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Compile Data Set for Download or QSAR

Found 2496 hits of ic50 data for polymerid = 1043,1045,1064,236   
Target
(Institution)
LigandTarget
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 ...


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)
BDBM50304324
PNG
((1R,9R)-1-{[1-(3,5-Dimethoxy-phenyl)-methylidene]-...)
Show SMILES COc1cc(OC)cc(\C=N\[C@@]23CC(C)=C[C@@H](Cc4[nH]c(=O)ccc24)\C3=C/C)c1
Show InChI InChI=1S/C24H26N2O3/c1-5-20-17-8-15(2)13-24(20,21-6-7-23(27)26-22(21)11-17)25-14-16-9-18(28-3)12-19(10-16)29-4/h5-10,12,14,17H,11,13H2,1-4H3,(H,26,27)/b20-5+,25-14+/t17-,24+/m0/s1
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n/an/a 0.0200n/an/an/an/an/an/a



The Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of Torpedo california AChE by Ellman's method


Citation and Details
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
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 0.0245n/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)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)
BDBM50304322
PNG
((1R,9R)-13-Eth-(E)-ylidene-1-{[1-(4-methoxy-phenyl...)
Show SMILES COc1ccc(\C=N\[C@@]23CC(C)=C[C@@H](Cc4[nH]c(=O)ccc24)\C3=C/C)cc1
Show InChI InChI=1S/C23H24N2O2/c1-4-19-17-11-15(2)13-23(19,20-9-10-22(26)25-21(20)12-17)24-14-16-5-7-18(27-3)8-6-16/h4-11,14,17H,12-13H2,1-3H3,(H,25,26)/b19-4+,24-14+/t17-,23+/m0/s1
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n/an/a 0.0246n/an/an/an/an/an/a



The Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of Torpedo california AChE by Ellman's method


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)
BDBM50304326
PNG
(4-{[13-Ethylidene-11-methyl-5-oxo-6-aza-tricyclo[7...)
Show SMILES C\C=C1/[C@@H]2Cc3[nH]c(=O)ccc3[C@]1(CC(C)=C2)\N=C\c1ccc(cc1)C#N
Show InChI InChI=1S/C23H21N3O/c1-3-19-18-10-15(2)12-23(19,20-8-9-22(27)26-21(20)11-18)25-14-17-6-4-16(13-24)5-7-17/h3-10,14,18H,11-12H2,1-2H3,(H,26,27)/b19-3+,25-14+/t18-,23+/m0/s1
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n/an/a 0.0412n/an/an/an/an/an/a



The Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of Torpedo california AChE by Ellman's method


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)
BDBM50304325
PNG
(1-{[1-(2,4-Dimethoxy-phenyl)-methylidene]-amino}-1...)
Show SMILES COc1ccc(\C=N\[C@@]23CC(C)=C[C@@H](Cc4[nH]c(=O)ccc24)\C3=C/C)c(OC)c1
Show InChI InChI=1S/C24H26N2O3/c1-5-19-17-10-15(2)13-24(19,20-8-9-23(27)26-21(20)11-17)25-14-16-6-7-18(28-3)12-22(16)29-4/h5-10,12,14,17H,11,13H2,1-4H3,(H,26,27)/b19-5+,25-14+/t17-,24+/m0/s1
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n/an/a 0.0446n/an/an/an/an/an/a



The Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of Torpedo california AChE by Ellman's method


Citation and Details
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 ...


Citation and Details
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
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 0.0674n/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)

More data for this
Ligand-Target Pair
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)


(Rattus norvegicus (rat))
BDBM9054
PNG
(6-chloro-N-{7-[(6-chloro-1,2,3,4-tetrahydroacridin...)
Show SMILES Clc1ccc2c(NCCCCCCCNc3c4CCCCc4nc4cc(Cl)ccc34)c3CCCCc3nc2c1
Show InChI InChI=1S/C33H38Cl2N4/c34-22-14-16-26-30(20-22)38-28-12-6-4-10-24(28)32(26)36-18-8-2-1-3-9-19-37-33-25-11-5-7-13-29(25)39-31-21-23(35)15-17-27(31)33/h14-17,20-21H,1-13,18-19H2,(H,36,38)(H,37,39)
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n/an/a 0.0700n/an/an/an/a7.437



National Defense Medical Center



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at...


