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Compile Data Set for Download or QSAR

Found 1713 hits of ic50 for UniProtKB: P37136   
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


(Rattus norvegicus (rat))		BDBM50235322
PNG
(CHEMBL4066593)
Show SMILES Clc1ccc2c(NCCCCCCCCNc3c4CCCCc4nc4ccccc34)c3CCCCc3nc2c1
Show InChI InChI=1S/C34H41ClN4/c35-24-19-20-28-32(23-24)39-31-18-10-7-15-27(31)34(28)37-22-12-4-2-1-3-11-21-36-33-25-13-5-8-16-29(25)38-30-17-9-6-14-26(30)33/h5,8,13,16,19-20,23H,1-4,6-7,9-12,14-15,17-18,21-22H2,(H,36,38)(H,37,39)
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n/an/a 0.0700n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of rat cortex AchE using acetylthiocholine iodide 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


(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...

J Med Chem 45: 2277-82 (2002)


Article DOI: 10.1021/jm010308g
BindingDB Entry DOI: 10.7270/Q2KW5D89
More data for this
Ligand-Target Pair
Acetylcholinesterase


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

J Med Chem 45: 2277-82 (2002)


Article DOI: 10.1021/jm010308g
BindingDB Entry DOI: 10.7270/Q2KW5D89
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50235323
PNG
(CHEMBL4080023)
Show SMILES C(CCCCNc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2CCCCc12
Show InChI InChI=1S/C34H46N4/c1(3-13-23-35-33-25-15-5-9-19-29(25)37-30-20-10-6-16-26(30)33)2-4-14-24-36-34-27-17-7-11-21-31(27)38-32-22-12-8-18-28(32)34/h5,9,15,19H,1-4,6-8,10-14,16-18,20-24H2,(H,35,37)(H,36,38)
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Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of rat cortex AchE using acetylthiocholine iodide 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


(Rattus norvegicus (rat))		BDBM50235324
PNG
(CHEMBL4104258)
Show SMILES Clc1ccc2c(NCCCCCCCCCNc3c4CCCCc4nc4CCCCc34)c3CCCCc3nc2c1
Show InChI InChI=1S/C35H47ClN4/c36-25-20-21-29-33(24-25)40-32-19-11-8-16-28(32)35(29)38-23-13-5-3-1-2-4-12-22-37-34-26-14-6-9-17-30(26)39-31-18-10-7-15-27(31)34/h20-21,24H,1-19,22-23H2,(H,37,39)(H,38,40)
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Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of rat cortex AchE using acetylthiocholine iodide 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


(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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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...

J Med Chem 45: 2277-82 (2002)


Article DOI: 10.1021/jm010308g
BindingDB Entry DOI: 10.7270/Q2KW5D89
More data for this
Ligand-Target Pair
Acetylcholinesterase


(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)


BindingDB Entry DOI: 10.7270/Q2JS9PHX
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM8963
PNG
(CHEMBL32823 | Homodimeric Tacrine Analog 3b | N-[7...)
Show SMILES C(CCCNc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C33H40N4/c1(2-12-22-34-32-24-14-4-8-18-28(24)36-29-19-9-5-15-25(29)32)3-13-23-35-33-26-16-6-10-20-30(26)37-31-21-11-7-17-27(31)33/h4,6,8,10,14,16,18,20H,1-3,5,7,9,11-13,15,17,19,21-23H2,(H,34,36)(H,35,37)
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n/an/a 0.400n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128602
BindingDB Entry DOI: 10.7270/Q2HM5DF5
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM9047
PNG
(Bis-THA inhibitor 5 | CHEMBL73800 | Hexylene-Linke...)
Show SMILES C(CCCNc1c2CCCCc2nc2ccccc12)CCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C32H38N4/c1(11-21-33-31-23-13-3-7-17-27(23)35-28-18-8-4-14-24(28)31)2-12-22-34-32-25-15-5-9-19-29(25)36-30-20-10-6-16-26(30)32/h3,5,7,9,13,15,17,19H,1-2,4,6,8,10-12,14,16,18,20-22H2,(H,33,35)(H,34,36)
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TBA

Assay Description
Inhibition of rat brain Acetylcholinesterase using acetylthiocholine as substrate in presence of BChE inhibitor ethopropazine

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00242
BindingDB Entry DOI: 10.7270/Q2KD22HB
More data for this
Ligand-Target Pair
Acetylcholinesterase


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

Curated by ChEMBL


Assay Description
Inhibition of rat brain Acetylcholinesterase using acetylthiocholine as substrate in presence of BChE inhibitor ethopropazine by spectrophotometric m...

