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Compile Data Set for Download or QSAR

Found 400 hits with Last Name = 'luo' and Initial = 'w'   
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


(Electrophorus electricus (Electric eel))
BDBM50140562
PNG
(CHEMBL3753044)
Show SMILES O=c1cc(oc2cc(OCCCCCCCCN3CCCC3)ccc12)-c1cccc2ccccc12
Show InChI InChI=1S/C31H35NO3/c33-29-23-31(27-15-11-13-24-12-5-6-14-26(24)27)35-30-22-25(16-17-28(29)30)34-21-10-4-2-1-3-7-18-32-19-8-9-20-32/h5-6,11-17,22-23H,1-4,7-10,18-21H2
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206n/an/an/an/an/an/an/an/a



Henan University

Curated by ChEMBL


Assay Description
Mixed-type inhibition of electric eel AChE using ATC as substrate assessed as hydrolysis of ATC preincubated with protein for 15 mins followed by sub...


Bioorg Med Chem 24: 672-80 (2016)


Article DOI: 10.1016/j.bmc.2015.12.031
BindingDB Entry DOI: 10.7270/Q2ZP4801
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50443692
PNG
(CHEMBL3093837)
Show SMILES CCN(CC)CCCCCCCCOc1ccc2c(c1)oc(cc2=O)-c1ccc(cc1)N(C)C
Show InChI InChI=1S/C29H40N2O3/c1-5-31(6-2)19-11-9-7-8-10-12-20-33-25-17-18-26-27(32)22-28(34-29(26)21-25)23-13-15-24(16-14-23)30(3)4/h13-18,21-22H,5-12,19-20H2,1-4H3
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386n/an/an/an/an/an/an/an/a



Henan University

Curated by ChEMBL


Assay Description
Mixed-type inhibition of electric eel AChE using acetylthiocholine chloride as substrate incubated for 15 mins prior to substrate addition by Linewea...


Bioorg Med Chem 21: 7275-82 (2013)


Article DOI: 10.1016/j.bmc.2013.09.061
BindingDB Entry DOI: 10.7270/Q25B03ZD
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM10616
PNG
((3aS)-3a,8-dimethyl-2H,3H,3aH,8H,8aH-furo[2,3-b]in...)
Show SMILES CCNC(=O)Oc1ccc2N(C)C3OCC[C@@]3(C)c2c1
Show InChI InChI=1S/C15H20N2O3/c1-4-16-14(18)20-10-5-6-12-11(9-10)15(2)7-8-19-13(15)17(12)3/h5-6,9,13H,4,7-8H2,1-3H3,(H,16,18)/t13?,15-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



National Institutes of Health



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


J Med Chem 49: 2174-85 (2006)


Article DOI: 10.1021/jm050578p
BindingDB Entry DOI: 10.7270/Q2S75DJ6
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM10616
PNG
((3aS)-3a,8-dimethyl-2H,3H,3aH,8H,8aH-furo[2,3-b]in...)
Show SMILES CCNC(=O)Oc1ccc2N(C)C3OCC[C@@]3(C)c2c1
Show InChI InChI=1S/C15H20N2O3/c1-4-16-14(18)20-10-5-6-12-11(9-10)15(2)7-8-19-13(15)17(12)3/h5-6,9,13H,4,7-8H2,1-3H3,(H,16,18)/t13?,15-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



National Institute on Aging

Curated by ChEMBL


Assay Description
Inhibitory concentration against human plasma Butyrylcholinesterase


J Med Chem 48: 986-94 (2005)


Article DOI: 10.1021/jm049309+
BindingDB Entry DOI: 10.7270/Q2TM7BWQ
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM50333767
PNG
(CHEMBL1644288 | N1-(1,2,3,4-Tetrahydroacridin-9-yl...)
Show SMILES COc1cc(CNCCCCCCNc2c3CCCCc3nc3ccccc23)cc(OC)c1OC
Show InChI InChI=1S/C29H39N3O3/c1-33-26-18-21(19-27(34-2)29(26)35-3)20-30-16-10-4-5-11-17-31-28-22-12-6-8-14-24(22)32-25-15-9-7-13-23(25)28/h6,8,12,14,18-19,30H,4-5,7,9-11,13,15-17,20H2,1-3H3,(H,31,32)
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n/an/a 2.59n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of equine BChE by Ellman's method


Bioorg Med Chem 19: 763-70 (2011)


Article DOI: 10.1016/j.bmc.2010.12.022
BindingDB Entry DOI: 10.7270/Q2T43TB0
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM50333763
PNG
(CHEMBL1644292 | N1-(3,4-Dimethoxybenzyl)-N6-(1,2,3...)
Show SMILES COc1ccc(CNCCCCCCNc2c3CCCCc3nc3ccccc23)cc1OC
Show InChI InChI=1S/C28H37N3O2/c1-32-26-16-15-21(19-27(26)33-2)20-29-17-9-3-4-10-18-30-28-22-11-5-7-13-24(22)31-25-14-8-6-12-23(25)28/h5,7,11,13,15-16,19,29H,3-4,6,8-10,12,14,17-18,20H2,1-2H3,(H,30,31)
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n/an/a 2.68n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of equine BChE by Ellman's method


Bioorg Med Chem 19: 763-70 (2011)


