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Compile Data Set for Download or QSAR

Found 2078 hits Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)


(Rattus norvegicus (rat))
BDBM50490821
PNG
(2-Fluoroethyl 4-Nitrophenyl Ethylphosphonate | CHE...)
Show SMILES CCP(=O)(OCCF)Oc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C10H13FNO5P/c1-2-18(15,16-8-7-11)17-10-5-3-9(4-6-10)12(13)14/h3-6H,2,7-8H2,1H3
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1.20n/an/an/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Inhibition of rat brain AChE by concentration-dependent inhibition assay


Bioorg Med Chem Lett 23: 2048-51 (2013)


BindingDB Entry DOI: 10.7270/Q2VH5RSV
More data for this
Ligand-Target Pair
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)


(Rattus norvegicus (rat))
BDBM50240416
PNG
(CHEMBL23838 | O,O-diethyl O-p-nitrophenyl phosphat...)
Show SMILES CCOP(=O)(OCC)Oc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C10H14NO6P/c1-3-15-18(14,16-4-2)17-10-7-5-9(6-8-10)11(12)13/h5-8H,3-4H2,1-2H3
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1.60n/an/an/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Inhibition of rat brain AChE by concentration-dependent inhibition assay


Bioorg Med Chem Lett 23: 2048-51 (2013)


BindingDB Entry DOI: 10.7270/Q2VH5RSV
More data for this
Ligand-Target Pair
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)


(Rattus norvegicus (rat))
BDBM50240416
PNG
(CHEMBL23838 | O,O-diethyl O-p-nitrophenyl phosphat...)
Show SMILES CCOP(=O)(OCC)Oc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C10H14NO6P/c1-3-15-18(14,16-4-2)17-10-7-5-9(6-8-10)11(12)13/h5-8H,3-4H2,1-2H3
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3.40n/an/an/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Inhibition of rat brain AChE by time-dependent inhibition assay


Bioorg Med Chem Lett 23: 2048-51 (2013)


BindingDB Entry DOI: 10.7270/Q2VH5RSV
More data for this
Ligand-Target Pair
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)


(Rattus norvegicus (rat))
BDBM50490821
PNG
(2-Fluoroethyl 4-Nitrophenyl Ethylphosphonate | CHE...)
Show SMILES CCP(=O)(OCCF)Oc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C10H13FNO5P/c1-2-18(15,16-8-7-11)17-10-5-3-9(4-6-10)12(13)14/h3-6H,2,7-8H2,1H3
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3.80n/an/an/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Inhibition of rat brain AChE by time-dependent inhibition assay


Bioorg Med Chem Lett 23: 2048-51 (2013)


BindingDB Entry DOI: 10.7270/Q2VH5RSV
More data for this
Ligand-Target Pair
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)


(Rattus norvegicus (rat))
BDBM50490822
PNG
(2-Fluoroethyl 4-Nitrophenyl Methylphosphonate | CH...)
Show SMILES CP(=O)(OCCF)Oc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C9H11FNO5P/c1-17(14,15-7-6-10)16-9-4-2-8(3-5-9)11(12)13/h2-5H,6-7H2,1H3
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6.10n/an/an/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Inhibition of rat brain AChE by concentration-dependent inhibition assay


Bioorg Med Chem Lett 23: 2048-51 (2013)


BindingDB Entry DOI: 10.7270/Q2VH5RSV
More data for this
Ligand-Target Pair
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)


(Rattus norvegicus (rat))
BDBM50490822
PNG
(2-Fluoroethyl 4-Nitrophenyl Methylphosphonate | CH...)
Show SMILES CP(=O)(OCCF)Oc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C9H11FNO5P/c1-17(14,15-7-6-10)16-9-4-2-8(3-5-9)11(12)13/h2-5H,6-7H2,1H3
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6.20n/an/an/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Inhibition of rat brain AChE by time-dependent inhibition assay


Bioorg Med Chem Lett 23: 2048-51 (2013)