Bioorg Med Chem 27: 895-930 (2019)


Article DOI: 10.1016/j.bmc.2019.01.025
BindingDB Entry DOI: 10.7270/Q2N87F3N
More data for this
Ligand-Target Pair
Acetylcholinesterase


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

Curated by ChEMBL


Assay Description
Inhibition of rat cortex AChE using acetylthiocholine iodide as substrate measured after 8 mins in presence of BuChE inhibitor ethopropazine by Ellma...

Eur J Med Chem 132: 294-309 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.062
BindingDB Entry DOI: 10.7270/Q2HX1G33
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50149212
PNG
(CHEMBL117521 | N-(1,2,3,4,8a,10a-Hexahydro-acridin...)
Show SMILES C(CCCNC1=C2CCCCC2=NC2C=CCC=C12)CCCNc1c2CCCCc2nc2ccccc12 |c:5,12,15,t:18|
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

J Med Chem 47: 3463-82 (2004)


Article DOI: 10.1021/jm040031v
BindingDB Entry DOI: 10.7270/Q2NC61ZJ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(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 |r,c:36,TLB:29:18:21.22.24:27,23:22:19.18.28:27,26:25:19:21.29.22,THB:29:22:19.18.28:27,28:18:21:24.25.27,28:25:21:19.18.29,24:22:19:28.25.27,24:25:19:21.29.22,16:18:21:24.25.27,16:18:21.22.24:27|
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

J Med Chem 55: 9708-21 (2012)


Article DOI: 10.1021/jm3009458
BindingDB Entry DOI: 10.7270/Q2VQ33TR
More data for this
Ligand-Target Pair
Acetylcholinesterase


(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...

J Med Chem 45: 2277-82 (2002)


Article DOI: 10.1021/jm010308g
BindingDB Entry DOI: 10.7270/Q2KW5D89
More data for this
Ligand-Target Pair
Acetylcholinesterase


(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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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...

J Med Chem 45: 2277-82 (2002)


Article DOI: 10.1021/jm010308g
BindingDB Entry DOI: 10.7270/Q2KW5D89
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM8964
PNG
(CHEMBL75274 | Homodimeric Tacrine Analog 3c | N-[8...)
Show SMILES C(CCCCNc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C34H42N4/c1(3-13-23-35-33-25-15-5-9-19-29(25)37-30-20-10-6-16-26(30)33)2-4-14-24-36-34-27-17-7-11-21-31(27)38-32-22-12-8-18-28(32)34/h5,7,9,11,15,17,19,21H,1-4,6,8,10,12-14,16,18,20,22-24H2,(H,35,37)(H,36,38)
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n/an/a 0.660n/an/an/an/an/an/a



CSIR-Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of rat brain Acetylcholinesterase using acetylthiocholine as substrate in presence of BChE inhibitor ethopropazine by spectrophotometric m...

Bioorg Med Chem 27: 895-930 (2019)


Article DOI: 10.1016/j.bmc.2019.01.025
BindingDB Entry DOI: 10.7270/Q2N87F3N
More data for this
Ligand-Target Pair
Acetylcholinesterase


(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 |r|
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

Bioorg Med Chem Lett 2: 871-876 (1992)


Article DOI: 10.1016/S0960-894X(00)80547-8
BindingDB Entry DOI: 10.7270/Q21R6QDV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(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...

J Med Chem 45: 2277-82 (2002)


Article DOI: 10.1021/jm010308g
BindingDB Entry DOI: 10.7270/Q2KW5D89
More data for this
Ligand-Target Pair
Acetylcholinesterase


(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...

J Biol Chem 271: 23646-9 (1996)


Article DOI: 10.1074/jbc.271.39.23646
BindingDB Entry DOI: 10.7270/Q2XW4H0P
More data for this
Ligand-Target Pair
Acetylcholinesterase


(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/an/an/a



CSIR-Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of rat brain Acetylcholinesterase using acetylthiocholine as substrate in presence of BChE inhibitor ethopropazine by spectrophotometric m...