Citation and Details
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


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)
BDBM50304330
PNG
((1R,9R)-1-[3-(4-Dimethylamino-phenyl)-prop-2-enyli...)
Show SMILES C\C=C1/[C@@H]2Cc3[nH]c(=O)ccc3[C@]1(CC(C)=C2)\N=C\C=C\c1ccc(cc1)N(C)C
Show InChI InChI=1S/C26H29N3O/c1-5-22-20-15-18(2)17-26(22,23-12-13-25(30)28-24(23)16-20)27-14-6-7-19-8-10-21(11-9-19)29(3)4/h5-15,20H,16-17H2,1-4H3,(H,28,30)/b7-6+,22-5+,27-14+/t20-,26+/m0/s1
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n/an/a 0.121n/an/an/an/an/an/a



The Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of Torpedo california AChE by Ellman's method


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)


(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 0.200n/an/an/an/a7.437



National Defense Medical Center



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at...


Citation and Details
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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n/an/a 0.200n/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 ...


Citation and Details
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 ...


Citation and Details
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
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)

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


Citation and Details
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 ...


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM9410
PNG
(N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-ethyl-4-(phe...)
Show SMILES CCN(CCC1CCN(Cc2ccccc2)CC1)C(=O)c1ccc(cc1)S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C30H36N2O3S/c1-2-32(22-19-25-17-20-31(21-18-25)23-26-9-5-3-6-10-26)30(33)28-13-15-29(16-14-28)36(34,35)24-27-11-7-4-8-12-27/h3-16,25H,2,17-24H2,1H3
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n/an/a 0.300n/an/an/an/a7.425



Tsukuba Research Laboratories



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The amount of a yellow substance formed after incubation was d...


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)


(Rattus norvegicus (rat))
BDBM9055
PNG
(6-chloro-N-{8-[(6-chloro-1,2,3,4-tetrahydroacridin...)
Show SMILES Clc1ccc2c(NCCCCCCCCNc3c4CCCCc4nc4cc(Cl)ccc34)c3CCCCc3nc2c1
Show InChI InChI=1S/C34H40Cl2N4/c35-23-15-17-27-31(21-23)39-29-13-7-5-11-25(29)33(27)37-19-9-3-1-2-4-10-20-38-34-26-12-6-8-14-30(26)40-32-22-24(36)16-18-28(32)34/h15-18,21-22H,1-14,19-20H2,(H,37,39)(H,38,40)
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n/an/a 0.300n/an/an/an/a7.437



National Defense Medical Center



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at...


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM9410
PNG
(N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-ethyl-4-(phe...)
Show SMILES CCN(CCC1CCN(Cc2ccccc2)CC1)C(=O)c1ccc(cc1)S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C30H36N2O3S/c1-2-32(22-19-25-17-20-31(21-18-25)23-26-9-5-3-6-10-26)30(33)28-13-15-29(16-14-28)36(34,35)24-27-11-7-4-8-12-27/h3-16,25H,2,17-24H2,1H3
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n/an/a 0.301n/an/an/an/an/an/a



University of Missouri-St. Louis

Curated by ChEMBL


Assay Description
Inhibition against Acetylcholinesterase (AChE)


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)


(Rattus norvegicus (rat))
BDBM50037158
PNG
(CHEMBL106739 | Methyl-carbamic acid 3-({ethyl-[5-(...)
Show SMILES CCN(CCCCCN1C(=O)c2ccc(cc2C1=O)[N+]([O-])=O)Cc1cccc(OC(=O)NC)c1
Show InChI InChI=1S/C24H28N4O6/c1-3-26(16-17-8-7-9-19(14-17)34-24(31)25-2)12-5-4-6-13-27-22(29)20-11-10-18(28(32)33)15-21(20)23(27)30/h7-11,14-15H,3-6,12-13,16H2,1-2H3,(H,25,31)
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n/an/a 0.380n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Inhibition concentration against rat acetylcholinesterase


J Med Chem 37: 3141-53 (1994)

More data for this
Ligand-Target Pair
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)


(Rattus norvegicus (rat))
BDBM50149212
PNG
(CHEMBL117521 | N-(1,2,3,4,8a,10a-Hexahydro-acridin...)
Show SMILES C(CCCNC1=C2CCCCC2=NC2C=CCC=C12)CCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C33H42N4/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/h4,8,10,14,16,18,20,30,35H,1-3,5-7,9,11-13,15,17,19,21-23H2,(H,34,36)
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n/an/a 0.400n/an/an/an/an/an/a



Sunesis Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against Acetylcholinesterase in rat brain


Citation and Details
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


Citation and Details
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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n/an/a 0.5n/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 ...


Citation and Details
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
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)

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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n/an/a 0.5n/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 ...