BindingDB Entry DOI: 10.7270/Q2VH5RSV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM10440
PNG
((5S)-5-[(12-{[(5S)-2-oxo-1,2,5,6,7,8-hexahydroquin...)
Show SMILES O=c1ccc2[C@H](CCCc2[nH]1)NCCCCCCCCCCCCN[C@H]1CCCc2[nH]c(=O)ccc12
Show InChI InChI=1S/C30H46N4O2/c35-29-19-17-23-25(13-11-15-27(23)33-29)31-21-9-7-5-3-1-2-4-6-8-10-22-32-26-14-12-16-28-24(26)18-20-30(36)34-28/h17-20,25-26,31-32H,1-16,21-22H2,(H,33,35)(H,34,36)/t25-,26-/m0/s1
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19.6 -43.6 52n/an/an/an/a7.022



Weizmann Institute of Science



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


J Am Chem Soc 125: 363-73 (2003)


Article DOI: 10.1021/ja021111w
BindingDB Entry DOI: 10.7270/Q26D5R69
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM10440
PNG
((5S)-5-[(12-{[(5S)-2-oxo-1,2,5,6,7,8-hexahydroquin...)
Show SMILES O=c1ccc2[C@H](CCCc2[nH]1)NCCCCCCCCCCCCN[C@H]1CCCc2[nH]c(=O)ccc12
Show InChI InChI=1S/C30H46N4O2/c35-29-19-17-23-25(13-11-15-27(23)33-29)31-21-9-7-5-3-1-2-4-6-8-10-22-32-26-14-12-16-28-24(26)18-20-30(36)34-28/h17-20,25-26,31-32H,1-16,21-22H2,(H,33,35)(H,34,36)/t25-,26-/m0/s1
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20n/an/an/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))
BDBM50342601
PNG
(CHEMBL1255901 | Huperzine A)
Show SMILES C\C=C1/[C@@H]2Cc3[nH]c(=O)ccc3[C@]1(N)CC(C)=C2
Show InChI InChI=1S/C15H18N2O/c1-3-11-10-6-9(2)8-15(11,16)12-4-5-14(18)17-13(12)7-10/h3-6,10H,7-8,16H2,1-2H3,(H,17,18)/b11-3+/t10-,15-/m0/s1
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24n/an/an/an/an/an/an/an/a



Universit£t Wien

Curated by ChEMBL


Assay Description
Compound was tested for its ability to inhibit acetylcholinesterase (AChE) in rat brain; 0.024-0.040 uM


Bioorg Med Chem Lett 11: 2627-30 (2001)


Article DOI: 10.1016/s0960-894x(01)00518-2
BindingDB Entry DOI: 10.7270/Q2VH5PCN
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM10441
PNG
((+)-Huperzine A | (+/-)Huperzine A | (-)-Huperzine...)
Show SMILES C\C=C1/C2Cc3[nH]c(=O)ccc3C1(N)CC(C)=C2
Show InChI InChI=1S/C15H18N2O/c1-3-11-10-6-9(2)8-15(11,16)12-4-5-14(18)17-13(12)7-10/h3-6,10H,7-8,16H2,1-2H3,(H,17,18)/b11-3+
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47.1 -41.4 114n/an/an/an/a7.022



Weizmann Institute of Science



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


J Am Chem Soc 125: 363-73 (2003)


Article DOI: 10.1021/ja021111w
BindingDB Entry DOI: 10.7270/Q26D5R69
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50429847
PNG
(CHEMBL2338670)
Show SMILES Oc1cccc2C(=O)c3cc(C[n+]4ccccc4)cc(O)c3C(=O)c12
Show InChI InChI=1S/C20H13NO4/c22-15-6-4-5-13-17(15)20(25)18-14(19(13)24)9-12(10-16(18)23)11-21-7-2-1-3-8-21/h1-10H,11H2,(H-,22,23,25)/p+1
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279n/an/an/an/an/an/an/an/a