Bioorg Med Chem 27: 895-930 (2019)


Article DOI: 10.1016/j.bmc.2019.01.025
BindingDB Entry DOI: 10.7270/Q2N87F3N
More data for this
Ligand-Target Pair
Acetylcholinesterase


(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

Bioorg Med Chem 16: 7646-53 (2008)


Article DOI: 10.1016/j.bmc.2008.07.014
BindingDB Entry DOI: 10.7270/Q2RR1Z2W
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50568800
PNG
(CHEMBL4859647)
Show SMILES COc1cc2CC(CC3(F)CCN(Cc4ccccc4F)CC3)C(=O)c2cc1OC
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n/an/a 0.860n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rat cortex homogenate acetylcholinesterase using acetylthiocholine iodide as substrate incubated for 20 mins by Ellman's method

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01863
BindingDB Entry DOI: 10.7270/Q2JW8JNQ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM9050
PNG
(6-fluoro-N-{6-[(6-fluoro-1,2,3,4-tetrahydroacridin...)
Show SMILES Fc1ccc2c(NCCCCCCNc3c4CCCCc4nc4cc(F)ccc34)c3CCCCc3nc2c1
Show InChI InChI=1S/C32H36F2N4/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 0.900n/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...

J Med Chem 45: 2277-82 (2002)


Article DOI: 10.1021/jm010308g
BindingDB Entry DOI: 10.7270/Q2KW5D89
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50582079
PNG
(CHEMBL5091959)
Show SMILES Clc1ccc2c(NCCCNC3CCc4[nH]c(=O)ccc4C3)c3CCCCc3nc2c1
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n/an/a 0.900n/an/an/an/an/an/a


TBA

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

Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113827
BindingDB Entry DOI: 10.7270/Q2222ZP7
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50568792
PNG
(CHEMBL4846450)
Show SMILES COc1cc2CC(CC3(F)CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC
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n/an/a 0.960n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rat cortex homogenate acetylcholinesterase using acetylthiocholine iodide as substrate incubated for 20 mins by Ellman's method

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01863
BindingDB Entry DOI: 10.7270/Q2JW8JNQ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(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 |r|
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 1n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of rat brain AChE by Ellman's method

Bioorg Med Chem Lett 20: 1532-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.097
BindingDB Entry DOI: 10.7270/Q29K4BCV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50398924
PNG
(CHEMBL2178788)
Show SMILES COc1ccc2CN(CCCCCCN(C)C34CC5CC(C)(CC(C)(C5)C3)C4)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:34,TLB:25:23:27:18.17.19,25:18:27:23.26.22,THB:24:23:27:18.17.19,17:16:22:18.25.19,17:18:16.26.27:22,14:16:22:18.25.19|
Show InChI InChI=1S/C35H52N2O3/c1-32-18-25-19-33(2,22-32)24-34(20-25,23-32)36(3)14-7-5-6-8-15-37-16-13-35-12-11-27(38)17-29(35)40-31-28(39-4)10-9-26(21-37)30(31)35/h9-12,25,27,29,38H,5-8,13-24H2,1-4H3/t25?,27-,29-,32?,33?,34?,35-/m0/s1
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n/an/a 1.03n/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

J Med Chem 55: 9708-21 (2012)


Article DOI: 10.1021/jm3009458
BindingDB Entry DOI: 10.7270/Q2VQ33TR
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50398928
PNG
(CHEMBL2178784)
Show SMILES COc1ccc2CN(CCCCCCNC34CC5CC(C)(CC(C)(C5)C3)C4)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:33,TLB:24:22:26:17.16.18,24:17:26:22.25.21,THB:23:22:26:17.16.18,14:15:21:17.24.18,16:15:21:17.24.18,16:17:15.25.26:21|
Show InChI InChI=1S/C34H50N2O3/c1-31-17-24-18-32(2,21-31)23-33(19-24,22-31)35-13-6-4-5-7-14-36-15-12-34-11-10-26(37)16-28(34)39-30-27(38-3)9-8-25(20-36)29(30)34/h8-11,24,26,28,35,37H,4-7,12-23H2,1-3H3/t24?,26-,28-,31?,32?,33?,34-/m0/s1
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n/an/a 1.16n/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

J Med Chem 55: 9708-21 (2012)


Article DOI: 10.1021/jm3009458
BindingDB Entry DOI: 10.7270/Q2VQ33TR
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM9057
PNG
(Homodimeric Tacrine Analog 3k | N,N-Bis-(1,2,3,4-t...)
Show SMILES C(CCCNc1c2CCCCc2nc2ncccc12)CCCNc1c2CCCCc2nc2ncccc12
Show InChI InChI=1S/C31H38N6/c1(2-8-18-32-28-22-12-4-6-16-26(22)36-30-24(28)14-10-20-34-30)3-9-19-33-29-23-13-5-7-17-27(23)37-31-25(29)15-11-21-35-31/h10-11,14-15,20-21H,1-9,12-13,16-19H2,(H,32,34,36)(H,33,35,37)
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n/an/a 1.30n/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...