Article DOI: 10.1016/j.bmc.2010.12.022
BindingDB Entry DOI: 10.7270/Q2T43TB0
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM10598
PNG
((2S)-2-methyl-5,7-dioxatricyclo[6.4.0.0^{2,6}]dode...)
Show SMILES CCNC(=O)Oc1ccc2OC3OCC[C@@]3(C)c2c1
Show InChI InChI=1S/C14H17NO4/c1-3-15-13(16)18-9-4-5-11-10(8-9)14(2)6-7-17-12(14)19-11/h4-5,8,12H,3,6-7H2,1-2H3,(H,15,16)/t12?,14-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



National Institutes of Health



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


J Med Chem 49: 2174-85 (2006)


Article DOI: 10.1021/jm050578p
BindingDB Entry DOI: 10.7270/Q2S75DJ6
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM50333765
PNG
(CHEMBL1644290 | N1-(1,2,3,4-Tetrahydroacridin-9-yl...)
Show SMILES COc1cc(CNCCCCCCCCNc2c3CCCCc3nc3ccccc23)cc(OC)c1OC
Show InChI InChI=1S/C31H43N3O3/c1-35-28-20-23(21-29(36-2)31(28)37-3)22-32-18-12-6-4-5-7-13-19-33-30-24-14-8-10-16-26(24)34-27-17-11-9-15-25(27)30/h8,10,14,16,20-21,32H,4-7,9,11-13,15,17-19,22H2,1-3H3,(H,33,34)
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n/an/a 3.38n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of equine BChE by Ellman's method


Bioorg Med Chem 19: 763-70 (2011)


Article DOI: 10.1016/j.bmc.2010.12.022
BindingDB Entry DOI: 10.7270/Q2T43TB0
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50345200
PNG
(2-Methoxy-4-((8-(1,2,3,4-tetrahydroacridin-9-ylami...)
Show SMILES COc1cc(CNCCCCCCCCNc2c3CCCCc3nc3ccccc23)ccc1O
Show InChI InChI=1S/C29H39N3O2/c1-34-28-20-22(16-17-27(28)33)21-30-18-10-4-2-3-5-11-19-31-29-23-12-6-8-14-25(23)32-26-15-9-7-13-24(26)29/h6,8,12,14,16-17,20,30,33H,2-5,7,9-11,13,15,18-19,21H2,1H3,(H,31,32)
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n/an/a 3.41n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE assessed as inhibition of butylthiocholine chloride substrate hydrolysis incubated for 15 mins before substrate addi...


Eur J Med Chem 46: 2609-16 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.058
BindingDB Entry DOI: 10.7270/Q2BV7GZB
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50345205
PNG
(CHEMBL1783241 | N1-(Benzo[d][1,3]dioxol-5-ylmethyl...)
Show SMILES C(CCCCNc1c2CCCCc2nc2ccccc12)CCCNCc1ccc2OCOc2c1
Show InChI InChI=1S/C29H37N3O2/c1(3-9-17-30-20-22-15-16-27-28(19-22)34-21-33-27)2-4-10-18-31-29-23-11-5-7-13-25(23)32-26-14-8-6-12-24(26)29/h5,7,11,13,15-16,19,30H,1-4,6,8-10,12,14,17-18,20-21H2,(H,31,32)
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n/an/a 3.44n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE assessed as inhibition of butylthiocholine chloride substrate hydrolysis incubated for 15 mins before substrate addi...


Eur J Med Chem 46: 2609-16 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.058
BindingDB Entry DOI: 10.7270/Q2BV7GZB
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM50333766
PNG
(CHEMBL1644289 | N1-(1,2,3,4-Tetrahydroacridin-9-yl...)
Show SMILES COc1cc(CNCCCCCCCNc2c3CCCCc3nc3ccccc23)cc(OC)c1OC
Show InChI InChI=1S/C30H41N3O3/c1-34-27-19-22(20-28(35-2)30(27)36-3)21-31-17-11-5-4-6-12-18-32-29-23-13-7-9-15-25(23)33-26-16-10-8-14-24(26)29/h7,9,13,15,19-20,31H,4-6,8,10-12,14,16-18,21H2,1-3H3,(H,32,33)
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n/an/a 3.55n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of equine BChE by Ellman's method


Bioorg Med Chem 19: 763-70 (2011)


Article DOI: 10.1016/j.bmc.2010.12.022
BindingDB Entry DOI: 10.7270/Q2T43TB0
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM10614
PNG
((3aS)-3a,8-dimethyl-2H,3H,3aH,8H,8aH-furo[2,3-b]in...)
Show SMILES CNC(=O)Oc1ccc2N(C)C3OCC[C@@]3(C)c2c1
Show InChI InChI=1S/C14H18N2O3/c1-14-6-7-18-12(14)16(3)11-5-4-9(8-10(11)14)19-13(17)15-2/h4-5,8,12H,6-7H2,1-3H3,(H,15,17)/t12?,14-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



National Institutes of Health



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


J Med Chem 49: 2174-85 (2006)


Article DOI: 10.1021/jm050578p
BindingDB Entry DOI: 10.7270/Q2S75DJ6
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM10610
PNG
((3aS)-1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyrrolo...)
Show SMILES CCNC(=O)Oc1ccc2N(C)C3N(C)CC[C@@]3(C)c2c1
Show InChI InChI=1S/C16H23N3O2/c1-5-17-15(20)21-11-6-7-13-12(10-11)16(2)8-9-18(3)14(16)19(13)4/h6-7,10,14H,5,8-9H2,1-4H3,(H,17,20)/t14?,16-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