Hainan University

Curated by ChEMBL


Assay Description
Inhibition of AChE in rat cortex using acetylthiocholine iodide as substrate by double Lineweaver-Burk plot analysis


Bioorg Med Chem 21: 1064-73 (2013)


Article DOI: 10.1016/j.bmc.2013.01.015
BindingDB Entry DOI: 10.7270/Q2GB25C5
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50104605
PNG
(13-Eth-(E)-ylidene-11-methyl-6-aza-tricyclo[7.3.1....)
Show SMILES C\C=C1/C2Cc3[nH]c(=O)ccc3C1CC(C)=C2
Show InChI InChI=1S/C15H17NO/c1-3-11-10-6-9(2)7-13(11)12-4-5-15(17)16-14(12)8-10/h3-6,10,13H,7-8H2,1-2H3,(H,16,17)/b11-3+
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2.00E+3n/an/an/an/an/an/an/an/a



Universit£t Wien

Curated by ChEMBL


Assay Description
Compound was tested for its ability to inhibit acetylcholinesterase (AChE) in rat brain


Bioorg Med Chem Lett 11: 2627-30 (2001)


Article DOI: 10.1016/s0960-894x(01)00518-2
BindingDB Entry DOI: 10.7270/Q2VH5PCN
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50026058
PNG
(CHEMBL3335259)
Show SMILES COc1cc(OC)c(C(=O)\C=C\c2ccccc2)c(O)c1CN1CCCCC1
Show InChI InChI=1S/C23H27NO4/c1-27-20-15-21(28-2)22(19(25)12-11-17-9-5-3-6-10-17)23(26)18(20)16-24-13-7-4-8-14-24/h3,5-6,9-12,15,26H,4,7-8,13-14,16H2,1-2H3/b12-11+
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2.75E+3n/an/an/an/an/an/an/an/a



Hunan University

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat brain AChE by Michaelis-Menten equation


Bioorg Med Chem Lett 24: 4749-53 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.087
BindingDB Entry DOI: 10.7270/Q2PR7XKV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50026058
PNG
(CHEMBL3335259)
Show SMILES COc1cc(OC)c(C(=O)\C=C\c2ccccc2)c(O)c1CN1CCCCC1
Show InChI InChI=1S/C23H27NO4/c1-27-20-15-21(28-2)22(19(25)12-11-17-9-5-3-6-10-17)23(26)18(20)16-24-13-7-4-8-14-24/h3,5-6,9-12,15,26H,4,7-8,13-14,16H2,1-2H3/b12-11+
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4.58E+3n/an/an/an/an/an/an/an/a



Hunan University

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat brain AChE using acetylthiocholin iodide as substrate by Michaelis-Menten equation


Bioorg Med Chem Lett 24: 4749-53 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.087
BindingDB Entry DOI: 10.7270/Q2PR7XKV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50133817
PNG
(4-(3-Chloro-pyridin-2-yl)-piperazine-1-carboxylic ...)
Show SMILES CC(C)(C)c1ccc(NC(=O)N2CCN(CC2)c2ncccc2Cl)cc1
Show InChI InChI=1S/C20H25ClN4O/c1-20(2,3)15-6-8-16(9-7-15)23-19(26)25-13-11-24(12-14-25)18-17(21)5-4-10-22-18/h4-10H,11-14H2,1-3H3,(H,23,26)
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>1.00E+4n/an/an/an/an/an/an/an/a



Pudue Pharma Discovery Research

Curated by PDSP Ki Database




J Pharmacol Exp Ther 306: 377-86 (2003)


Article DOI: 10.1124/jpet.102.045674
BindingDB Entry DOI: 10.7270/Q2TX3CX5
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50104603
PNG
(13-Eth-(Z)-ylidene-11-methyl-6-aza-tricyclo[7.3.1....)
Show SMILES C\C=C1\C2Cc3[nH]c(=O)ccc3C1CC(C)=C2
Show InChI InChI=1S/C15H17NO/c1-3-11-10-6-9(2)7-13(11)12-4-5-15(17)16-14(12)8-10/h3-6,10,13H,7-8H2,1-2H3,(H,16,17)/b11-3-
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1.23E+4n/an/an/an/an/an/an/an/a