J Med Chem 45: 2277-82 (2002)


Article DOI: 10.1021/jm010308g
BindingDB Entry DOI: 10.7270/Q2KW5D89
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50398923
PNG
(CHEMBL2178789)
Show SMILES COc1ccc2CN(CCCCCCCN(C)C34CC5CC(C)(CC(C)(C5)C3)C4)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:35,TLB:22:21:18.17.27:26,28:17:23.21.20:26,THB:27:17:20:23.24.26,27:24:28.18.17:20,23:21:18:27.24.26,23:24:18:28.21.20,22:21:18:27.24.26,28:21:18.17.27:26|
Show InChI InChI=1S/C36H54N2O3/c1-33-19-26-20-34(2,23-33)25-35(21-26,24-33)37(3)15-8-6-5-7-9-16-38-17-14-36-13-12-28(39)18-30(36)41-32-29(40-4)11-10-27(22-38)31(32)36/h10-13,26,28,30,39H,5-9,14-25H2,1-4H3/t26?,28-,30-,33?,34?,35?,36-/m0/s1
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n/an/a 1.33n/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

J Med Chem 55: 9708-21 (2012)


Article DOI: 10.1021/jm3009458
BindingDB Entry DOI: 10.7270/Q2VQ33TR
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM9047
PNG
(Bis-THA inhibitor 5 | CHEMBL73800 | Hexylene-Linke...)
Show SMILES C(CCCNc1c2CCCCc2nc2ccccc12)CCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C32H38N4/c1(11-21-33-31-23-13-3-7-17-27(23)35-28-18-8-4-14-24(28)31)2-12-22-34-32-25-15-5-9-19-29(25)36-30-20-10-6-16-26(30)32/h3,5,7,9,13,15,17,19H,1-2,4,6,8,10-12,14,16,18,20-22H2,(H,33,35)(H,34,36)
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n/an/a 1.40n/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...

J Med Chem 45: 2277-82 (2002)


Article DOI: 10.1021/jm010308g
BindingDB Entry DOI: 10.7270/Q2KW5D89
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM8963
PNG
(CHEMBL32823 | Homodimeric Tacrine Analog 3b | N-[7...)
Show SMILES C(CCCNc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C33H40N4/c1(2-12-22-34-32-24-14-4-8-18-28(24)36-29-19-9-5-15-25(29)32)3-13-23-35-33-26-16-6-10-20-30(26)37-31-21-11-7-17-27(31)33/h4,6,8,10,14,16,18,20H,1-3,5,7,9,11-13,15,17,19,21-23H2,(H,34,36)(H,35,37)
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n/an/a 1.5n/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Inhibition of rat brain AChE

J Med Chem 49: 5491-500 (2006)


Article DOI: 10.1021/jm060164b
BindingDB Entry DOI: 10.7270/Q2154GPX
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM8963
PNG
(CHEMBL32823 | Homodimeric Tacrine Analog 3b | N-[7...)
Show SMILES C(CCCNc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C33H40N4/c1(2-12-22-34-32-24-14-4-8-18-28(24)36-29-19-9-5-15-25(29)32)3-13-23-35-33-26-16-6-10-20-30(26)37-31-21-11-7-17-27(31)33/h4,6,8,10,14,16,18,20H,1-3,5,7,9,11-13,15,17,19,21-23H2,(H,34,36)(H,35,37)
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n/an/a 1.5n/an/an/an/an/an/a



Hong Kong University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibitory potency against acetylcholinesterase (AChE) of rat cortex homogenate with ethopropazine as BChE inhibitor

Bioorg Med Chem Lett 9: 2335-8 (1999)


