-14-8-12(18)2-3-13(14)17(16)19/h2-4,8,10-11H,5-7H2,1H3,(H2,19,20)
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n/an/a 0.640n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of acetylcholinesterase activity from bovine erythrocytes after 30 minutes of incubation

J Med Chem 43: 4657-66 (2001)


BindingDB Entry DOI: 10.7270/Q2Q52Q9B
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))		BDBM9029
PNG
(Indole-Tacrine Heterodimer 12 | N-[6-(6-Chloro-1,2...)
Show SMILES Clc1ccc2c(NCCCCCCNC(=O)CCc3c[nH]c4ccc(cc34)C#N)c3CCCCc3nc2c1
Show InChI InChI=1S/C31H34ClN5O/c32-23-11-12-25-29(18-23)37-28-8-4-3-7-24(28)31(25)35-16-6-2-1-5-15-34-30(38)14-10-22-20-36-27-13-9-21(19-33)17-26(22)27/h9,11-13,17-18,20,36H,1-8,10,14-16H2,(H,34,38)(H,35,37)
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n/an/a 0.700n/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 5 min with ...

J Med Chem 48: 7223-33 (2005)


Article DOI: 10.1021/jm0503289
BindingDB Entry DOI: 10.7270/Q2QN64Z5
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))		BDBM9042
PNG
(2-(1H-indol-3-yl)ethyl N-{6-[(6-chloro-1,2,3,4-tet...)
Show SMILES Clc1ccc2c(NCCCCCCNC(=O)OCCc3c[nH]c4ccccc34)c3CCCCc3nc2c1
Show InChI InChI=1S/C30H35ClN4O2/c31-22-13-14-25-28(19-22)35-27-12-6-4-10-24(27)29(25)32-16-7-1-2-8-17-33-30(36)37-18-15-21-20-34-26-11-5-3-9-23(21)26/h3,5,9,11,13-14,19-20,34H,1-2,4,6-8,10,12,15-18H2,(H,32,35)(H,33,36)
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n/an/a 0.700n/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 5 min with ...

J Med Chem 48: 7223-33 (2005)


Article DOI: 10.1021/jm0503289
BindingDB Entry DOI: 10.7270/Q2QN64Z5
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))		BDBM50271192
PNG
(6-Chloro-9-[(3-{4-[(5,6-dimethoxyindan-2-yl)methyl...)
Show SMILES COc1cc2CC(CC3CCN(CCCNc4c5CCCCc5nc5cc(Cl)ccc45)CC3)Cc2cc1OC
Show InChI InChI=1S/C33H42ClN3O2/c1-38-31-19-24-17-23(18-25(24)20-32(31)39-2)16-22-10-14-37(15-11-22)13-5-12-35-33-27-6-3-4-7-29(27)36-30-21-26(34)8-9-28(30)33/h8-9,19-23H,3-7,10-18H2,1-2H3,(H,35,36)
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n/an/a 0.820n/an/an/an/an/an/a



Laboratori de Qu�mica Farmac�utica (Unitat Associada al CSIC)

Curated by ChEMBL


Assay Description
Inhibition of bovine erythrocyte AChE by Ellman's assay

J Med Chem 51: 3588-98 (2008)


Article DOI: 10.1021/jm8001313
BindingDB Entry DOI: 10.7270/Q2F76DGK
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))		BDBM50271190
PNG
(9-[(3-{4-[(5,6-dimethoxyindan-2-yl)methyl]piperidi...)
Show SMILES COc1cc2CC(CC3CCN(CCCNc4c5CCCCc5nc5ccccc45)CC3)Cc2cc1OC
Show InChI InChI=1S/C33H43N3O2/c1-37-31-21-25-19-24(20-26(25)22-32(31)38-2)18-23-12-16-36(17-13-23)15-7-14-34-33-27-8-3-5-10-29(27)35-30-11-6-4-9-28(30)33/h3,5,8,10,21-24H,4,6-7,9,11-20H2,1-2H3,(H,34,35)
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n/an/a 0.820n/an/an/an/an/an/a



Laboratori de Qu�mica Farmac�utica (Unitat Associada al CSIC)