Universit£t Wien

Curated by ChEMBL


Assay Description
Compound was tested for its ability to inhibit acetylcholinesterase (AChE) in rat brain


Bioorg Med Chem Lett 11: 2627-30 (2001)


Article DOI: 10.1016/s0960-894x(01)00518-2
BindingDB Entry DOI: 10.7270/Q2VH5PCN
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50028409
PNG
(CHEMBL285508 | Trimethyl-[3-(2-oxo-2lambda*5*-[1,3...)
Show SMILES C[N+](C)(C)c1cccc(OP2(=O)OCCCO2)c1
Show InChI InChI=1S/C12H19NO4P/c1-13(2,3)11-6-4-7-12(10-11)17-18(14)15-8-5-9-16-18/h4,6-7,10H,5,8-9H2,1-3H3/q+1
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3.10E+4n/an/an/an/an/an/a7.0n/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory constant of the compound against rat brain acetylcholinesterase at pH 7.0


J Med Chem 26: 145-52 (1983)


Article DOI: 10.1021/jm00356a006
BindingDB Entry DOI: 10.7270/Q23T9G75
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50104604
PNG
(11-Methyl-6-aza-tricyclo[7.3.1.0*2,7*]trideca-2(7)...)
Show SMILES CC1=CC2Cc3[nH]c(=O)ccc3C(C1)C2=O
Show InChI InChI=1S/C13H13NO2/c1-7-4-8-6-11-9(2-3-12(15)14-11)10(5-7)13(8)16/h2-4,8,10H,5-6H2,1H3,(H,14,15)
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>5.00E+5n/an/an/an/an/an/an/an/a



Universit£t Wien

Curated by ChEMBL


Assay Description
Compound was tested for its ability to inhibit acetylcholinesterase (AChE) in rat brain


Bioorg Med Chem Lett 11: 2627-30 (2001)


Article DOI: 10.1016/s0960-894x(01)00518-2
BindingDB Entry DOI: 10.7270/Q2VH5PCN
More data for this
Ligand-Target Pair
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)


(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 0.0160n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of acetylcholinesterase in Rattus norvegicus (rat) cortex by Ellman method


Citation and Details

BindingDB Entry DOI: 10.7270/Q24F1TN5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)


(Rattus norvegicus (rat))
BDBM50248715
PNG
((E)-2-{4-[(Diethylamino)methyl]benzylidene}-5,6-di...)
Show SMILES CCN(CC)Cc1ccc(\C=C2/Cc3cc(OC)c(OC)cc3C2=O)cc1
Show InChI InChI=1S/C23H27NO3/c1-5-24(6-2)15-17-9-7-16(8-10-17)11-19-12-18-13-21(26-3)22(27-4)14-20(18)23(19)25/h7-11,13-14H,5-6,12,15H2,1-4H3/b19-11+
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n/an/a 0.0350n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of acetylcholinesterase in Rattus norvegicus (rat) cortex by Ellman method


Citation and Details

BindingDB Entry DOI: 10.7270/Q24F1TN5
More data for this
Ligand-Target Pair
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)


(Rattus norvegicus (rat))
BDBM50248747
PNG
((E)-5,6-Dimethoxy-2-{4-[(pyrrolidin-1-yl)methyl]-b...)
Show SMILES COc1cc2C\C(=C/c3ccc(CN4CCCC4)cc3)C(=O)c2cc1OC
Show InChI InChI=1S/C23H25NO3/c1-26-21-13-18-12-19(23(25)20(18)14-22(21)27-2)11-16-5-7-17(8-6-16)15-24-9-3-4-10-24/h5-8,11,13-14H,3-4,9-10,12,15H2,1-2H3/b19-11+
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n/an/a 0.0450n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of acetylcholinesterase in Rattus norvegicus (rat) cortex by Ellman method