BindingDB Entry DOI: 10.7270/Q2PK0GPF
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM8963
PNG
(CHEMBL32823 | Homodimeric Tacrine Analog 3b | N-[7...)
Show SMILES C(CCCNc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C33H40N4/c1(2-12-22-34-32-24-14-4-8-18-28(24)36-29-19-9-5-15-25(29)32)3-13-23-35-33-26-16-6-10-20-30(26)37-31-21-11-7-17-27(31)33/h4,6,8,10,14,16,18,20H,1-3,5,7,9,11-13,15,17,19,21-23H2,(H,34,36)(H,35,37)
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n/an/a 1.5n/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Inhibition of rat AChE

J Med Chem 51: 3154-70 (2008)


Article DOI: 10.1021/jm701253t
BindingDB Entry DOI: 10.7270/Q22Z16D4
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50040619
PNG
(1-[2-(1-Benzyl-piperidin-4-yl)-ethyl]-3-(3-nitro-b...)
Show SMILES [O-][N+](=O)c1cccc(c1)C(=O)[NH+]=C([S-])NCCC1CCN(Cc2ccccc2)CC1 |w:11.11|
Show InChI InChI=1S/C22H26N4O3S/c27-21(19-7-4-8-20(15-19)26(28)29)24-22(30)23-12-9-17-10-13-25(14-11-17)16-18-5-2-1-3-6-18/h1-8,15,17H,9-14,16H2,(H2,23,24,27,30)
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n/an/a 1.5n/an/an/an/an/an/a



Centre de Recherche Pierre Fabre Médicament

Curated by ChEMBL


Assay Description
Inhibition against acetylcholinesterase (AChE)

J Med Chem 37: 689-95 (1994)


BindingDB Entry DOI: 10.7270/Q2N29W0C
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM9426
PNG
(CHEMBL258928 | Heterodimeric Tacrine-Based Inhibit...)
Show SMILES NCCCCCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C21H31N3/c22-15-9-3-1-2-4-10-16-23-21-17-11-5-7-13-19(17)24-20-14-8-6-12-18(20)21/h5,7,11,13H,1-4,6,8-10,12,14-16,22H2,(H,23,24)
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n/an/a 1.5n/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Inhibition of rat AChE

J Med Chem 51: 3154-70 (2008)


Article DOI: 10.1021/jm701253t
BindingDB Entry DOI: 10.7270/Q22Z16D4
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM8963
PNG
(CHEMBL32823 | Homodimeric Tacrine Analog 3b | N-[7...)
Show SMILES C(CCCNc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C33H40N4/c1(2-12-22-34-32-24-14-4-8-18-28(24)36-29-19-9-5-15-25(29)32)3-13-23-35-33-26-16-6-10-20-30(26)37-31-21-11-7-17-27(31)33/h4,6,8,10,14,16,18,20H,1-3,5,7,9,11-13,15,17,19,21-23H2,(H,34,36)(H,35,37)
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n/an/a 1.5n/an/an/an/an/an/a



Hong Kong University of Science and Technology



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

J Med Chem 42: 4225-31 (1999)


Article DOI: 10.1021/jm990224w
BindingDB Entry DOI: 10.7270/Q2W957CH
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM8964
PNG
(CHEMBL75274 | Homodimeric Tacrine Analog 3c | N-[8...)
Show SMILES C(CCCCNc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C34H42N4/c1(3-13-23-35-33-25-15-5-9-19-29(25)37-30-20-10-6-16-26(30)33)2-4-14-24-36-34-27-17-7-11-21-31(27)38-32-22-12-8-18-28(32)34/h5,7,9,11,15,17,19,21H,1-4,6,8,10,12-14,16,18,20,22-24H2,(H,35,37)(H,36,38)
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n/an/a 1.60n/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...

J Med Chem 45: 2277-82 (2002)


Article DOI: 10.1021/jm010308g
BindingDB Entry DOI: 10.7270/Q2KW5D89
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50231951
PNG
(2,5-bis(6-((2-methoxybenzyl)(ethyl)amino)hexylamin...)
Show SMILES CCN(CCCCCCNc1cc(O)c(cc1O)N=CCCCCCN(CC)Cc1ccccc1OC)Cc1ccccc1OC |w:18.18|
Show InChI InChI=1S/C38H56N4O4/c1-5-41(29-31-19-11-13-21-37(31)45-3)25-17-9-7-15-23-39-33-27-36(44)34(28-35(33)43)40-24-16-8-10-18-26-42(6-2)30-32-20-12-14-22-38(32)46-4/h11-14,19-23,27-28,40,43-44H,5-10,15-18,24-26,29-30H2,1-4H3
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n/an/a 1.60n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of rat AChE