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)


(Rattus norvegicus (rat))
BDBM50398922
PNG
(CHEMBL2178790)
Show SMILES COc1ccc2CN(CCCCCCCCN(C)C34CC5CC(C)(CC(C)(C5)C3)C4)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24
Show InChI InChI=1S/C37H56N2O3/c1-34-20-27-21-35(2,24-34)26-36(22-27,25-34)38(3)16-9-7-5-6-8-10-17-39-18-15-37-14-13-29(40)19-31(37)42-33-30(41-4)12-11-28(23-39)32(33)37/h11-14,27,29,31,40H,5-10,15-26H2,1-4H3/t27?,29-,31-,34?,35?,36?,37-/m0/s1
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n/an/a 0.520n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of AChE in Wistar rat brain homogenates using acetylthiocholine iodide and DTNB as substrate after 10 mins by Ellman method


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM9409
PNG
(CHEMBL299708 | N-[2-(1-benzylpiperidin-4-yl)ethyl]...)
Show SMILES CN(CCC1CCN(Cc2ccccc2)CC1)C(=O)c1ccc(cc1)S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C29H34N2O3S/c1-30(19-16-24-17-20-31(21-18-24)22-25-8-4-2-5-9-25)29(32)27-12-14-28(15-13-27)35(33,34)23-26-10-6-3-7-11-26/h2-15,24H,16-23H2,1H3
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n/an/a 0.560n/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against acetylcholinesterase (AChE) obtained from mouse brain homogenate.


J Med Chem 35: 4542-8 (1993)

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


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM9409
PNG
(CHEMBL299708 | N-[2-(1-benzylpiperidin-4-yl)ethyl]...)
Show SMILES CN(CCC1CCN(Cc2ccccc2)CC1)C(=O)c1ccc(cc1)S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C29H34N2O3S/c1-30(19-16-24-17-20-31(21-18-24)22-25-8-4-2-5-9-25)29(32)27-12-14-28(15-13-27)35(33,34)23-26-10-6-3-7-11-26/h2-15,24H,16-23H2,1H3
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n/an/a 0.600n/an/an/an/an/an/a



Eisai Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against acetylcholinesterase


J Med Chem 38: 4821-9 (1996)

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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n/an/a 0.600n/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 ...


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)


(Rattus norvegicus (rat))
BDBM9053
PNG
(6-chloro-N-{6-[(6-chloro-1,2,3,4-tetrahydroacridin...)
Show SMILES Clc1ccc2c(NCCCCCCNc3c4CCCCc4nc4cc(Cl)ccc34)c3CCCCc3nc2c1
Show InChI InChI=1S/C32H36Cl2N4/c33-21-13-15-25-29(19-21)37-27-11-5-3-9-23(27)31(25)35-17-7-1-2-8-18-36-32-24-10-4-6-12-28(24)38-30-20-22(34)14-16-26(30)32/h13-16,19-20H,1-12,17-18H2,(H,35,37)(H,36,38)
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n/an/a 0.600n/an/an/an/a7.437



National Defense Medical Center



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at...


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)


(Rattus norvegicus (rat))
BDBM9051
PNG
(6-fluoro-N-{7-[(6-fluoro-1,2,3,4-tetrahydroacridin...)
Show SMILES Fc1ccc2c(NCCCCCCCNc3c4CCCCc4nc4cc(F)ccc34)c3CCCCc3nc2c1
Show InChI InChI=1S/C33H38F2N4/c34-22-14-16-26-30(20-22)38-28-12-6-4-10-24(28)32(26)36-18-8-2-1-3-9-19-37-33-25-11-5-7-13-29(25)39-31-21-23(35)15-17-27(31)33/h14-17,20-21H,1-13,18-19H2,(H,36,38)(H,37,39)
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n/an/a 0.600n/an/an/an/a7.437



National Defense Medical Center



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at...


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM9411
PNG
(CHEMBL54058 | N-[2-(1-benzylpiperidin-4-yl)ethyl]-...)
Show SMILES O=C(N(CCC1CCN(Cc2ccccc2)CC1)c1ccccc1)c1ccc(cc1)S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C34H36N2O3S/c37-34(31-16-18-33(19-17-31)40(38,39)27-30-12-6-2-7-13-30)36(32-14-8-3-9-15-32)25-22-28-20-23-35(24-21-28)26-29-10-4-1-5-11-29/h1-19,28H,20-27H2
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n/an/a 0.600n/an/an/an/a7.425



Tsukuba Research Laboratories



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The amount of a yellow substance formed after incubation was d...


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM9409
PNG
(CHEMBL299708 | N-[2-(1-benzylpiperidin-4-yl)ethyl]...)
Show SMILES CN(CCC1CCN(Cc2ccccc2)CC1)C(=O)c1ccc(cc1)S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C29H34N2O3S/c1-30(19-16-24-17-20-31(21-18-24)22-25-8-4-2-5-9-25)29(32)27-12-14-28(15-13-27)35(33,34)23-26-10-6-3-7-11-26/h2-15,24H,16-23H2,1H3
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n/an/a 0.600n/an/an/an/a7.425



Tsukuba Research Laboratories



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The amount of a yellow substance formed after incubation was d...