Citation and Details

BindingDB Entry DOI: 10.7270/Q24F1TN5
More data for this
Ligand-Target Pair
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)


(Rattus norvegicus (rat))
BDBM50169850
PNG
(5,6-Dimethoxy-2-(4-pyrrolidin-1-ylmethyl-phenoxy)-...)
Show SMILES COc1cc2CC(Oc3ccc(CN4CCCC4)cc3)C(=O)c2cc1OC
Show InChI InChI=1S/C22H25NO4/c1-25-19-11-16-12-21(22(24)18(16)13-20(19)26-2)27-17-7-5-15(6-8-17)14-23-9-3-4-10-23/h5-8,11,13,21H,3-4,9-10,12,14H2,1-2H3
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n/an/a 0.0500n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of acetylcholinesterase in Rattus norvegicus (rat) cortex by Ellman method


Citation and Details

BindingDB Entry DOI: 10.7270/Q24F1TN5
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))
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 and butyrylcholinesterase (AChE and BChE)


(Rattus norvegicus (rat))
BDBM50169857
PNG
(2-(4-Diethylaminomethyl-phenoxy)-5,6-dimethoxy-ind...)
Show SMILES CCN(CC)Cc1ccc(OC2Cc3cc(OC)c(OC)cc3C2=O)cc1
Show InChI InChI=1S/C22H27NO4/c1-5-23(6-2)14-15-7-9-17(10-8-15)27-21-12-16-11-19(25-3)20(26-4)13-18(16)22(21)24/h7-11,13,21H,5-6,12,14H2,1-4H3
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n/an/a 0.100n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of acetylcholinesterase in Rattus norvegicus (rat) cortex by Ellman method


Citation and Details

BindingDB Entry DOI: 10.7270/Q24F1TN5
More data for this
Ligand-Target Pair
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)


(Rattus norvegicus (rat))
BDBM50248781
PNG
((E)-5,6-Dimethoxy-2-{4-[(piperidin-1-yl)methyl]-be...)
Show SMILES COc1cc2C\C(=C/c3ccc(CN4CCCCC4)cc3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H27NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-6-8-18(9-7-17)16-25-10-4-3-5-11-25/h6-9,12,14-15H,3-5,10-11,13,16H2,1-2H3/b20-12+
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n/an/a 0.102n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of acetylcholinesterase in Rattus norvegicus (rat) cortex by Ellman method


Citation and Details

BindingDB Entry DOI: 10.7270/Q24F1TN5
More data for this
Ligand-Target Pair
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)


(Rattus norvegicus (rat))
BDBM50248880
PNG
(5,6-Dimethoxy-2-{4-[(piperidin-1-yl)methyl]-benzyl...)
Show SMILES COc1cc2CC(Cc3ccc(CN4CCCCC4)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)12-17-6-8-18(9-7-17)16-25-10-4-3-5-11-25/h6-9,14-15,20H,3-5,10-13,16H2,1-2H3
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n/an/a 0.124n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of acetylcholinesterase in Rattus norvegicus (rat) cortex by Ellman method


Citation and Details

BindingDB Entry DOI: 10.7270/Q24F1TN5
More data for this
Ligand-Target Pair
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)


(Rattus norvegicus (rat))
BDBM50169865
PNG
(5,6-Dimethoxy-2-[4-(1-piperidin-1-yl-ethyl)-phenox...)
Show SMILES COc1cc2CC(Oc3ccc(cc3)C(C)N3CCCCC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H29NO4/c1-16(25-11-5-4-6-12-25)17-7-9-19(10-8-17)29-23-14-18-13-21(27-2)22(28-3)15-20(18)24(23)26/h7-10,13,15-16,23H,4-6,11-12,14H2,1-3H3
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n/an/a 0.130n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of acetylcholinesterase in Rattus norvegicus (rat) cortex by Ellman method