National Institutes of Health



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


J Med Chem 49: 2174-85 (2006)


Article DOI: 10.1021/jm050578p
BindingDB Entry DOI: 10.7270/Q2S75DJ6
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM10610
PNG
((3aS)-1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyrrolo...)
Show SMILES CCNC(=O)Oc1ccc2N(C)C3N(C)CC[C@@]3(C)c2c1
Show InChI InChI=1S/C16H23N3O2/c1-5-17-15(20)21-11-6-7-13-12(10-11)16(2)8-9-18(3)14(16)19(13)4/h6-7,10,14H,5,8-9H2,1-4H3,(H,17,20)/t14?,16-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



National Institute on Aging

Curated by ChEMBL


Assay Description
Inhibitory concentration against human plasma Butyrylcholinesterase


J Med Chem 48: 986-94 (2005)


Article DOI: 10.1021/jm049309+
BindingDB Entry DOI: 10.7270/Q2TM7BWQ
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM10614
PNG
((3aS)-3a,8-dimethyl-2H,3H,3aH,8H,8aH-furo[2,3-b]in...)
Show SMILES CNC(=O)Oc1ccc2N(C)C3OCC[C@@]3(C)c2c1
Show InChI InChI=1S/C14H18N2O3/c1-14-6-7-18-12(14)16(3)11-5-4-9(8-10(11)14)19-13(17)15-2/h4-5,8,12H,6-7H2,1-3H3,(H,15,17)/t12?,14-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



National Institute on Aging

Curated by ChEMBL


Assay Description
Inhibitory concentration against human plasma Butyrylcholinesterase


J Med Chem 48: 986-94 (2005)


Article DOI: 10.1021/jm049309+
BindingDB Entry DOI: 10.7270/Q2TM7BWQ
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50345201
PNG
(2,6-Dimethoxy-4-((8-(1,2,3,4-tetrahydroacridin-9-y...)
Show SMILES COc1cc(CNCCCCCCCCNc2c3CCCCc3nc3ccccc23)cc(OC)c1O
Show InChI InChI=1S/C30H41N3O3/c1-35-27-19-22(20-28(36-2)30(27)34)21-31-17-11-5-3-4-6-12-18-32-29-23-13-7-9-15-25(23)33-26-16-10-8-14-24(26)29/h7,9,13,15,19-20,31,34H,3-6,8,10-12,14,16-18,21H2,1-2H3,(H,32,33)
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n/an/a 4.08n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE assessed as inhibition of butylthiocholine chloride substrate hydrolysis incubated for 15 mins before substrate addi...


Eur J Med Chem 46: 2609-16 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.058
BindingDB Entry DOI: 10.7270/Q2BV7GZB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50345200
PNG
(2-Methoxy-4-((8-(1,2,3,4-tetrahydroacridin-9-ylami...)
Show SMILES COc1cc(CNCCCCCCCCNc2c3CCCCc3nc3ccccc23)ccc1O
Show InChI InChI=1S/C29H39N3O2/c1-34-28-20-22(16-17-27(28)33)21-30-18-10-4-2-3-5-11-19-31-29-23-12-6-8-14-25(23)32-26-15-9-7-13-24(26)29/h6,8,12,14,16-17,20,30,33H,2-5,7,9-11,13,15,18-19,21H2,1H3,(H,31,32)
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n/an/a 4.55n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE assessed as inhibition of acetylthiocholine chloride substrate hydrolysis incubated for 15 mins before substrate addi...


Eur J Med Chem 46: 2609-16 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.058
BindingDB Entry DOI: 10.7270/Q2BV7GZB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50345201
PNG
(2,6-Dimethoxy-4-((8-(1,2,3,4-tetrahydroacridin-9-y...)
Show SMILES COc1cc(CNCCCCCCCCNc2c3CCCCc3nc3ccccc23)cc(OC)c1O
Show InChI InChI=1S/C30H41N3O3/c1-35-27-19-22(20-28(36-2)30(27)34)21-31-17-11-5-3-4-6-12-18-32-29-23-13-7-9-15-25(23)33-26-16-10-8-14-24(26)29/h7,9,13,15,19-20,31,34H,3-6,8,10-12,14,16-18,21H2,1-2H3,(H,32,33)
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n/an/a 4.61n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE assessed as inhibition of acetylthiocholine chloride substrate hydrolysis incubated for 15 mins before substrate addi...


Eur J Med Chem 46: 2609-16 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.058
BindingDB Entry DOI: 10.7270/Q2BV7GZB
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50345206
PNG
(CHEMBL1783242 | N1-(Pyridin-4-ylmethyl)-N8-(1,2,3,...)
Show SMILES C(CCCCNc1c2CCCCc2nc2ccccc12)CCCNCc1ccncc1
Show InChI InChI=1S/C27H36N4/c1(3-9-17-29-21-22-15-19-28-20-16-22)2-4-10-18-30-27-23-11-5-7-13-25(23)31-26-14-8-6-12-24(26)27/h5,7,11,13,15-16,19-20,29H,1-4,6,8-10,12,14,17-18,21H2,(H,30,31)
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n/an/a 4.66n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE assessed as inhibition of butylthiocholine chloride substrate hydrolysis incubated for 15 mins before substrate addi...