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM9411
PNG
(CHEMBL54058 | N-[2-(1-benzylpiperidin-4-yl)ethyl]-...)
Show SMILES O=C(N(CCC1CCN(Cc2ccccc2)CC1)c1ccccc1)c1ccc(cc1)S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C34H36N2O3S/c37-34(31-16-18-33(19-17-31)40(38,39)27-30-12-6-2-7-13-30)36(32-14-8-3-9-15-32)25-22-28-20-23-35(24-21-28)26-29-10-4-1-5-11-29/h1-19,28H,20-27H2
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n/an/a 0.600n/an/an/an/an/an/a



University of Missouri-St. Louis

Curated by ChEMBL


Assay Description
Inhibition against Acetylcholinesterase (AChE)


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM9409
PNG
(CHEMBL299708 | N-[2-(1-benzylpiperidin-4-yl)ethyl]...)
Show SMILES CN(CCC1CCN(Cc2ccccc2)CC1)C(=O)c1ccc(cc1)S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C29H34N2O3S/c1-30(19-16-24-17-20-31(21-18-24)22-25-8-4-2-5-9-25)29(32)27-12-14-28(15-13-27)35(33,34)23-26-10-6-3-7-11-26/h2-15,24H,16-23H2,1H3
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n/an/a 0.600n/an/an/an/an/an/a



University of Missouri-St. Louis

Curated by ChEMBL


Assay Description
Inhibition against Acetylcholinesterase (AChE)


Citation and Details
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
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)

More data for this
Ligand-Target Pair
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)


(Rattus norvegicus (rat))
BDBM50004000
PNG
((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...)
Show SMILES CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1
Show InChI InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15+/m1/s1
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n/an/a 0.680n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound was determined in vitro and ex vivo for anti-AChE activity in rat brain


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM50004000
PNG
((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...)
Show SMILES CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1
Show InChI InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15+/m1/s1
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n/an/a 0.680n/an/an/an/an/an/a



Eisai Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against acetylcholinesterase


J Med Chem 38: 4821-9 (1996)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM50004000
PNG
((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...)
Show SMILES CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1
Show InChI InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15+/m1/s1
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n/an/a 0.690n/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against acetylcholinesterase (AChE) obtained from mouse brain homogenate.


J Med Chem 35: 4542-8 (1993)

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 ...


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)


(Rattus norvegicus (rat))
BDBM9052
PNG
(6-fluoro-N-{8-[(6-fluoro-1,2,3,4-tetrahydroacridin...)
Show SMILES Fc1ccc2c(NCCCCCCCCNc3c4CCCCc4nc4cc(F)ccc34)c3CCCCc3nc2c1
Show InChI InChI=1S/C34H40F2N4/c35-23-15-17-27-31(21-23)39-29-13-7-5-11-25(29)33(27)37-19-9-3-1-2-4-10-20-38-34-26-12-6-8-14-30(26)40-32-22-24(36)16-18-28(32)34/h15-18,21-22H,1-14,19-20H2,(H,37,39)(H,38,40)
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n/an/a 0.700n/an/an/an/a7.437



National Defense Medical Center



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at...


Citation and Details
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 ...


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)


(Rattus norvegicus (rat))
BDBM10469
PNG
(Bis-THA inhibitor 1c | Bis-THA inhibitor 8 | CHEMB...)
Show SMILES C(CCCCNc1c2CCCCc2nc2ccccc12)CCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C35H44N4/c1(2-4-14-24-36-34-26-16-6-10-20-30(26)38-31-21-11-7-17-27(31)34)3-5-15-25-37-35-28-18-8-12-22-32(28)39-33-23-13-9-19-29(33)35/h6,8,10,12,16,18,20,22H,1-5,7,9,11,13-15,17,19,21,23-25H2,(H,36,38)(H,37,39)
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n/an/a 0.770n/an/an/an/a7.437



Mayo Foundation for Medical Education and Research



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at...


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)


(Rattus norvegicus (rat))
BDBM50273221
PNG
(2-(4-(3-(Diethylamino)propanoyl)phenoxy)-5,6-dimet...)
Show SMILES CCN(CC)CCC(=O)c1ccc(OC2Cc3cc(OC)c(OC)cc3C2=O)cc1
Show InChI InChI=1S/C24H29NO5/c1-5-25(6-2)12-11-20(26)16-7-9-18(10-8-16)30-23-14-17-13-21(28-3)22(29-4)15-19(17)24(23)27/h7-10,13,15,23H,5-6,11-12,14H2,1-4H3
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n/an/a 0.780n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of AchE in rat cortex by Ellman's method


Citation and Details
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


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
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