Citation and Details

BindingDB Entry DOI: 10.7270/Q24F1TN5
More data for this
Ligand-Target Pair
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)


(Rattus norvegicus (rat))
BDBM50169871
PNG
(5,6-Dimethoxy-2-[4-(1-pyrrolidin-1-yl-ethyl)-pheno...)
Show SMILES COc1cc2CC(Oc3ccc(cc3)C(C)N3CCCC3)C(=O)c2cc1OC
Show InChI InChI=1S/C23H27NO4/c1-15(24-10-4-5-11-24)16-6-8-18(9-7-16)28-22-13-17-12-20(26-2)21(27-3)14-19(17)23(22)25/h6-9,12,14-15,22H,4-5,10-11,13H2,1-3H3
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n/an/a 0.140n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of acetylcholinesterase in Rattus norvegicus (rat) cortex by Ellman method


Citation and Details

BindingDB Entry DOI: 10.7270/Q24F1TN5
More data for this
Ligand-Target Pair
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)


(Rattus norvegicus (rat))
BDBM50169863
PNG
(5,6-Dimethoxy-2-(4-piperidin-1-ylmethyl-phenoxy)-i...)
Show SMILES COc1cc2CC(Oc3ccc(CN4CCCCC4)cc3)C(=O)c2cc1OC
Show InChI InChI=1S/C23H27NO4/c1-26-20-12-17-13-22(23(25)19(17)14-21(20)27-2)28-18-8-6-16(7-9-18)15-24-10-4-3-5-11-24/h6-9,12,14,22H,3-5,10-11,13,15H2,1-2H3
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TBA

Assay Description
Inhibition of acetylcholinesterase in Rattus norvegicus (rat) cortex by Ellman method


Citation and Details

BindingDB Entry DOI: 10.7270/Q24F1TN5
More data for this
Ligand-Target Pair
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)


(Rattus norvegicus (rat))
BDBM50169860
PNG
(2-[4-(1-Dimethylamino-ethyl)-phenoxy]-5,6-dimethox...)
Show SMILES COc1cc2CC(Oc3ccc(cc3)C(C)N(C)C)C(=O)c2cc1OC
Show InChI InChI=1S/C21H25NO4/c1-13(22(2)3)14-6-8-16(9-7-14)26-20-11-15-10-18(24-4)19(25-5)12-17(15)21(20)23/h6-10,12-13,20H,11H2,1-5H3
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TBA

Assay Description
Inhibition of acetylcholinesterase in Rattus norvegicus (rat) cortex by Ellman method


Citation and Details

BindingDB Entry DOI: 10.7270/Q24F1TN5
More data for this
Ligand-Target Pair
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)


(Rattus norvegicus (rat))
BDBM50248849
PNG
(5,6-Dimethoxy-2-{4-[(pyrrolidin-1-yl)methyl]-benzy...)
Show SMILES COc1cc2CC(Cc3ccc(CN4CCCC4)cc3)C(=O)c2cc1OC
Show InChI InChI=1S/C23H27NO3/c1-26-21-13-18-12-19(23(25)20(18)14-22(21)27-2)11-16-5-7-17(8-6-16)15-24-9-3-4-10-24/h5-8,13-14,19H,3-4,9-12,15H2,1-2H3
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n/an/a 0.154n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of acetylcholinesterase in Rattus norvegicus (rat) cortex by Ellman method


Citation and Details

BindingDB Entry DOI: 10.7270/Q24F1TN5
More data for this
Ligand-Target Pair
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)


(Rattus norvegicus (rat))
BDBM50248780
PNG
((E)-5,6-Dimethoxy-2-{3-[(piperidin-1-yl)methyl]-be...)
Show SMILES COc1cc2C\C(=C/c3cccc(CN4CCCCC4)c3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H27NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-7-6-8-18(11-17)16-25-9-4-3-5-10-25/h6-8,11-12,14-15H,3-5,9-10,13,16H2,1-2H3/b20-12+
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n/an/a 0.162n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of acetylcholinesterase in Rattus norvegicus (rat) cortex by Ellman method


Citation and Details

BindingDB Entry DOI: 10.7270/Q24F1TN5
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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n/an/a 0.200n/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))
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...


