Found 136 hits Enzyme Inhibition Constant Data Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Cholinesterases
(542/542 = 100%)† (Homo sapiens (Human)) | BDBM8960
 ((+/-)-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 | PDB MMDB
NCI pathway Reactome pathway KEGG
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| 2.90 | -48.7 | n/a | n/a | n/a | n/a | n/a | 8.0 | 25 |
Universita di Siena
| Assay Description Inhibition of enzyme activity was measured over a substrate concentration range of 0.01-30 mM and at least six inhibitor concentrations to determine ... |
J Med Chem 48: 1919-29 (2005)
Article DOI: 10.1021/jm049510k BindingDB Entry DOI: 10.7270/Q27P8WMJ |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Acetylcholinesterase
(507/542 = 94%)† (Bos taurus (bovine)) | BDBM8960
 ((+/-)-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 | PDB MMDB
Reactome pathway KEGG
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| 2.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Siena
Curated by ChEMBL
| Assay Description Inhibition of fetal Bovine serum AChE |
J Med Chem 46: 1-4 (2002)
Article DOI: 10.1021/jm0255668 BindingDB Entry DOI: 10.7270/Q2GF0V7X |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Cholinesterases
(542/542 = 100%)† (Homo sapiens (Human)) | BDBM8960
 ((+/-)-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 | PDB MMDB
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| 7.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Birla Institute of Technology
Curated by ChEMBL
| Assay Description Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate after 60 mins by Ellman's method |
Bioorg Med Chem Lett 23: 702-5 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.100 BindingDB Entry DOI: 10.7270/Q2F19118 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Cholinesterases
(542/542 = 100%)† (Homo sapiens (Human)) | BDBM8960
 ((+/-)-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 | PDB MMDB
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| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi della Magna Gr£cia Viale Europa
Curated by ChEMBL
| Assay Description Mixed inhibition of human erythrocytes AchE using acetylthiocholine iodide as substrate incubated for 20 mins by Lineweaver-Burk plot analysis |
ACS Med Chem Lett 7: 470-5 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00483 BindingDB Entry DOI: 10.7270/Q2PN97JV |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Cholinesterases
(542/542 = 100%)† (Homo sapiens (Human)) | BDBM8960
 ((+/-)-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 | PDB MMDB
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| 20.5 | -45.6 | 23.1 | n/a | n/a | n/a | n/a | 8.0 | 37 |
University of Bologna
| Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. Estimates of the competitive inhibition constants (Ki) were ob... |
J Med Chem 46: 2279-82 (2003)
Article DOI: 10.1021/jm0340602 BindingDB Entry DOI: 10.7270/Q29Z9332 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Cholinesterases
(542/542 = 100%)† (Homo sapiens (Human)) | BDBM8960
 ((+/-)-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 | PDB MMDB
NCI pathway Reactome pathway KEGG
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| 20.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bologna
Curated by ChEMBL
| Assay Description Inhibition of human recombinant AChE |
J Med Chem 47: 6490-8 (2004)
Article DOI: 10.1021/jm0494366 BindingDB Entry DOI: 10.7270/Q2JD4W91 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Cholinesterases
(542/542 = 100%)† (Homo sapiens (Human)) | BDBM8960
 ((+/-)-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 | PDB MMDB
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| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bologna
Curated by ChEMBL
| Assay Description Inhibition of AChE |
J Med Chem 53: 5906-14 (2010)
Article DOI: 10.1021/jm100293f BindingDB Entry DOI: 10.7270/Q2B56JXF |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Cholinesterases
(542/542 = 100%)† (Homo sapiens (Human)) | BDBM8960
 ((+/-)-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 | PDB MMDB
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| 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
COMSATS Institute of Information Technology
| Assay Description Inhibition assay using AChE and BuChE. |
Chem Biol Drug Des 80: 605-15 (2012)
Article DOI: 10.1111/j.1747-0285.2012.01435.x BindingDB Entry DOI: 10.7270/Q28P5Z3T |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Cholinesterases; ACHE & BCHE
(542/542 = 100%)† (Homo sapiens (Human)) | BDBM8960
 ((+/-)-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 | PDB MMDB
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| 38 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description Mixed-type inhibition of human AChE using acetylthiocholine chloride as substrate incubated for 5 mins followed by substrate addition by Lineweaver-B... |
Eur J Med Chem 157: 161-176 (2018)
Article DOI: 10.1016/j.ejmech.2018.08.005 BindingDB Entry DOI: 10.7270/Q29P34C1 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)
(480/542 = 89%)† (Rattus norvegicus (rat)) | BDBM8960
 ((+/-)-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 | PDB MMDB
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| n/a | n/a | 0.0160 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of acetylcholinesterase in Rattus norvegicus (rat) cortex by Ellman method |