Eur J Med Chem 46: 2609-16 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.058
BindingDB Entry DOI: 10.7270/Q2BV7GZB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50345206
PNG
(CHEMBL1783242 | N1-(Pyridin-4-ylmethyl)-N8-(1,2,3,...)
Show SMILES C(CCCCNc1c2CCCCc2nc2ccccc12)CCCNCc1ccncc1
Show InChI InChI=1S/C27H36N4/c1(3-9-17-29-21-22-15-19-28-20-16-22)2-4-10-18-30-27-23-11-5-7-13-25(23)31-26-14-8-6-12-24(26)27/h5,7,11,13,15-16,19-20,29H,1-4,6,8-10,12,14,17-18,21H2,(H,30,31)
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n/an/a 4.70n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE assessed as inhibition of acetylthiocholine chloride substrate hydrolysis incubated for 15 mins before substrate addi...


Eur J Med Chem 46: 2609-16 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.058
BindingDB Entry DOI: 10.7270/Q2BV7GZB
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM50333764
PNG
(CHEMBL1644291 | N1-(1,2,3,4-Tetrahydroacridin-9-yl...)
Show SMILES COc1cc(CNCCCCCCCCCNc2c3CCCCc3nc3ccccc23)cc(OC)c1OC
Show InChI InChI=1S/C32H45N3O3/c1-36-29-21-24(22-30(37-2)32(29)38-3)23-33-19-13-7-5-4-6-8-14-20-34-31-25-15-9-11-17-27(25)35-28-18-12-10-16-26(28)31/h9,11,15,17,21-22,33H,4-8,10,12-14,16,18-20,23H2,1-3H3,(H,34,35)
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n/an/a 4.73n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of equine BChE by Ellman's method


Bioorg Med Chem 19: 763-70 (2011)


Article DOI: 10.1016/j.bmc.2010.12.022
BindingDB Entry DOI: 10.7270/Q2T43TB0
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50345204
PNG
(CHEMBL1783240 | N1-(4-Methoxybenzyl)-N8-(1,2,3,4-t...)
Show SMILES COc1ccc(CNCCCCCCCCNc2c3CCCCc3nc3ccccc23)cc1
Show InChI InChI=1S/C29H39N3O/c1-33-24-18-16-23(17-19-24)22-30-20-10-4-2-3-5-11-21-31-29-25-12-6-8-14-27(25)32-28-15-9-7-13-26(28)29/h6,8,12,14,16-19,30H,2-5,7,9-11,13,15,20-22H2,1H3,(H,31,32)
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n/an/a 4.82n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE assessed as inhibition of butylthiocholine chloride substrate hydrolysis incubated for 15 mins before substrate addi...


Eur J Med Chem 46: 2609-16 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.058
BindingDB Entry DOI: 10.7270/Q2BV7GZB
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50345202
PNG
(3-((8-(1,2,3,4-Tetrahydroacridin-9-ylamino)octylam...)
Show SMILES Oc1cccc(CNCCCCCCCCNc2c3CCCCc3nc3ccccc23)c1
Show InChI InChI=1S/C28H37N3O/c32-23-13-11-12-22(20-23)21-29-18-9-3-1-2-4-10-19-30-28-24-14-5-7-16-26(24)31-27-17-8-6-15-25(27)28/h5,7,11-14,16,20,29,32H,1-4,6,8-10,15,17-19,21H2,(H,30,31)
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n/an/a 4.91n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE assessed as inhibition of butylthiocholine chloride substrate hydrolysis incubated for 15 mins before substrate addi...


Eur J Med Chem 46: 2609-16 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.058
BindingDB Entry DOI: 10.7270/Q2BV7GZB
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM10623
PNG
((-)Heptylstigmine | (3aS)-1,3a,8-trimethyl-1H,2H,3...)
Show SMILES CCCCCCCNC(=O)Oc1ccc2N(C)C3N(C)CC[C@@]3(C)c2c1
Show InChI InChI=1S/C21H33N3O2/c1-5-6-7-8-9-13-22-20(25)26-16-10-11-18-17(15-16)21(2)12-14-23(3)19(21)24(18)4/h10-11,15,19H,5-9,12-14H2,1-4H3,(H,22,25)/t19?,21-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



National Institutes of Health



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


J Med Chem 49: 2174-85 (2006)


Article DOI: 10.1021/jm050578p
BindingDB Entry DOI: 10.7270/Q2S75DJ6
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM10972
PNG
((3aS,8aR)-1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyr...)
Show SMILES CCCCCCCNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1
Show InChI InChI=1S/C21H33N3O2/c1-5-6-7-8-9-13-22-20(25)26-16-10-11-18-17(15-16)21(2)12-14-23(3)19(21)24(18)4/h10-11,15,19H,5-9,12-14H2,1-4H3,(H,22,25)/t19-,21+/m1/s1
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n/an/a 5n/an/an/an/an/an/a



National Institute on Aging

Curated by ChEMBL


Assay Description
Inhibitory concentration against human plasma Butyrylcholinesterase


J Med Chem 48: 986-94 (2005)