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 and butyrylcholinesterase (AChE and BChE)


(Rattus norvegicus (rat))
BDBM50169870
PNG
(2-(4-Dimethylaminomethyl-phenoxy)-5,6-dimethoxy-in...)
Show SMILES COc1cc2CC(Oc3ccc(CN(C)C)cc3)C(=O)c2cc1OC
Show InChI InChI=1S/C20H23NO4/c1-21(2)12-13-5-7-15(8-6-13)25-19-10-14-9-17(23-3)18(24-4)11-16(14)20(19)22/h5-9,11,19H,10,12H2,1-4H3
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n/an/a 0.210n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of acetylcholinesterase in Rattus norvegicus (rat) cortex by Ellman method


Citation and Details

BindingDB Entry DOI: 10.7270/Q24F1TN5
More data for this
Ligand-Target Pair
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)


(Rattus norvegicus (rat))
BDBM50169859
PNG
(2-[4-(1-Diethylamino-ethyl)-phenoxy]-5,6-dimethoxy...)
Show SMILES CCN(CC)C(C)c1ccc(OC2Cc3cc(OC)c(OC)cc3C2=O)cc1
Show InChI InChI=1S/C23H29NO4/c1-6-24(7-2)15(3)16-8-10-18(11-9-16)28-22-13-17-12-20(26-4)21(27-5)14-19(17)23(22)25/h8-12,14-15,22H,6-7,13H2,1-5H3
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n/an/a 0.220n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of acetylcholinesterase in Rattus norvegicus (rat) cortex by Ellman method


Citation and Details

BindingDB Entry DOI: 10.7270/Q24F1TN5
More data for this
Ligand-Target Pair
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)


(Rattus norvegicus (rat))
BDBM50248746
PNG
((E)-5,6-Dimethoxy-2-{3-[(pyrrolidin-1-yl)methyl]-b...)
Show SMILES COc1cc2C\C(=C/c3cccc(CN4CCCC4)c3)C(=O)c2cc1OC
Show InChI InChI=1S/C23H25NO3/c1-26-21-13-18-12-19(23(25)20(18)14-22(21)27-2)11-16-6-5-7-17(10-16)15-24-8-3-4-9-24/h5-7,10-11,13-14H,3-4,8-9,12,15H2,1-2H3/b19-11+
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n/an/a 0.237n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of acetylcholinesterase in Rattus norvegicus (rat) cortex by Ellman method


Citation and Details

BindingDB Entry DOI: 10.7270/Q24F1TN5
More data for this
Ligand-Target Pair
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)


(Rattus norvegicus (rat))
BDBM50248712
PNG
((E)-2-{4-[(Ethylmethylamino)methyl]benzylidene}-5,...)
Show SMILES CCN(C)Cc1ccc(\C=C2/Cc3cc(OC)c(OC)cc3C2=O)cc1
Show InChI InChI=1S/C22H25NO3/c1-5-23(2)14-16-8-6-15(7-9-16)10-18-11-17-12-20(25-3)21(26-4)13-19(17)22(18)24/h6-10,12-13H,5,11,14H2,1-4H3/b18-10+
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n/an/a 0.266n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of acetylcholinesterase in Rattus norvegicus (rat) cortex by Ellman method


Citation and Details

BindingDB Entry DOI: 10.7270/Q24F1TN5
More data for this
Ligand-Target Pair
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)


(Rattus norvegicus (rat))
BDBM50248819
PNG
(2-{4-[(Diethylamino)methyl]benzyl}-5,6-dimethoxy2,...)
Show SMILES CCN(CC)Cc1ccc(CC2Cc3cc(OC)c(OC)cc3C2=O)cc1
Show InChI InChI=1S/C23H29NO3/c1-5-24(6-2)15-17-9-7-16(8-10-17)11-19-12-18-13-21(26-3)22(27-4)14-20(18)23(19)25/h7-10,13-14,19H,5-6,11-12,15H2,1-4H3
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n/an/a 0.287n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of acetylcholinesterase in Rattus norvegicus (rat) cortex by Ellman method


Citation and Details

BindingDB Entry DOI: 10.7270/Q24F1TN5
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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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...