Citation and Details
Article DOI: 10.1007/s00044-012-0227-3 BindingDB Entry DOI: 10.7270/Q24F1TN5 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Cholinesterases
(542/542 = 100%)† (Homo sapiens (Human)) | BDBM8960
 ((+/-)-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 | PDB MMDB
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| n/a | n/a | 0.120 | n/a | n/a | n/a | n/a | n/a | n/a |
Madurai Kamaraj University
Curated by ChEMBL
| Assay Description Inhibition of AChE (unknown origin) using acetylcholine as substrate preincubated for 15 mins followed by substrate addition measured every minute by... |
Bioorg Med Chem Lett 27: 3071-3075 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.050 BindingDB Entry DOI: 10.7270/Q2BG2RDS |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Acetylcholinesterase
(480/542 = 89%)† (Rattus norvegicus (rat)) | BDBM8960
 ((+/-)-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 | PDB MMDB
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| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/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)
Article DOI: 10.1021/jm00015a020 BindingDB Entry DOI: 10.7270/Q22B8X2S |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Cholinesterases
(542/542 = 100%)† (Homo sapiens (Human)) | BDBM8960
 ((+/-)-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 | PDB MMDB
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| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Bari Aldo Moro
Curated by ChEMBL
| Assay Description Inhibition of acetylcholinesterase (unknown origin) |
Bioorg Med Chem 21: 146-52 (2012)
Article DOI: 10.1016/j.bmc.2012.10.045 BindingDB Entry DOI: 10.7270/Q2QV3NTH |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Cholinesterases
(542/542 = 100%)† (Homo sapiens (Human)) | BDBM8960
 ((+/-)-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 | PDB MMDB
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| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of acetylcholinesterase (AChE) of human red blood cell (type XIII) by modified radiometric AChE assay |
Bioorg Med Chem Lett 2: 861-864 (1992)
Article DOI: 10.1016/S0960-894X(00)80545-4 BindingDB Entry DOI: 10.7270/Q29886XS |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Cholinesterases; ACHE & BCHE
(542/542 = 100%)† (Homo sapiens (Human)) | BDBM8960
 ((+/-)-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 | PDB MMDB
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| n/a | n/a | 3.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Central South University
Curated by ChEMBL
| Assay Description Inhibition of human AChE using acetylthiocholine as substrate by Ellman's method |
Eur J Med Chem 138: 738-747 (2017)
Article DOI: 10.1016/j.ejmech.2017.07.006 BindingDB Entry DOI: 10.7270/Q2HM5C2T |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Acetylcholinesterase
(507/542 = 94%)† (Bos taurus (bovine)) | BDBM8960
 ((+/-)-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 | PDB MMDB
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| n/a | n/a | 4.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Bari Aldo Moro
Curated by ChEMBL
| Assay Description Inhibition of bovine acetylcholinesterase using acetylcholine iodide as substrate incubated for 20 mins prior to substrate addition meausred after 3 ... |
Bioorg Med Chem 21: 146-52 (2012)
Article DOI: 10.1016/j.bmc.2012.10.045 BindingDB Entry DOI: 10.7270/Q2QV3NTH |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Acetylcholinesterase
(480/542 = 89%)† (Rattus norvegicus (rat)) | BDBM8960
 ((+/-)-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 | PDB MMDB
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| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Zhejiang University
Curated by ChEMBL
| Assay Description Inhibition of AChE in rat cortex homogenates using acetylthiocholine iodide as substrate after 15 mins by Ellman's method |
Bioorg Med Chem 19: 7158-67 (2011)
Article DOI: 10.1016/j.bmc.2011.09.061 BindingDB Entry DOI: 10.7270/Q24F1R52 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Acetylcholinesterase
(480/542 = 89%)† (Rattus norvegicus (rat)) | BDBM50037187
 ((2R)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimeth...)Show SMILES COc1cc2C[C@@H](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/t20-/m1/s1 | PDB MMDB
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| n/a | n/a | 5.30 | n/a | n/a | n/a | n/a | n/a | n/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 |  3D Structure (crystal) |
Acetylcholinesterase
(480/542 = 89%)† (Mus musculus (mouse)) | BDBM8960
 ((+/-)-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 | PDB MMDB
Reactome pathway KEGG
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| PDB Article PubMed
| n/a | n/a | 5.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Company, Ltd
Curated by ChEMBL
| Assay Description Inhibitory activity against acetylcholinesterase |
J Med Chem 38: 4821-9 (1996)
Article DOI: 10.1021/jm00024a009 BindingDB Entry DOI: 10.7270/Q2QC045T |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Acetylcholinesterase
(480/542 = 89%)† (Rattus norvegicus (rat)) | BDBM8960
 ((+/-)-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 | PDB MMDB
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| PDB Article PubMed