Bioorg Med Chem 26: 6115-6127 (2018)


Article DOI: 10.1016/j.bmc.2018.11.015
BindingDB Entry DOI: 10.7270/Q2WD4400
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM9061
PNG
(Homodimeric Tacrine Analog 4c | N,N-Bis-(2,3,4,5-t...)
Show SMILES C(CCCCNc1c2CCCCCc2nc2ccccc12)CCCNc1c2CCCCCc2nc2ccccc12
Show InChI InChI=1S/C36H46N4/c1(3-15-25-37-35-27-17-7-5-9-21-31(27)39-33-23-13-11-19-29(33)35)2-4-16-26-38-36-28-18-8-6-10-22-32(28)40-34-24-14-12-20-30(34)36/h11-14,19-20,23-24H,1-10,15-18,21-22,25-26H2,(H,37,39)(H,38,40)
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n/an/a 1.60n/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...

J Med Chem 45: 2277-82 (2002)


Article DOI: 10.1021/jm010308g
BindingDB Entry DOI: 10.7270/Q2KW5D89
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM8960
PNG
((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3
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n/an/a 1.70n/an/an/an/an/an/a



Centre de Recherche Pierre Fabre

Curated by ChEMBL


Assay Description
In vitro inhibitory effect on rat Acetylcholinesterase

J Med Chem 38: 2969-73 (1995)


BindingDB Entry DOI: 10.7270/Q22B8X2S
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50398927
PNG
(CHEMBL2178785)
Show SMILES COc1ccc2CN(CCCCCCCNC34CC5CC(C)(CC(C)(C5)C3)C4)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:34,TLB:15:16:22:18.25.19,25:23:27:18.17.19,25:18:27:23.26.22,THB:24:23:27:18.17.19,17:16:22:18.25.19,17:18:16.26.27:22|
Show InChI InChI=1S/C35H52N2O3/c1-32-18-25-19-33(2,22-32)24-34(20-25,23-32)36-14-7-5-4-6-8-15-37-16-13-35-12-11-27(38)17-29(35)40-31-28(39-3)10-9-26(21-37)30(31)35/h9-12,25,27,29,36,38H,4-8,13-24H2,1-3H3/t25?,27-,29-,32?,33?,34?,35-/m0/s1
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n/an/a 1.79n/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

J Med Chem 55: 9708-21 (2012)


Article DOI: 10.1021/jm3009458
BindingDB Entry DOI: 10.7270/Q2VQ33TR
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50273222
PNG
(2-(4-(3-(Ethyl(methyl)amino)propanoyl)phenoxy)-5,6...)
Show SMILES CCN(C)CCC(=O)c1ccc(OC2Cc3cc(OC)c(OC)cc3C2=O)cc1
Show InChI InChI=1S/C23H27NO5/c1-5-24(2)11-10-19(25)15-6-8-17(9-7-15)29-22-13-16-12-20(27-3)21(28-4)14-18(16)23(22)26/h6-9,12,14,22H,5,10-11,13H2,1-4H3
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n/an/a 1.85n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


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

Bioorg Med Chem 16: 7646-53 (2008)


Article DOI: 10.1016/j.bmc.2008.07.014
BindingDB Entry DOI: 10.7270/Q2RR1Z2W
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM9058
PNG
(Homodimeric Tacrine Analog 3m | N,N-Bis-(1,2,3,4-t...)
Show SMILES C(CCCCNc1c2CCCCc2nc2ncccc12)CCCNc1c2CCCCc2nc2ncccc12
Show InChI InChI=1S/C32H40N6/c1(3-9-19-33-29-23-13-5-7-17-27(23)37-31-25(29)15-11-21-35-31)2-4-10-20-34-30-24-14-6-8-18-28(24)38-32-26(30)16-12-22-36-32/h11-12,15-16,21-22H,1-10,13-14,17-20H2,(H,33,35,37)(H,34,36,38)
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n/an/a 1.90n/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...