Curated by ChEMBL


Assay Description
Inhibition of bovine erythrocyte AChE by Ellman's assay

J Med Chem 51: 3588-98 (2008)


Article DOI: 10.1021/jm8001313
BindingDB Entry DOI: 10.7270/Q2F76DGK
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))		BDBM9007
PNG
(7-(1,2,3,4-Tetrahydro-acridin-9-ylamino)-heptanoic...)
Show SMILES O=C(CCCCCCNc1c2CCCCc2nc2ccccc12)NCCc1c[nH]c2ccccc12
Show InChI InChI=1S/C30H36N4O/c35-29(31-20-18-22-21-33-26-14-7-4-11-23(22)26)17-3-1-2-10-19-32-30-24-12-5-8-15-27(24)34-28-16-9-6-13-25(28)30/h4-5,7-8,11-12,14-15,21,33H,1-3,6,9-10,13,16-20H2,(H,31,35)(H,32,34)
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n/an/a 1n/an/an/an/a8.030



Instituto de Quimica Medica (CSIC)



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...

J Med Chem 49: 459-62 (2006)


Article DOI: 10.1021/jm050746d
BindingDB Entry DOI: 10.7270/Q2VD6WN2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))		BDBM50262926
PNG
(3-(4-(3,4-dimethyl-2-oxo-2H-chromen-7-yloxy)butoxy...)
Show SMILES Cc1c(C)c(=O)oc2cc(OCCCCOc3cc(O)cc(c3)[N+](C)(C)C)ccc12
Show InChI InChI=1S/C24H29NO5/c1-16-17(2)24(27)30-23-15-20(8-9-22(16)23)28-10-6-7-11-29-21-13-18(25(3,4)5)12-19(26)14-21/h8-9,12-15H,6-7,10-11H2,1-5H3/p+1
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n/an/a 1n/an/an/an/an/an/a



Università di Bari

Curated by ChEMBL


Assay Description
Inhibition of bovine AChE by Ellman's method

Bioorg Med Chem 16: 7450-6 (2008)


Article DOI: 10.1016/j.bmc.2008.06.022
BindingDB Entry DOI: 10.7270/Q2NC611F
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))		BDBM9006
PNG
(6-(1,2,3,4-Tetrahydro-acridin-9-ylamino)-hexanoic ...)
Show SMILES O=C(CCCCCNc1c2CCCCc2nc2ccccc12)NCCc1c[nH]c2ccccc12
Show InChI InChI=1S/C29H34N4O/c34-28(30-19-17-21-20-32-25-13-6-3-10-22(21)25)16-2-1-9-18-31-29-23-11-4-7-14-26(23)33-27-15-8-5-12-24(27)29/h3-4,6-7,10-11,13-14,20,32H,1-2,5,8-9,12,15-19H2,(H,30,34)(H,31,33)
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n/an/a 1n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of bovine erythrocyte AchE using acetylthiocholine as substrate by Ellman's method

Eur J Med Chem 128: 332-345 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.060
BindingDB Entry DOI: 10.7270/Q2HM5BQX
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))		BDBM10592
PNG
(7-chloro-15-methyl-10-azatetracyclo[11.3.1.0^{2,11...)
Show SMILES CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1N |t:1|
Show InChI InChI=1S/C17H17ClN2/c1-9-4-10-6-11(5-9)16-15(7-10)20-14-8-12(18)2-3-13(14)17(16)19/h2-4,8,10-11H,5-7H2,1H3,(H2,19,20)
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n/an/a 1.10n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against bovine acetylcholinesterase

J Med Chem 47: 4471-82 (2004)


Article DOI: 10.1021/jm049877p
BindingDB Entry DOI: 10.7270/Q26974WJ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))		BDBM50200334
PNG
((-)-(7S,11S)-huprine H3)
Show SMILES CC1=C[C@H]2C[C@@H](C1)c1c(C2)[nH+]c2cc(Cl)ccc2c1N |t:1|
Show InChI InChI=1S/C17H17ClN2/c1-9-4-10-6-11(5-9)16-15(7-10)20-14-8-12(18)2-3-13(14)17(16)19/h2-4,8,10-11H,5-7H2,1H3,(H2,19,20)/p+1
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n/an/a 1.15n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of bovine erythrocyte AChE