| n/a | n/a | 5.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Laboratori de Qu�mica Farmac�utica (Unitat Associada al CSIC)
Curated by ChEMBL
| Assay Description Inhibition of rat cortex AChE |
J Med Chem 51: 3588-98 (2008)
Article DOI: 10.1021/jm8001313 BindingDB Entry DOI: 10.7270/Q2F76DGK |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Cholinesterases; ACHE & BCHE
(542/542 = 100%)† (Homo sapiens (Human)) | BDBM8960
 ((+/-)-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 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| DrugBank PDB Article PubMed
| n/a | n/a | 5.70 | n/a | n/a | n/a | n/a | n/a | n/a |
University of S£o Paulo
Curated by ChEMBL
| Assay Description Inhibition of human AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured over 5 mins by U... |
Eur J Med Chem 139: 773-791 (2017)
Article DOI: 10.1016/j.ejmech.2017.08.051 BindingDB Entry DOI: 10.7270/Q2XS5XWN |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Acetylcholinesterase
(480/542 = 89%)† (Mus musculus (mouse)) | BDBM8960
 ((+/-)-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 | PDB MMDB
Reactome pathway KEGG
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| PDB Article PubMed
| n/a | n/a | 5.70 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description Inhibition of AChE in mouse brain homogenate using acetylthiocholine as substrate preincubated for 300 secs followed by substrate addition by Ellman'... |
J Med Chem 61: 119-139 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01086 BindingDB Entry DOI: 10.7270/Q2S75JRJ |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Acetylcholinesterase
(480/542 = 89%)† (Rattus norvegicus (rat)) | BDBM8960
 ((+/-)-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 | PDB MMDB
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| PDB Article
| n/a | n/a | 5.70 | n/a | n/a | n/a | n/a | n/a | n/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 |  3D Structure (crystal) |
Cholinesterases
(542/542 = 100%)† (Homo sapiens (Human)) | BDBM8960
 ((+/-)-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 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| DrugBank PDB Article PubMed
| n/a | n/a | 5.70 | n/a | n/a | n/a | n/a | n/a | n/a |
The Hong Kong University of Science and Technology
Curated by ChEMBL
| Assay Description Inhibition of AChE (unknown origin) |
Bioorg Med Chem 21: 676-83 (2013)
Article DOI: 10.1016/j.bmc.2012.11.044 BindingDB Entry DOI: 10.7270/Q20C4X3F |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Cholinesterases; ACHE & BCHE
(542/542 = 100%)† (Homo sapiens (Human)) | BDBM8960
 ((+/-)-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 | PDB MMDB
NCI pathway Reactome pathway KEGG
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| DrugBank PDB Article PubMed
| n/a | n/a | 5.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Federal University of Alfenas
Curated by ChEMBL
| Assay Description Apparent affinity to inhibit binding of [3H]-pCCK-8 to Cholecystokinin type A receptor of guinea pig pancreatic membranes |
Eur J Med Chem 147: 48-65 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.066 BindingDB Entry DOI: 10.7270/Q2K64MM0 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Cholinesterases; ACHE & BCHE
(542/542 = 100%)† (Homo sapiens (Human)) | BDBM8960
 ((+/-)-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 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| DrugBank PDB Article PubMed
| n/a | n/a | 5.70 | n/a | n/a | n/a | n/a | n/a | n/a |
University of S£o Paulo
Curated by ChEMBL
| Assay Description Inhibition of recombinant human AChE using acetylthiocholine iodide as substrate pretreated for 5 mins followed by substrate addition measured for 5 ... |
Eur J Med Chem 145: 431-444 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.007 BindingDB Entry DOI: 10.7270/Q2JQ13PD |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Acetylcholinesterase
(507/542 = 94%)† (Bos taurus (bovine)) | BDBM8960
 ((+/-)-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 | PDB MMDB
Reactome pathway KEGG
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| PDB Article PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Strutturistica Chimica G. Giacomello
Curated by ChEMBL
| Assay Description Compound was evaluated for the inhibition of acetylcholinesterase (AChE) in bovine brain |
Bioorg Med Chem Lett 8: 575-80 (1999)
Article DOI: 10.1016/s0960-894x(98)00076-6 BindingDB Entry DOI: 10.7270/Q2S181N2 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Cholinesterases
(542/542 = 100%)† (Homo sapiens (Human)) | BDBM8960
 ((+/-)-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 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| DrugBank PDB Article PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description Inhibition of human recombinant AChE pre-incubated for 5 mins before addition of acetylthiocholine iodide substrate by Ellman's assay |
Bioorg Med Chem 23: 1629-37 (2015)
Article DOI: 10.1016/j.bmc.2015.01.045 BindingDB Entry DOI: 10.7270/Q2PN979Q |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Cholinesterases
(542/542 = 100%)† (Homo sapiens (Human)) | BDBM8960
 ((+/-)-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 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| DrugBank PDB Article PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Alchemical Research, LLC