Article DOI: 10.1021/jm049309+
BindingDB Entry DOI: 10.7270/Q2TM7BWQ
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM50333771
PNG
(CHEMBL1644284 | N1-((7-Methoxybenzo[d][1,3]dioxol-...)
Show SMILES COc1cc(CNCCCCCCNc2c3CCCCc3nc3ccccc23)cc2OCOc12
Show InChI InChI=1S/C28H35N3O3/c1-32-25-16-20(17-26-28(25)34-19-33-26)18-29-14-8-2-3-9-15-30-27-21-10-4-6-12-23(21)31-24-13-7-5-11-22(24)27/h4,6,10,12,16-17,29H,2-3,5,7-9,11,13-15,18-19H2,1H3,(H,30,31)
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n/an/a 5.19n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of equine BChE by Ellman's method


Bioorg Med Chem 19: 763-70 (2011)


Article DOI: 10.1016/j.bmc.2010.12.022
BindingDB Entry DOI: 10.7270/Q2T43TB0
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50345199
PNG
(4-((8-(1,2,3,4-Tetrahydroacridin-9-ylamino)octylam...)
Show SMILES Oc1ccc(CNCCCCCCCCNc2c3CCCCc3nc3ccccc23)cc1
Show InChI InChI=1S/C28H37N3O/c32-23-17-15-22(16-18-23)21-29-19-9-3-1-2-4-10-20-30-28-24-11-5-7-13-26(24)31-27-14-8-6-12-25(27)28/h5,7,11,13,15-18,29,32H,1-4,6,8-10,12,14,19-21H2,(H,30,31)
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n/an/a 5.31n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE assessed as inhibition of butylthiocholine chloride substrate hydrolysis incubated for 15 mins before substrate addi...


Eur J Med Chem 46: 2609-16 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.058
BindingDB Entry DOI: 10.7270/Q2BV7GZB
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM50333762
PNG
(CHEMBL1644293 | N1-(3,4-Dimethoxybenzyl)-N7-(1,2,3...)
Show SMILES COc1ccc(CNCCCCCCCNc2c3CCCCc3nc3ccccc23)cc1OC
Show InChI InChI=1S/C29H39N3O2/c1-33-27-17-16-22(20-28(27)34-2)21-30-18-10-4-3-5-11-19-31-29-23-12-6-8-14-25(23)32-26-15-9-7-13-24(26)29/h6,8,12,14,16-17,20,30H,3-5,7,9-11,13,15,18-19,21H2,1-2H3,(H,31,32)
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n/an/a 5.51n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of equine BChE by Ellman's method


Bioorg Med Chem 19: 763-70 (2011)


Article DOI: 10.1016/j.bmc.2010.12.022
BindingDB Entry DOI: 10.7270/Q2T43TB0
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM50333761
PNG
(CHEMBL1644294 | N1-(3,4-Dimethoxybenzyl)-N8-(1,2,3...)
Show SMILES COc1ccc(CNCCCCCCCCNc2c3CCCCc3nc3ccccc23)cc1OC
Show InChI InChI=1S/C30H41N3O2/c1-34-28-18-17-23(21-29(28)35-2)22-31-19-11-5-3-4-6-12-20-32-30-24-13-7-9-15-26(24)33-27-16-10-8-14-25(27)30/h7,9,13,15,17-18,21,31H,3-6,8,10-12,14,16,19-20,22H2,1-2H3,(H,32,33)
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n/an/a 5.57n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of equine BChE by Ellman's method


Bioorg Med Chem 19: 763-70 (2011)


Article DOI: 10.1016/j.bmc.2010.12.022
BindingDB Entry DOI: 10.7270/Q2T43TB0
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM50333760
PNG
(CHEMBL1644295 | N1-(3,4-Dimethoxybenzyl)-N9-(1,2,3...)
Show SMILES COc1ccc(CNCCCCCCCCCNc2c3CCCCc3nc3ccccc23)cc1OC
Show InChI InChI=1S/C31H43N3O2/c1-35-29-19-18-24(22-30(29)36-2)23-32-20-12-6-4-3-5-7-13-21-33-31-25-14-8-10-16-27(25)34-28-17-11-9-15-26(28)31/h8,10,14,16,18-19,22,32H,3-7,9,11-13,15,17,20-21,23H2,1-2H3,(H,33,34)
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n/an/a 5.67n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of equine BChE by Ellman's method


Bioorg Med Chem 19: 763-70 (2011)


Article DOI: 10.1016/j.bmc.2010.12.022
BindingDB Entry DOI: 10.7270/Q2T43TB0
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50161789
PNG
(CHEMBL369554 | Ethyl-carbamic acid 3a-methyl-2,3,3...)
Show SMILES CCNC(=O)Oc1ccc2OC3OCCC3(C)c2c1
Show InChI InChI=1S/C14H17NO4/c1-3-15-13(16)18-9-4-5-11-10(8-9)14(2)6-7-17-12(14)19-11/h4-5,8,12H,3,6-7H2,1-2H3,(H,15,16)
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n/an/a 6n/an/an/an/an/an/a



National Institute on Aging

Curated by ChEMBL


Assay Description
Inhibitory concentration against human plasma Butyrylcholinesterase


J Med Chem 48: 986-94 (2005)