J Med Chem 49: 6833-40 (2006)


Article DOI: 10.1021/jm060945c
BindingDB Entry DOI: 10.7270/Q29K4C1S
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))		BDBM10592
PNG
(7-chloro-15-methyl-10-azatetracyclo[11.3.1.0^{2,11...)
Show SMILES CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1N |t:1|
Show InChI InChI=1S/C17H17ClN2/c1-9-4-10-6-11(5-9)16-15(7-10)20-14-8-12(18)2-3-13(14)17(16)19/h2-4,8,10-11H,5-7H2,1H3,(H2,19,20)
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n/an/a 1.15n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of acetylcholinesterase of bovine erythrocytes

J Med Chem 43: 4657-66 (2001)


BindingDB Entry DOI: 10.7270/Q2Q52Q9B
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))		BDBM50462398
PNG
(CHEMBL4249848)
Show SMILES CCC1CCC2CC(Cc3nc4ccccc4c(N)c23)C1 |TLB:17:19:6:4.3.2.20,THB:1:2:6:9.19.8|
Show InChI InChI=1S/C19H24N2/c1-2-12-7-8-14-10-13(9-12)11-17-18(14)19(20)15-5-3-4-6-16(15)21-17/h3-6,12-14H,2,7-11H2,1H3,(H2,20,21)
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n/an/a 1.20n/an/an/an/an/an/a



Punjabi University

Curated by ChEMBL


Assay Description
Inhibition of bovine erythrocyte AchE using acetylthiocholine iodide as substrate after 15 mins by spectrophotometric analysis

Eur J Med Chem 151: 62-97 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.057
BindingDB Entry DOI: 10.7270/Q2NC63V1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))		BDBM50462402
PNG
(CHEMBL4249379)
Show SMILES CC1CCC2CC(Cc3nc4ccccc4c(N)c23)C1 |TLB:16:18:5:3.2.1.19,THB:0:1:5:8.18.7|
Show InChI InChI=1S/C18H22N2/c1-11-6-7-13-9-12(8-11)10-16-17(13)18(19)14-4-2-3-5-15(14)20-16/h2-5,11-13H,6-10H2,1H3,(H2,19,20)
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n/an/a 1.30n/an/an/an/an/an/a



Punjabi University

Curated by ChEMBL


Assay Description
Inhibition of bovine erythrocyte AchE using acetylthiocholine iodide as substrate after 15 mins by spectrophotometric analysis

Eur J Med Chem 151: 62-97 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.057
BindingDB Entry DOI: 10.7270/Q2NC63V1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))		BDBM10597
PNG
((1S)-7-chloro-15-ethyl-10-azatetracyclo[11.3.1.0^{...)
Show SMILES CCC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1N |t:2,TLB:11:9:5:3.2.7,19:8:5:3.2.7|
Show InChI InChI=1S/C18H19ClN2/c1-2-10-5-11-7-12(6-10)17-16(8-11)21-15-9-13(19)3-4-14(15)18(17)20/h3-5,9,11-12H,2,6-8H2,1H3,(H2,20,21)
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n/an/a 1.30n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against bovine acetylcholinesterase

J Med Chem 47: 4471-82 (2004)


Article DOI: 10.1021/jm049877p
BindingDB Entry DOI: 10.7270/Q26974WJ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))		BDBM50200343
PNG
((-)-(7S,11S)-huprine H7)
Show SMILES CCC1=C[C@H]2C[C@@H](C1)c1c(C2)[nH+]c2cc(Cl)ccc2c1N |t:2|
Show InChI InChI=1S/C18H19ClN2/c1-2-10-5-11-7-12(6-10)17-16(8-11)21-15-9-13(19)3-4-14(15)18(17)20/h3-5,9,11-12H,2,6-8H2,1H3,(H2,20,21)/p+1
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Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of bovine erythrocyte AChE

J Med Chem 49: 6833-40 (2006)