Curated by ChEMBL
| Assay Description Inhibition of AChE-induced amyloid beta aggregation |
Bioorg Med Chem Lett 21: 2687-91 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.041 BindingDB Entry DOI: 10.7270/Q27W6CH9 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Cholinesterases
(542/542 = 100%)† (Homo sapiens (Human)) | BDBM8960
 ((+/-)-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 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| DrugBank PDB Article PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Collegium Medicum
Curated by ChEMBL
| Assay Description Inhibition of human recombinant AChE preincubated for 5 mins followed by acetylthiocholine iodide substrate addition measured after 5 mins by Ellman'... |
Eur J Med Chem 124: 63-81 (2016)
Article DOI: 10.1016/j.ejmech.2016.08.016 BindingDB Entry DOI: 10.7270/Q2PZ5BT8 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Cholinesterases
(542/542 = 100%)† (Homo sapiens (Human)) | BDBM8960
 ((+/-)-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 | PDB MMDB
NCI pathway Reactome pathway KEGG
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| DrugBank PDB Article PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description Inhibition of human recombinant AChE after 5 mins by Ellman's method |
Eur J Med Chem 92: 738-49 (2015)
Article DOI: 10.1016/j.ejmech.2015.01.027 BindingDB Entry DOI: 10.7270/Q23T9JXZ |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Cholinesterases
(542/542 = 100%)† (Homo sapiens (Human)) | BDBM8960
 ((+/-)-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 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| DrugBank PDB Article PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
CERMN
Curated by ChEMBL
| Assay Description Inhibition of human erythrocyte AChE pre-incubated for 5 mins before acetylthiocholine iodide substrate by Ellman' method |
J Med Chem 58: 3172-87 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00115 BindingDB Entry DOI: 10.7270/Q2HQ41MH |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Cholinesterases
(542/542 = 100%)† (Homo sapiens (Human)) | BDBM8960
 ((+/-)-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 | PDB MMDB
NCI pathway Reactome pathway KEGG
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| DrugBank PDB
| n/a | n/a | 6.16 | n/a | n/a | n/a | n/a | 8.0 | 25 |
Hacettepe University
| Assay Description Reactions were performed in a mediumcontaining substrate (0.05-0.4 mM) combined with 0.125 mM DTNB in 100 mM 3-(N-morpholino)propanesulfonic acid buf... |
Bioorg Chem 72: 208-214 (2017)
BindingDB Entry DOI: 10.7270/Q2JM28HK |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Cholinesterases; ACHE & BCHE
(542/542 = 100%)† (Homo sapiens (Human)) | BDBM8960
 ((+/-)-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 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| DrugBank PDB Article PubMed
| n/a | n/a | 6.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Mansoura University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant AChE using acetylthiocholine as substrate by UV-visible spectrophotometric Ellman's method |
Bioorg Med Chem Lett 28: 2910-2913 (2018)
Article DOI: 10.1016/j.bmcl.2018.07.019 BindingDB Entry DOI: 10.7270/Q2R21422 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Cholinesterases
(542/542 = 100%)† (Homo sapiens (Human)) | BDBM8960
 ((+/-)-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 | PDB MMDB
NCI pathway Reactome pathway KEGG
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| DrugBank PDB Article PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description Inhibition of AchE (unknown origin) |
ACS Med Chem Lett 7: 341-4 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00099 BindingDB Entry DOI: 10.7270/Q2NG4SJJ |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Acetylcholinesterase
(480/542 = 89%)† (Rattus norvegicus (rat)) | BDBM8960
 ((+/-)-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 | PDB MMDB
KEGG
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| PDB Article PubMed
| n/a | n/a | 7.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description Inhibition of AChE in rat cortex preincubated for 20 mins by Ellman method |
Bioorg Med Chem 17: 1600-13 (2009)
Article DOI: 10.1016/j.bmc.2008.12.067 BindingDB Entry DOI: 10.7270/Q24J0F0R |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Cholinesterases
(542/542 = 100%)† (Homo sapiens (Human)) | BDBM8960
 ((+/-)-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 | PDB MMDB
NCI pathway Reactome pathway KEGG
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| DrugBank PDB Article PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Strutturistica Chimica G. Giacomello
Curated by ChEMBL
| Assay Description Compound was evaluated for the inhibition of acetylcholinesterase (AChE) in human erythrocytes |
Bioorg Med Chem Lett 8: 575-80 (1999)
Article DOI: 10.1016/s0960-894x(98)00076-6 BindingDB Entry DOI: 10.7270/Q2S181N2 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Cholinesterases
(542/542 = 100%)† (Homo sapiens (Human)) | BDBM8960
 ((+/-)-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 | PDB MMDB
NCI pathway Reactome pathway KEGG
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| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
NOBEL ILAÇ
US Patent