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))
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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n/an/a 0.300n/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 and butyrylcholinesterase (AChE and BChE)


(Rattus norvegicus (rat))
BDBM50248816
PNG
(2-{4-[(Ethylmethylamino)methyl]benzyl}-5,6-dimetho...)
Show SMILES CCN(C)Cc1ccc(CC2Cc3cc(OC)c(OC)cc3C2=O)cc1
Show InChI InChI=1S/C22H27NO3/c1-5-23(2)14-16-8-6-15(7-9-16)10-18-11-17-12-20(25-3)21(26-4)13-19(17)22(18)24/h6-9,12-13,18H,5,10-11,14H2,1-4H3
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n/an/a 0.380n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of acetylcholinesterase in Rattus norvegicus (rat) cortex by Ellman method


Citation and Details

BindingDB Entry DOI: 10.7270/Q24F1TN5
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)


Article DOI: 10.1021/jm00045a020
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



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
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 and butyrylcholinesterase (AChE and BChE)


(Rattus norvegicus (rat))
BDBM50248637
PNG
((E)-2-{4-[(Dimethylamino)methyl]benzylidene}-5,6-d...)
Show SMILES COc1cc2C\C(=C/c3ccc(CN(C)C)cc3)C(=O)c2cc1OC
Show InChI InChI=1S/C21H23NO3/c1-22(2)13-15-7-5-14(6-8-15)9-17-10-16-11-19(24-3)20(25-4)12-18(16)21(17)23/h5-9,11-12H,10,13H2,1-4H3/b17-9+
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n/an/a 0.415n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of acetylcholinesterase in Rattus norvegicus (rat) cortex by Ellman method


Citation and Details

BindingDB Entry DOI: 10.7270/Q24F1TN5
More data for this
Ligand-Target Pair
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)


(Rattus norvegicus (rat))
BDBM50248714
PNG
((E)-2-{3-[(Diethylamino)methyl]benzylidene}-5,6-di...)
Show SMILES CCN(CC)Cc1cccc(\C=C2/Cc3cc(OC)c(OC)cc3C2=O)c1
Show InChI InChI=1S/C23H27NO3/c1-5-24(6-2)15-17-9-7-8-16(10-17)11-19-12-18-13-21(26-3)22(27-4)14-20(18)23(19)25/h7-11,13-14H,5-6,12,15H2,1-4H3/b19-11+
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n/an/a 0.444n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of acetylcholinesterase in Rattus norvegicus (rat) cortex by Ellman method


Citation and Details

BindingDB Entry DOI: 10.7270/Q24F1TN5
More data for this
Ligand-Target Pair
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)


(Rattus norvegicus (rat))
BDBM50248657
PNG
((E)-2-{3-[(Ethylmethylamino)methyl]benzylidene}-5,...)
Show SMILES CCN(C)Cc1cccc(\C=C2/Cc3cc(OC)c(OC)cc3C2=O)c1
Show InChI InChI=1S/C22H25NO3/c1-5-23(2)14-16-8-6-7-15(9-16)10-18-11-17-12-20(25-3)21(26-4)13-19(17)22(18)24/h6-10,12-13H,5,11,14H2,1-4H3/b18-10+
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n/an/a 0.487n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of acetylcholinesterase in Rattus norvegicus (rat) cortex by Ellman method


Citation and Details

BindingDB Entry DOI: 10.7270/Q24F1TN5
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
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
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