Article DOI: 10.1021/jm060945c
BindingDB Entry DOI: 10.7270/Q29K4C1S
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))		BDBM9041
PNG
(2-(1H-indol-3-yl)ethyl N-{5-[(6-chloro-1,2,3,4-tet...)
Show SMILES Clc1ccc2c(NCCCCCNC(=O)OCCc3c[nH]c4ccccc34)c3CCCCc3nc2c1
Show InChI InChI=1S/C29H33ClN4O2/c30-21-12-13-24-27(18-21)34-26-11-5-3-9-23(26)28(24)31-15-6-1-7-16-32-29(35)36-17-14-20-19-33-25-10-4-2-8-22(20)25/h2,4,8,10,12-13,18-19,33H,1,3,5-7,9,11,14-17H2,(H,31,34)(H,32,35)
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n/an/a 1.5n/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 5 min with ...

J Med Chem 48: 7223-33 (2005)


Article DOI: 10.1021/jm0503289
BindingDB Entry DOI: 10.7270/Q2QN64Z5
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))		BDBM50377921
PNG
(SODIUM NITROPRUSSIDE)
Show SMILES O=N[Fe--](C#N)(C#N)(C#N)(C#N)C#N
Show InChI InChI=1S/5CN.Fe.NO/c5*1-2;;1-2/q;;;;;2*-1
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n/an/a 1.74n/an/an/an/an/an/a



Laboratori de Qu�mica Farmac�utica (Unitat Associada al CSIC)

Curated by ChEMBL


Assay Description
Inhibition of bovine erythrocyte AChE by Ellman's assay

J Med Chem 51: 3588-98 (2008)


Article DOI: 10.1021/jm8001313
BindingDB Entry DOI: 10.7270/Q2F76DGK
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))		BDBM50271191
PNG
(6-Chloro-9-[(2-{4-[(5,6-dimethoxyindan-2-yl)methyl...)
Show SMILES COc1cc2CC(CC3CCN(CCNc4c5CCCCc5nc5cc(Cl)ccc45)CC3)Cc2cc1OC
Show InChI InChI=1S/C32H40ClN3O2/c1-37-30-18-23-16-22(17-24(23)19-31(30)38-2)15-21-9-12-36(13-10-21)14-11-34-32-26-5-3-4-6-28(26)35-29-20-25(33)7-8-27(29)32/h7-8,18-22H,3-6,9-17H2,1-2H3,(H,34,35)
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n/an/a 1.86n/an/an/an/an/an/a



Laboratori de Qu�mica Farmac�utica (Unitat Associada al CSIC)

Curated by ChEMBL


Assay Description
Inhibition of bovine erythrocyte AChE by Ellman's assay

J Med Chem 51: 3588-98 (2008)


Article DOI: 10.1021/jm8001313
BindingDB Entry DOI: 10.7270/Q2F76DGK
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))		BDBM50094626
PNG
((+)-15-ethyl-7-fluoro-10-azatetracyclo[11.3.1.02,1...)
Show SMILES CCC1=CC2CC(C1)c1c(C2)nc2cc(F)ccc2c1N |t:2,TLB:19:8:2.3.7:5|
Show InChI InChI=1S/C18H19FN2/c1-2-10-5-11-7-12(6-10)17-16(8-11)21-15-9-13(19)3-4-14(15)18(17)20/h3-5,9,11-12H,2,6-8H2,1H3,(H2,20,21)
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n/an/a 1.91n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of acetylcholinesterase activity from bovine erythrocytes after 0 minutes of incubation

J Med Chem 43: 4657-66 (2001)


BindingDB Entry DOI: 10.7270/Q2Q52Q9B
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))		BDBM9008
PNG
(6-(6-Chloro-1,2,3,4-tetrahydro-acridin-9-ylamino)-...)
Show SMILES Clc1ccc2c(NCCCCCC(=O)NCCc3c[nH]c4ccccc34)c3CCCCc3nc2c1
Show InChI InChI=1S/C29H33ClN4O/c30-21-13-14-24-27(18-21)34-26-11-6-4-9-23(26)29(24)32-16-7-1-2-12-28(35)31-17-15-20-19-33-25-10-5-3-8-22(20)25/h3,5,8,10,13-14,18-19,33H,1-2,4,6-7,9,11-12,15-17H2,(H,31,35)(H,32,34)
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n/an/a 2n/an/an/an/a8.030



Instituto de Quimica Medica (CSIC)



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...