| Assay Description The potential of the compounds of the present invention to inhibit acetylcholinesterase and butyrylcholinesterase enzymes were tested according to th... |
US Patent US9586925 (2017)
BindingDB Entry DOI: 10.7270/Q24Q7X1C |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Acetylcholinesterase
(507/542 = 94%)† (Bos taurus (bovine)) | BDBM8960
 ((+/-)-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 | PDB MMDB
Reactome pathway KEGG
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| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Strutturistica Chimica G. Giacomello
Curated by ChEMBL
| Assay Description Compound was evaluated for the inhibition of acetylcholinesterase in Torpedo californica |
Bioorg Med Chem Lett 8: 575-80 (1999)
Article DOI: 10.1016/s0960-894x(98)00076-6 BindingDB Entry DOI: 10.7270/Q2S181N2 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Cholinesterases
(542/542 = 100%)† (Homo sapiens (Human)) | BDBM8960
 ((+/-)-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 | PDB MMDB
NCI pathway Reactome pathway KEGG
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| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description Inhibition of AChE |
Eur J Med Chem 45: 1167-72 (2010)
Article DOI: 10.1016/j.ejmech.2009.12.038 BindingDB Entry DOI: 10.7270/Q25H7GFM |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Cholinesterases
(542/542 = 100%)† (Homo sapiens (Human)) | BDBM8960
 ((+/-)-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 | PDB MMDB
NCI pathway Reactome pathway KEGG
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| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description Concentration required to inhibit 50% of Acetylcholinesterase obtained from human erythrocytes was determined in vitro |
J Med Chem 38: 1084-9 (1995)
Article DOI: 10.1021/jm00007a005 BindingDB Entry DOI: 10.7270/Q21N81S7 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Cholinesterases
(542/542 = 100%)† (Homo sapiens (Human)) | BDBM8960
 ((+/-)-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 | PDB MMDB
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| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description Evaluated for the in vitro inhibition of the Acetylcholinesterase (AChE) from human erythrocytes |
J Med Chem 37: 2721-34 (1994)
Article DOI: 10.1021/jm00043a012 BindingDB Entry DOI: 10.7270/Q2VT1R4X |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Cholinesterases
(542/542 = 100%)† (Homo sapiens (Human)) | BDBM8960
 ((+/-)-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 | PDB MMDB
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| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Eastern Mediterranean University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant AChE using acetylthiocholine iodide substrate incubated for 15 mins by spectrophotometry based Ellman's method |
Bioorg Med Chem 22: 5141-54 (2014)
Article DOI: 10.1016/j.bmc.2014.08.016 BindingDB Entry DOI: 10.7270/Q2WH2RKB |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Cholinesterases
(542/542 = 100%)† (Homo sapiens (Human)) | BDBM8960
 ((+/-)-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 | PDB MMDB
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| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Missouri St. Louis
Curated by ChEMBL
| Assay Description Inhibition against Acetylcholinesterase (AChE) |
J Med Chem 39: 380-7 (1996)
Article DOI: 10.1021/jm950704x BindingDB Entry DOI: 10.7270/Q25D8T1Q |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Acetylcholinesterase
(507/542 = 94%)† (Bos taurus (bovine)) | BDBM8960
 ((+/-)-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 | PDB MMDB
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| n/a | n/a | 8.12 | n/a | n/a | n/a | n/a | n/a | n/a |
Laboratori de Qu�mica Farmac�utica (Unitat Associada al CSIC)
Curated by ChEMBL
| Assay Description Inhibition of bovine erythrocyte AChE by Ellman's assay |
J Med Chem 51: 3588-98 (2008)
Article DOI: 10.1021/jm8001313 BindingDB Entry DOI: 10.7270/Q2F76DGK |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Cholinesterases
(542/542 = 100%)† (Homo sapiens (Human)) | BDBM8960
 ((+/-)-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 | PDB MMDB
NCI pathway Reactome pathway KEGG
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| n/a | n/a | 8.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad Autonoma de Madrid
Curated by ChEMBL
| Assay Description Inhibition of AChE in human erythrocytes by Ellman's method |
J Med Chem 53: 5129-43 (2010)
Article DOI: 10.1021/jm901902w BindingDB Entry DOI: 10.7270/Q25T3MFV |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Cholinesterases
(542/542 = 100%)† (Homo sapiens (Human)) | BDBM8960
 ((+/-)-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 | PDB MMDB
NCI pathway Reactome pathway KEGG
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| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Okayama University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant AChE expressed in HEK293 cells using acetylthiocholine iodide as substrate preincubated for 30 mins followed by subst... |
Eur J Med Chem 121: 864-879 (2016)
Article DOI: 10.1016/j.ejmech.2015.10.001 BindingDB Entry DOI: 10.7270/Q2B27X8T |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Cholinesterases