Article DOI: 10.1021/jm049309+
BindingDB Entry DOI: 10.7270/Q2TM7BWQ
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50077263
PNG
((-)-Phenethylcymserine | (4-Isopropyl-phenyl)-carb...)
Show SMILES CC(C)c1ccc(NC(=O)Oc2ccc3N(C)C4N(CCc5ccccc5)CC[C@@]4(C)c3c2)cc1
Show InChI InChI=1S/C30H35N3O2/c1-21(2)23-10-12-24(13-11-23)31-29(34)35-25-14-15-27-26(20-25)30(3)17-19-33(28(30)32(27)4)18-16-22-8-6-5-7-9-22/h5-15,20-21,28H,16-19H2,1-4H3,(H,31,34)/t28?,30-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



National Institute on Aging

Curated by ChEMBL


Assay Description
Inhibition of human plasma BChE pretreated for 30 mins by Ellman technique


Bioorg Med Chem 18: 4687-93 (2011)


Article DOI: 10.1016/j.bmc.2010.05.022
BindingDB Entry DOI: 10.7270/Q2KS6SHB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50345205
PNG
(CHEMBL1783241 | N1-(Benzo[d][1,3]dioxol-5-ylmethyl...)
Show SMILES C(CCCCNc1c2CCCCc2nc2ccccc12)CCCNCc1ccc2OCOc2c1
Show InChI InChI=1S/C29H37N3O2/c1(3-9-17-30-20-22-15-16-27-28(19-22)34-21-33-27)2-4-10-18-31-29-23-11-5-7-13-25(23)32-26-14-8-6-12-24(26)29/h5,7,11,13,15-16,19,30H,1-4,6,8-10,12,14,17-18,20-21H2,(H,31,32)
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n/an/a 6.14n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE assessed as inhibition of acetylthiocholine chloride substrate hydrolysis incubated for 15 mins before substrate addi...


Eur J Med Chem 46: 2609-16 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.058
BindingDB Entry DOI: 10.7270/Q2BV7GZB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50345199
PNG
(4-((8-(1,2,3,4-Tetrahydroacridin-9-ylamino)octylam...)
Show SMILES Oc1ccc(CNCCCCCCCCNc2c3CCCCc3nc3ccccc23)cc1
Show InChI InChI=1S/C28H37N3O/c32-23-17-15-22(16-18-23)21-29-19-9-3-1-2-4-10-20-30-28-24-11-5-7-13-26(24)31-27-14-8-6-12-25(27)28/h5,7,11,13,15-18,29,32H,1-4,6,8-10,12,14,19-21H2,(H,30,31)
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n/an/a 7.48n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE assessed as inhibition of acetylthiocholine chloride substrate hydrolysis incubated for 15 mins before substrate addi...


Eur J Med Chem 46: 2609-16 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.058
BindingDB Entry DOI: 10.7270/Q2BV7GZB
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50345197
PNG
(4-((6-(1,2,3,4-Tetrahydroacridin-9-ylamino)hexylam...)
Show SMILES Oc1ccc(CNCCCCCCNc2c3CCCCc3nc3ccccc23)cc1
Show InChI InChI=1S/C26H33N3O/c30-21-15-13-20(14-16-21)19-27-17-7-1-2-8-18-28-26-22-9-3-5-11-24(22)29-25-12-6-4-10-23(25)26/h3,5,9,11,13-16,27,30H,1-2,4,6-8,10,12,17-19H2,(H,28,29)
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n/an/a 7.5n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE assessed as inhibition of butylthiocholine chloride substrate hydrolysis incubated for 15 mins before substrate addi...


Eur J Med Chem 46: 2609-16 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.058
BindingDB Entry DOI: 10.7270/Q2BV7GZB
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM50333769
PNG
(CHEMBL1644286 | N1-((7-Methoxybenzo[d][1,3]dioxol-...)
Show SMILES COc1cc(CNCCCCCCCCNc2c3CCCCc3nc3ccccc23)cc2OCOc12
Show InChI InChI=1S/C30H39N3O3/c1-34-27-18-22(19-28-30(27)36-21-35-28)20-31-16-10-4-2-3-5-11-17-32-29-23-12-6-8-14-25(23)33-26-15-9-7-13-24(26)29/h6,8,12,14,18-19,31H,2-5,7,9-11,13,15-17,20-21H2,1H3,(H,32,33)
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n/an/a 7.94n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of equine BChE by Ellman's method


Bioorg Med Chem 19: 763-70 (2011)


Article DOI: 10.1016/j.bmc.2010.12.022
BindingDB Entry DOI: 10.7270/Q2T43TB0
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50333769
PNG
(CHEMBL1644286 | N1-((7-Methoxybenzo[d][1,3]dioxol-...)
Show SMILES COc1cc(CNCCCCCCCCNc2c3CCCCc3nc3ccccc23)cc2OCOc12
Show InChI InChI=1S/C30H39N3O3/c1-34-27-18-22(19-28-30(27)36-21-35-28)20-31-16-10-4-2-3-5-11-17-32-29-23-12-6-8-14-25(23)33-26-15-9-7-13-24(26)29/h6,8,12,14,18-19,31H,2-5,7,9-11,13,15-17,20-21H2,1H3,(H,32,33)
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n/an/a 7.98n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by Ellman's method


Bioorg Med Chem 19: 763-70 (2011)


Article DOI: 10.1016/j.bmc.2010.12.022
BindingDB Entry DOI: 10.7270/Q2T43TB0
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50345198
PNG
(2-Methoxy-4-((6-(1,2,3,4-tetrahydroacridin-9-ylami...)
Show SMILES COc1cc(CNCCCCCCNc2c3CCCCc3nc3ccccc23)ccc1O
Show InChI InChI=1S/C27H35N3O2/c1-32-26-18-20(14-15-25(26)31)19-28-16-8-2-3-9-17-29-27-21-10-4-6-12-23(21)30-24-13-7-5-11-22(24)27/h4,6,10,12,14-15,18,28,31H,2-3,5,7-9,11,13,16-17,19H2,1H3,(H,29,30)
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n/an/a 9.28n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE assessed as inhibition of butylthiocholine chloride substrate hydrolysis incubated for 15 mins before substrate addi...