J Med Chem 49: 459-62 (2006)


Article DOI: 10.1021/jm050746d
BindingDB Entry DOI: 10.7270/Q2VD6WN2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))		BDBM9012
PNG
(7-(6,8-Dichloro-1,2,3,4-tetrahydro-acridin-9-ylami...)
Show SMILES Clc1cc(Cl)c2c(NCCCCCCC(=O)NCCc3c[nH]c4ccccc34)c3CCCCc3nc2c1
Show InChI InChI=1S/C30H34Cl2N4O/c31-21-17-24(32)29-27(18-21)36-26-12-7-5-10-23(26)30(29)34-15-8-2-1-3-13-28(37)33-16-14-20-19-35-25-11-6-4-9-22(20)25/h4,6,9,11,17-19,35H,1-3,5,7-8,10,12-16H2,(H,33,37)(H,34,36)
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n/an/a 2n/an/an/an/a8.030



Instituto de Quimica Medica (CSIC)



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...

J Med Chem 49: 459-62 (2006)


Article DOI: 10.1021/jm050746d
BindingDB Entry DOI: 10.7270/Q2VD6WN2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))		BDBM50262880
PNG
(3-(3-(3,4-dimethyl-2-oxo-2H-chromen-7-yloxy)propox...)
Show SMILES Cc1c(C)c(=O)oc2cc(OCCCOc3cc(O)cc(c3)[N+](C)(C)C)ccc12
Show InChI InChI=1S/C23H27NO5/c1-15-16(2)23(26)29-22-14-19(7-8-21(15)22)27-9-6-10-28-20-12-17(24(3,4)5)11-18(25)13-20/h7-8,11-14H,6,9-10H2,1-5H3/p+1
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n/an/a 2.10n/an/an/an/an/an/a



Università di Bari

Curated by ChEMBL


Assay Description
Inhibition of bovine AChE by Ellman's method

Bioorg Med Chem 16: 7450-6 (2008)


Article DOI: 10.1016/j.bmc.2008.06.022
BindingDB Entry DOI: 10.7270/Q2NC611F
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))		BDBM50271189
PNG
(9-[(2-{4-[(5,6-Dimethoxyindan-2-yl)methyl]piperidi...)
Show SMILES COc1cc2CC(CC3CCN(CCNc4c5CCCCc5nc5ccccc45)CC3)Cc2cc1OC
Show InChI InChI=1S/C32H41N3O2/c1-36-30-20-24-18-23(19-25(24)21-31(30)37-2)17-22-11-14-35(15-12-22)16-13-33-32-26-7-3-5-9-28(26)34-29-10-6-4-8-27(29)32/h3,5,7,9,20-23H,4,6,8,10-19H2,1-2H3,(H,33,34)
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n/an/a 2.28n/an/an/an/an/an/a



Laboratori de Qu�mica Farmac�utica (Unitat Associada al CSIC)

Curated by ChEMBL


Assay Description
Inhibition of bovine erythrocyte AChE by Ellman's assay

J Med Chem 51: 3588-98 (2008)


Article DOI: 10.1021/jm8001313
BindingDB Entry DOI: 10.7270/Q2F76DGK
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))		BDBM9014
PNG
(7-(1,2,3,4-Tetrahydro-acridin-9-ylamino)-heptanoic...)
Show SMILES COc1ccc2[nH]cc(CCNC(=O)CCCCCCNc3c4CCCCc4nc4ccccc34)c2c1
Show InChI InChI=1S/C31H38N4O2/c1-37-23-15-16-27-26(20-23)22(21-34-27)17-19-32-30(36)14-4-2-3-9-18-33-31-24-10-5-7-12-28(24)35-29-13-8-6-11-25(29)31/h5,7,10,12,15-16,20-21,34H,2-4,6,8-9,11,13-14,17-19H2,1H3,(H,32,36)(H,33,35)
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n/an/a 2.30n/an/an/an/a8.030



Instituto de Quimica Medica (CSIC)



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...