(542/542 = 100%)† (Homo sapiens (Human)) | BDBM8960
 ((+/-)-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 | PDB MMDB
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | 8.0 | 25 |
AIMST University
| Assay Description The in vitro AChE inhibitory activity was measured using the methods described earlier [Biochem. Pharmacol. 7:88-95]. Briefly, stock solutions (1mg/m... |
Bioorg Chem 67: 9-17 (2016)
Article DOI: 10.1016/j.bioorg.2016.05.002 BindingDB Entry DOI: 10.7270/Q2P849PS |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Cholinesterases; ACHE & BCHE
(542/542 = 100%)† (Homo sapiens (Human)) | BDBM8960
 ((+/-)-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 | PDB MMDB
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto de Qu£mica Org£nica General (CSIC)
Curated by ChEMBL
| Assay Description Inhibition of purified human erythrocyte AChE using acetylcholine as substrate by Ellman's method |
Eur J Med Chem 67: 64-74 (2013)
Article DOI: 10.1016/j.ejmech.2013.06.021 BindingDB Entry DOI: 10.7270/Q2KW5JZX |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Cholinesterases; ACHE & BCHE
(542/542 = 100%)† (Homo sapiens (Human)) | BDBM8960
 ((+/-)-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 | PDB MMDB
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Porto
Curated by ChEMBL
| Assay Description Inhibition of human AChE using acetylthiocholine iodide as substrate pretreated for 5 mins followed by substrate addition measured after 5 mins by El... |
Eur J Med Chem 158: 781-800 (2018)
Article DOI: 10.1016/j.ejmech.2018.07.056 BindingDB Entry DOI: 10.7270/Q2F192DM |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Cholinesterases; ACHE & BCHE
(542/542 = 100%)† (Homo sapiens (Human)) | BDBM8960
 ((+/-)-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 | PDB MMDB
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Consejo Superior de Investigaciones Cient�ficas (IQM-CSIC)
Curated by ChEMBL
| Assay Description Inhibition of recombinant human AChE expressed in HEK293 cells using acetylthiocholine iodide as substrate pretreated for 5 mins followed by substrat... |
Eur J Med Chem 156: 534-553 (2018)
Article DOI: 10.1016/j.ejmech.2018.07.026 BindingDB Entry DOI: 10.7270/Q2N300PH |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Cholinesterases
(542/542 = 100%)† (Homo sapiens (Human)) | BDBM8960
 ((+/-)-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 | PDB MMDB
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated for 6 mins followed by substrate addition measured up t... |
Bioorg Med Chem 24: 1528-39 (2016)
Article DOI: 10.1016/j.bmc.2016.02.023 BindingDB Entry DOI: 10.7270/Q2125VHK |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Cholinesterases; ACHE & BCHE
(542/542 = 100%)† (Homo sapiens (Human)) | BDBM8960
 ((+/-)-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 | PDB MMDB
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto de Qu£mica M£dica
Curated by ChEMBL
| Assay Description Inhibition of recombinant human AChE expressed in HEK293 cells using acetylthiocholine iodide as substrate pretreated for 5 mins followed by substrat... |
Eur J Med Chem 130: 60-72 (2017)
Article DOI: 10.1016/j.ejmech.2017.02.034 BindingDB Entry DOI: 10.7270/Q2JD5086 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Cholinesterases
(542/542 = 100%)† (Homo sapiens (Human)) | BDBM8960
 ((+/-)-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 | PDB MMDB
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto de Qu£mica M£dica
Curated by ChEMBL
| Assay Description Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured for ... |
Eur J Med Chem 121: 376-386 (2016)
Article DOI: 10.1016/j.ejmech.2016.05.055 BindingDB Entry DOI: 10.7270/Q2HX1FNV |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Cholinesterases
(542/542 = 100%)† (Homo sapiens (Human)) | BDBM8960
 ((+/-)-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 | PDB MMDB
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto de Qu£mica Org£nica General (CSIC)
Curated by ChEMBL
| Assay Description Inhibition of human erythrocyte AChE using acetylthiocholine as substrate by Ellman method |
Eur J Med Chem 57: 296-301 (2012)
Article DOI: 10.1016/j.ejmech.2012.09.030 BindingDB Entry DOI: 10.7270/Q2MP54CK |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Cholinesterases
(542/542 = 100%)† (Homo sapiens (Human)) | BDBM8960
 ((+/-)-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 | PDB MMDB
NCI pathway Reactome pathway KEGG
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| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
UNIVERSITE DE CAEN
US Patent
| Assay Description Acetylcholinesterase extracted from human erythrocytes (buffered aqueous solution, ≧500 units/mg, Sigma Aldrich) is diluted in a 20 mM HEPES bu... |
US Patent US9663465 (2017)
BindingDB Entry DOI: 10.7270/Q23J3G2W |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Cholinesterases
(542/542 = 100%)† (Homo sapiens (Human)) | BDBM8960
 ((+/-)-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 | PDB MMDB
NCI pathway Reactome pathway KEGG
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| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi della Magna Gr£cia Viale Europa
Curated by ChEMBL
| Assay Description Inhibition of human erythrocytes AchE using acetylthiocholine iodide as substrate incubated for 20 mins by Ellman method |