Eur J Med Chem 46: 2609-16 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.058
BindingDB Entry DOI: 10.7270/Q2BV7GZB
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM50333770
PNG
(CHEMBL1644285 | N1-((7-Methoxybenzo[d][1,3]dioxol-...)
Show SMILES COc1cc(CNCCCCCCCNc2c3CCCCc3nc3ccccc23)cc2OCOc12
Show InChI InChI=1S/C29H37N3O3/c1-33-26-17-21(18-27-29(26)35-20-34-27)19-30-15-9-3-2-4-10-16-31-28-22-11-5-7-13-24(22)32-25-14-8-6-12-23(25)28/h5,7,11,13,17-18,30H,2-4,6,8-10,12,14-16,19-20H2,1H3,(H,31,32)
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n/an/a 9.73n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of equine BChE by Ellman's method


Bioorg Med Chem 19: 763-70 (2011)


Article DOI: 10.1016/j.bmc.2010.12.022
BindingDB Entry DOI: 10.7270/Q2T43TB0
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50333765
PNG
(CHEMBL1644290 | N1-(1,2,3,4-Tetrahydroacridin-9-yl...)
Show SMILES COc1cc(CNCCCCCCCCNc2c3CCCCc3nc3ccccc23)cc(OC)c1OC
Show InChI InChI=1S/C31H43N3O3/c1-35-28-20-23(21-29(36-2)31(28)37-3)22-32-18-12-6-4-5-7-13-19-33-30-24-14-8-10-16-26(24)34-27-17-11-9-15-25(27)30/h8,10,14,16,20-21,32H,4-7,9,11-13,15,17-19,22H2,1-3H3,(H,33,34)
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n/an/a 9.77n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by Ellman's method


Bioorg Med Chem 19: 763-70 (2011)


Article DOI: 10.1016/j.bmc.2010.12.022
BindingDB Entry DOI: 10.7270/Q2T43TB0
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM10611
PNG
((3aS)-1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyrrolo...)
Show SMILES CN1CC[C@]2(C)C1N(C)c1ccc(OC(=O)Nc3ccccc3C)cc21
Show InChI InChI=1S/C21H25N3O2/c1-14-7-5-6-8-17(14)22-20(25)26-15-9-10-18-16(13-15)21(2)11-12-23(3)19(21)24(18)4/h5-10,13,19H,11-12H2,1-4H3,(H,22,25)/t19?,21-/m0/s1
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n/an/a 10n/an/an/an/a8.037



National Institutes of Health



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


J Med Chem 49: 2174-85 (2006)


Article DOI: 10.1021/jm050578p
BindingDB Entry DOI: 10.7270/Q2S75DJ6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM10611
PNG
((3aS)-1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyrrolo...)
Show SMILES CN1CC[C@]2(C)C1N(C)c1ccc(OC(=O)Nc3ccccc3C)cc21
Show InChI InChI=1S/C21H25N3O2/c1-14-7-5-6-8-17(14)22-20(25)26-15-9-10-18-16(13-15)21(2)11-12-23(3)19(21)24(18)4/h5-10,13,19H,11-12H2,1-4H3,(H,22,25)/t19?,21-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



National Institute on Aging

Curated by ChEMBL


Assay Description
Inhibitory concentration against human erythrocyte Acetylcholinesterase


J Med Chem 48: 986-94 (2005)


Article DOI: 10.1021/jm049309+
BindingDB Entry DOI: 10.7270/Q2TM7BWQ
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50345203
PNG
(2-((8-(1,2,3,4-Tetrahydroacridin-9-ylamino)octylam...)
Show SMILES Oc1ccccc1CNCCCCCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C28H37N3O/c32-27-18-10-5-13-22(27)21-29-19-11-3-1-2-4-12-20-30-28-23-14-6-8-16-25(23)31-26-17-9-7-15-24(26)28/h5-6,8,10,13-14,16,18,29,32H,1-4,7,9,11-12,15,17,19-21H2,(H,30,31)
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n/an/a 10.2n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE assessed as inhibition of butylthiocholine chloride substrate hydrolysis incubated for 15 mins before substrate addi...