J Med Chem 49: 459-62 (2006)


Article DOI: 10.1021/jm050746d
BindingDB Entry DOI: 10.7270/Q2VD6WN2
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))		BDBM50094633
PNG
(5,7-difluoro-15-methyl-10-azatetracyclo[11.3.1.02,...)
Show SMILES CC1=CC2CC(C1)c1c(C2)nc2cc(F)cc(F)c2c1N |t:1,TLB:19:7:1.2.6:4|
Show InChI InChI=1S/C17H16F2N2/c1-8-2-9-4-10(3-8)15-13(5-9)21-14-7-11(18)6-12(19)16(14)17(15)20/h2,6-7,9-10H,3-5H2,1H3,(H2,20,21)
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n/an/a 2.43n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of acetylcholinesterase of bovine erythrocytes

J Med Chem 43: 4657-66 (2001)


BindingDB Entry DOI: 10.7270/Q2Q52Q9B
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))		BDBM50094631
PNG
(15-ethyl-5,7-difluoro-10-azatetracyclo[11.3.1.02,1...)
Show SMILES CCC1=CC2CC(C1)c1c(C2)nc2cc(F)cc(F)c2c1N |t:2,TLB:20:8:2.3.7:5|
Show InChI InChI=1S/C18H18F2N2/c1-2-9-3-10-5-11(4-9)16-14(6-10)22-15-8-12(19)7-13(20)17(15)18(16)21/h3,7-8,10-11H,2,4-6H2,1H3,(H2,21,22)
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n/an/a 2.62n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of acetylcholinesterase of bovine erythrocytes

J Med Chem 43: 4657-66 (2001)


BindingDB Entry DOI: 10.7270/Q2Q52Q9B
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))		BDBM50369748
PNG
(CHEMBL208599)
Show SMILES CCC1=CC2C[C@H](C1)c1c(C2)nc2cc(Cl)ccc2c1N |t:2,TLB:19:8:5:3.2.7,THB:11:9:5:3.2.7|
Show InChI InChI=1S/C18H19ClN2/c1-2-10-5-11-7-12(6-10)17-16(8-11)21-15-9-13(19)3-4-14(15)18(17)20/h3-5,9,11-12H,2,6-8H2,1H3,(H2,20,21)/t11?,12-/m0/s1
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n/an/a 2.77n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of acetylcholinesterase of bovine erythrocytes

J Med Chem 43: 4657-66 (2001)


BindingDB Entry DOI: 10.7270/Q2Q52Q9B
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))		BDBM10597
PNG
((1S)-7-chloro-15-ethyl-10-azatetracyclo[11.3.1.0^{...)
Show SMILES CCC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1N |t:2,TLB:11:9:5:3.2.7,19:8:5:3.2.7|
Show InChI InChI=1S/C18H19ClN2/c1-2-10-5-11-7-12(6-10)17-16(8-11)21-15-9-13(19)3-4-14(15)18(17)20/h3-5,9,11-12H,2,6-8H2,1H3,(H2,20,21)
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n/an/a 2.77n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of bovine erythrocyte AChE

J Med Chem 49: 6833-40 (2006)


Article DOI: 10.1021/jm060945c
BindingDB Entry DOI: 10.7270/Q29K4C1S
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))		BDBM50369748
PNG
(CHEMBL208599)
Show SMILES CCC1=CC2C[C@H](C1)c1c(C2)nc2cc(Cl)ccc2c1N |t:2,TLB:19:8:5:3.2.7,THB:11:9:5:3.2.7|
Show InChI InChI=1S/C18H19ClN2/c1-2-10-5-11-7-12(6-10)17-16(8-11)21-15-9-13(19)3-4-14(15)18(17)20/h3-5,9,11-12H,2,6-8H2,1H3,(H2,20,21)/t11?,12-/m0/s1
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n/an/a 2.77n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of acetylcholinesterase of bovine erythrocytes

J Med Chem 43: 4657-66 (2001)


BindingDB Entry DOI: 10.7270/Q2Q52Q9B
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
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