ACS Med Chem Lett 7: 470-5 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00483 BindingDB Entry DOI: 10.7270/Q2PN97JV |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Cholinesterases
(542/542 = 100%)† (Homo sapiens (Human)) | BDBM8960
 ((+/-)-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 | PDB MMDB
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| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanyang Normal University
Curated by ChEMBL
| Assay Description Competitive inhibitory activity against steroid sulfatase (STS) |
Eur J Med Chem 130: 379-392 (2017)
Article DOI: 10.1016/j.ejmech.2017.02.039 BindingDB Entry DOI: 10.7270/Q2F76FVX |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Acetylcholinesterase
(480/542 = 89%)† (Rattus norvegicus (rat)) | BDBM8960
 ((+/-)-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 | PDB MMDB
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Zhejiang University
Curated by ChEMBL
| Assay Description Inhibition of AChE in rat cortex homogenates using acetylthiocholine iodide substrate incubated for 15 mins by UV spectroscopy based Ellman's method |
Bioorg Med Chem 22: 4717-25 (2014)
Article DOI: 10.1016/j.bmc.2014.07.009 BindingDB Entry DOI: 10.7270/Q22809B6 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Cholinesterases
(542/542 = 100%)† (Homo sapiens (Human)) | BDBM8960
 ((+/-)-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 | PDB MMDB
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| n/a | n/a | 11.6 | n/a | n/a | n/a | n/a | n/a | n/a |
Laboratori de Qu�mica Farmac�utica (Unitat Associada al CSIC)
Curated by ChEMBL
| Assay Description Inhibition of human erythrocyte AChE by Ellman's assay |
J Med Chem 51: 3588-98 (2008)
Article DOI: 10.1021/jm8001313 BindingDB Entry DOI: 10.7270/Q2F76DGK |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Acetylcholinesterase
(480/542 = 89%)† (Rattus norvegicus (rat)) | BDBM8960
 ((+/-)-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 | PDB MMDB
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Zhejiang University
Curated by ChEMBL
| Assay Description Inhibition of AChE in rat cortex after 15 mins by modified Ellman's method |
Bioorg Med Chem 17: 6692-8 (2009)
Article DOI: 10.1016/j.bmc.2009.07.072 BindingDB Entry DOI: 10.7270/Q29S1R4M |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Cholinesterases; ACHE & BCHE
(542/542 = 100%)† (Homo sapiens (Human)) | BDBM8960
 ((+/-)-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 | PDB MMDB
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| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Sun Yat-sen University
Curated by ChEMBL
| Assay Description Inhibition of human erythrocyte AChE preincubated for 15 mins by Ellman's method |
Eur J Med Chem 87: 429-39 (2014)
Article DOI: 10.1016/j.ejmech.2014.09.081 BindingDB Entry DOI: 10.7270/Q2CF9T2R |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Acetylcholinesterase
(480/542 = 89%)† (Rattus norvegicus (rat)) | BDBM8960
 ((+/-)-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 | PDB MMDB
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Zhejiang University
Curated by ChEMBL
| Assay Description Inhibition of AChE in rat cortex after 15 mins by modified Ellman method |
Eur J Med Chem 44: 7-17 (2008)
Article DOI: 10.1016/j.ejmech.2008.03.003 BindingDB Entry DOI: 10.7270/Q29W0F8B |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Cholinesterases; ACHE & BCHE
(542/542 = 100%)† (Homo sapiens (Human)) | BDBM8960
 ((+/-)-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 | PDB MMDB
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| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate after 15 mins by Ellman's method |
Eur J Med Chem 135: 307-323 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.054 BindingDB Entry DOI: 10.7270/Q2H41TX2 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Cholinesterases
(542/542 = 100%)† (Homo sapiens (Human)) | BDBM8960
 ((+/-)-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 | PDB MMDB
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| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description Inhibition of AChE in human erythrocytes using acetylthiocholine iodide as substrate after 15 mins by Ellman's method |
Eur J Med Chem 94: 348-66 (2015)
Article DOI: 10.1016/j.ejmech.2015.02.063 BindingDB Entry DOI: 10.7270/Q2GQ70HK |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)
(480/542 = 89%)† (Rattus norvegicus (rat)) | BDBM8960
 ((+/-)-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 | PDB MMDB
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| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Punjabi University
Curated by ChEMBL
| Assay Description Inhibition of rat brain AChE using acetylthiocholine iodide as substrate by spectroscopic method |
Bioorg Med Chem 25: 6273-6285 (2017)
Article DOI: 10.1016/j.bmc.2017.09.012 BindingDB Entry DOI: 10.7270/Q22V2JP6 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Cholinesterases
(542/542 = 100%)† (Homo sapiens (Human)) | BDBM8960
 ((+/-)-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 | PDB MMDB
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| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
1st Affiliated Hospital of Guangxi Medical University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition by Ellman's m... |