Eur J Med Chem 46: 2609-16 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.058
BindingDB Entry DOI: 10.7270/Q2BV7GZB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM10611
PNG
((3aS)-1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyrrolo...)
Show SMILES CN1CC[C@]2(C)C1N(C)c1ccc(OC(=O)Nc3ccccc3C)cc21
Show InChI InChI=1S/C21H25N3O2/c1-14-7-5-6-8-17(14)22-20(25)26-15-9-10-18-16(13-15)21(2)11-12-23(3)19(21)24(18)4/h5-10,13,19H,11-12H2,1-4H3,(H,22,25)/t19?,21-/m0/s1
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n/an/a 10.3n/an/an/an/an/an/a



National Institute on Aging

Curated by ChEMBL


Assay Description
Inhibition of human whole RBC AChE pretreated for 30 mins by Ellman technique


Bioorg Med Chem 18: 4687-93 (2011)


Article DOI: 10.1016/j.bmc.2010.05.022
BindingDB Entry DOI: 10.7270/Q2KS6SHB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50333761
PNG
(CHEMBL1644294 | N1-(3,4-Dimethoxybenzyl)-N8-(1,2,3...)
Show SMILES COc1ccc(CNCCCCCCCCNc2c3CCCCc3nc3ccccc23)cc1OC
Show InChI InChI=1S/C30H41N3O2/c1-34-28-18-17-23(21-29(28)35-2)22-31-19-11-5-3-4-6-12-20-32-30-24-13-7-9-15-26(24)33-27-16-10-8-14-25(27)30/h7,9,13,15,17-18,21,31H,3-6,8,10-12,14,16,19-20,22H2,1-2H3,(H,32,33)
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n/an/a 11.3n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by Ellman's method


Bioorg Med Chem 19: 763-70 (2011)


Article DOI: 10.1016/j.bmc.2010.12.022
BindingDB Entry DOI: 10.7270/Q2T43TB0
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM50333768
PNG
(CHEMBL1644287 | N1-((7-Methoxybenzo[d][1,3]dioxol-...)
Show SMILES COc1cc(CNCCCCCCCCCNc2c3CCCCc3nc3ccccc23)cc2OCOc12
Show InChI InChI=1S/C31H41N3O3/c1-35-28-19-23(20-29-31(28)37-22-36-29)21-32-17-11-5-3-2-4-6-12-18-33-30-24-13-7-9-15-26(24)34-27-16-10-8-14-25(27)30/h7,9,13,15,19-20,32H,2-6,8,10-12,14,16-18,21-22H2,1H3,(H,33,34)
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n/an/a 11.4n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of equine BChE by Ellman's method


Bioorg Med Chem 19: 763-70 (2011)


Article DOI: 10.1016/j.bmc.2010.12.022
BindingDB Entry DOI: 10.7270/Q2T43TB0
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50345203
PNG
(2-((8-(1,2,3,4-Tetrahydroacridin-9-ylamino)octylam...)
Show SMILES Oc1ccccc1CNCCCCCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C28H37N3O/c32-27-18-10-5-13-22(27)21-29-19-11-3-1-2-4-12-20-30-28-23-14-6-8-16-25(23)31-26-17-9-7-15-24(26)28/h5-6,8,10,13-14,16,18,29,32H,1-4,7,9,11-12,15,17,19-21H2,(H,30,31)
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n/an/a 12.5n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE assessed as inhibition of acetylthiocholine chloride substrate hydrolysis incubated for 15 mins before substrate addi...


Eur J Med Chem 46: 2609-16 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.058
BindingDB Entry DOI: 10.7270/Q2BV7GZB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM10617
PNG
((3aS)-3a,8-dimethyl-2H,3H,3aH,8H,8aH-furo[2,3-b]in...)
Show SMILES CN1C2OCC[C@@]2(C)c2cc(OC(=O)Nc3ccccc3C)ccc12
Show InChI InChI=1S/C20H22N2O3/c1-13-6-4-5-7-16(13)21-19(23)25-14-8-9-17-15(12-14)20(2)10-11-24-18(20)22(17)3/h4-9,12,18H,10-11H2,1-3H3,(H,21,23)/t18?,20-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



National Institute on Aging

Curated by ChEMBL


Assay Description
Inhibitory concentration against human erythrocyte Acetylcholinesterase


J Med Chem 48: 986-94 (2005)


Article DOI: 10.1021/jm049309+
BindingDB Entry DOI: 10.7270/Q2TM7BWQ
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM10626
PNG
((-)-(3aS)-3a-Methyl-2,3,3a,8a-Tetrahydrofuro[2,3-b...)
Show SMILES CC(C)c1ccc(NC(=O)Oc2ccc3OC4OCC[C@@]4(C)c3c2)cc1
Show InChI InChI=1S/C21H23NO4/c1-13(2)14-4-6-15(7-5-14)22-20(23)25-16-8-9-18-17(12-16)21(3)10-11-24-19(21)26-18/h4-9,12-13,19H,10-11H2,1-3H3,(H,22,23)/t19?,21-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



National Institutes of Health



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


J Med Chem 49: 2174-85 (2006)


Article DOI: 10.1021/jm050578p
BindingDB Entry DOI: 10.7270/Q2S75DJ6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM10617
PNG
((3aS)-3a,8-dimethyl-2H,3H,3aH,8H,8aH-furo[2,3-b]in...)
Show SMILES CN1C2OCC[C@@]2(C)c2cc(OC(=O)Nc3ccccc3C)ccc12
Show InChI InChI=1S/C20H22N2O3/c1-13-6-4-5-7-16(13)21-19(23)25-14-8-9-17-15(12-14)20(2)10-11-24-18(20)22(17)3/h4-9,12,18H,10-11H2,1-3H3,(H,21,23)/t18?,20-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



National Institutes of Health



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


J Med Chem 49: 2174-85 (2006)


Article DOI: 10.1021/jm050578p
BindingDB Entry DOI: 10.7270/Q2S75DJ6
More data for this
Ligand-Target Pair
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