J Med Chem 45: 2277-82 (2002)


Article DOI: 10.1021/jm010308g
BindingDB Entry DOI: 10.7270/Q2KW5D89
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50040622
PNG
(1-[2-(1-Benzyl-piperidin-4-yl)-ethyl]-3-(9,10-diox...)
Show SMILES O=C(NC(=S)NCCC1CCN(Cc2ccccc2)CC1)c1ccc2C(=O)c3ccccc3C(=O)c2c1
Show InChI InChI=1S/C30H29N3O3S/c34-27-23-8-4-5-9-24(23)28(35)26-18-22(10-11-25(26)27)29(36)32-30(37)31-15-12-20-13-16-33(17-14-20)19-21-6-2-1-3-7-21/h1-11,18,20H,12-17,19H2,(H2,31,32,36,37)
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n/an/a 2n/an/an/an/an/an/a



Centre de Recherche Pierre Fabre Médicament

Curated by ChEMBL


Assay Description
Inhibitory activity against acetylcholine esterase (AChE)

J Med Chem 37: 689-95 (1994)


BindingDB Entry DOI: 10.7270/Q2N29W0C
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50568808
PNG
(CHEMBL4857100)
Show SMILES COc1cc2CC(CC3(F)CCN(Cc4cc(F)c(F)cc4F)CC3)C(=O)c2cc1OC
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n/an/a 2n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rat cortex homogenate acetylcholinesterase using acetylthiocholine iodide as substrate incubated for 20 mins by Ellman's method

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01863
BindingDB Entry DOI: 10.7270/Q2JW8JNQ
More data for this
Ligand-Target Pair
Acetylcholinesterase


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


TBA

Assay Description
Inhibition of rat cortex homogenate acetylcholinesterase using acetylthiocholine iodide as substrate incubated for 20 mins by Ellman's method

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01863
BindingDB Entry DOI: 10.7270/Q2JW8JNQ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50284042
PNG
(2-(1-{2-[(5-Piperidin-1-ylmethyl-furan-2-ylmethyl)...)
Show SMILES [#6]-c1ccc(cc1)-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-[#7]-[#6]-c2ccc(-[#6]-[#7]-3-[#6]-[#6]-[#6]-[#6]-[#6]-3)o2)\[#6]-1=[#6](/C#N)C#N
Show InChI InChI=1S/C26H32N6O/c1-21-5-7-23(8-6-21)32-16-15-31(26(32)22(17-27)18-28)14-11-29-19-24-9-10-25(33-24)20-30-12-3-2-4-13-30/h5-10,29H,2-4,11-16,19-20H2,1H3
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n/an/a 2.20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against acetylcholinesterase(AChE) from rat brain was determined

Bioorg Med Chem Lett 4: 615-618 (1994)


Article DOI: 10.1016/S0960-894X(01)80165-7
BindingDB Entry DOI: 10.7270/Q2FN1659
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50398925
PNG
(CHEMBL2178787)
Show SMILES COc1ccc2CN(CCCCCCCCCNC34CC5CC(C)(CC(C)(C5)C3)C4)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:36,TLB:27:25:29:20.19.21,27:20:29:25.28.24,17:18:24:20.27.21,THB:19:18:24:20.27.21,19:20:18.28.29:24,26:25:29:20.19.21|
Show InChI InChI=1S/C37H56N2O3/c1-34-20-27-21-35(2,24-34)26-36(22-27,25-34)38-16-9-7-5-4-6-8-10-17-39-18-15-37-14-13-29(40)19-31(37)42-33-30(41-3)12-11-28(23-39)32(33)37/h11-14,27,29,31,38,40H,4-10,15-26H2,1-3H3/t27?,29-,31-,34?,35?,36?,37-/m0/s1
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n/an/a 2.32n/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

J Med Chem 55: 9708-21 (2012)


Article DOI: 10.1021/jm3009458
BindingDB Entry DOI: 10.7270/Q2VQ33TR
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM9059
PNG
(Homodimeric Tacrine Analog 4a | N,N-Bis-(2,3,4,5-t...)
Show SMILES C(CCCNc1c2CCCCCc2nc2ccccc12)CCNc1c2CCCCCc2nc2ccccc12
Show InChI InChI=1S/C34H42N4/c1(13-23-35-33-25-15-5-3-7-19-29(25)37-31-21-11-9-17-27(31)33)2-14-24-36-34-26-16-6-4-8-20-30(26)38-32-22-12-10-18-28(32)34/h9-12,17-18,21-22H,1-8,13-16,19-20,23-24H2,(H,35,37)(H,36,38)
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n/an/a 2.5n/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...

J Med Chem 45: 2277-82 (2002)


Article DOI: 10.1021/jm010308g
BindingDB Entry DOI: 10.7270/Q2KW5D89
More data for this
Ligand-Target Pair
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