Eur J Med Chem 103: 302-11 (2015)
Article DOI: 10.1016/j.ejmech.2015.08.052 BindingDB Entry DOI: 10.7270/Q21V5GT0 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)
(480/542 = 89%)† (Rattus norvegicus (rat)) | BDBM8960
 ((+/-)-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 | PDB MMDB
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| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description Inhibition of rat cortex homogenate AChE using acetylthiocholine iodide as substrate after 15 mins in presence of BuChE inhibitor iso-OMPA by Ellman'... |
Eur J Med Chem 135: 307-323 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.054 BindingDB Entry DOI: 10.7270/Q2H41TX2 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Cholinesterases
(542/542 = 100%)† (Homo sapiens (Human)) | BDBM8960
 ((+/-)-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 | PDB MMDB
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| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Bari"Aldo Moro"
Curated by ChEMBL
| Assay Description Inhibition of human recombinant AChE by spectrophotometric Ellman's method |
J Med Chem 58: 5561-78 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00599 BindingDB Entry DOI: 10.7270/Q26T0PCZ |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Acetylcholinesterase
(480/542 = 89%)† (Rattus norvegicus (rat)) | BDBM8960
 ((+/-)-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 | PDB MMDB
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| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description Inhibition of AChE from rat cortex homogenate using acetylthiocholine iodide as substrate after 15 mins by Ellman method |
Bioorg Med Chem 23: 911-23 (2015)
Article DOI: 10.1016/j.bmc.2015.01.042 BindingDB Entry DOI: 10.7270/Q2BG2QS9 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Acetylcholinesterase
(480/542 = 89%)† (Rattus norvegicus (rat)) | BDBM8960
 ((+/-)-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 | PDB MMDB
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| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description Inhibition of AChE in rat cortex using acetylthiocholine iodide as substrate after 15 mins by Ellman's method |
Eur J Med Chem 94: 348-66 (2015)
Article DOI: 10.1016/j.ejmech.2015.02.063 BindingDB Entry DOI: 10.7270/Q2GQ70HK |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Cholinesterases
(542/542 = 100%)† (Homo sapiens (Human)) | BDBM8960
 ((+/-)-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 | PDB MMDB
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| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Laboratorio de Quimica Medica (IQOG, CSIC)
Curated by ChEMBL
| Assay Description Inhibition of recombinant human AChE expressed in HEK293 cells preincubated for 15 mins |
J Med Chem 57: 10455-63 (2014)
Article DOI: 10.1021/jm501501a BindingDB Entry DOI: 10.7270/Q2WS8VX3 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Cholinesterases
(542/542 = 100%)† (Homo sapiens (Human)) | BDBM8960
 ((+/-)-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 | PDB MMDB
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| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Louis Pasteur
Curated by ChEMBL
| Assay Description Inhibitory concentration against acetylcholinesterase (AChE) from human erythrocytes |
J Med Chem 42: 730-41 (1999)
Article DOI: 10.1021/jm981101z BindingDB Entry DOI: 10.7270/Q26M37JW |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)
(480/542 = 89%)† (Rattus norvegicus (rat)) | BDBM8960
 ((+/-)-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 | PDB MMDB
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| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of acetylcholinesterase in Rattus norvegicus (rat) cortex by Ellman method |
Citation and Details
Article DOI: 10.1007/s00044-012-0227-3 BindingDB Entry DOI: 10.7270/Q24F1TN5 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Acetylcholinesterase
(480/542 = 89%)† (Rattus norvegicus (rat)) | BDBM8960
 ((+/-)-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 | PDB MMDB
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| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Zhejiang University
Curated by ChEMBL
| Assay Description In vitro inhibitory concentration against rat cortex acetylcholinesterase |
Bioorg Med Chem Lett 15: 3834-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.132 BindingDB Entry DOI: 10.7270/Q27H1KBV |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Cholinesterases
(542/542 = 100%)† (Homo sapiens (Human)) | BDBM8960
 ((+/-)-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 | PDB MMDB
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| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Louis Pasteur
Curated by ChEMBL
| Assay Description In vitro inhibition of acetylcholinesterase from human erythrocytes |
J Med Chem 44: 2707-18 (2001)
Article DOI: 10.1021/jm001088u BindingDB Entry DOI: 10.7270/Q2222VG9 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Cholinesterases
(542/542 = 100%)† (Homo sapiens (Human)) | BDBM8960
 ((+/-)-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 | PDB MMDB
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| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Granada
Curated by ChEMBL
| Assay Description Inhibition of human recombinant AChE after 20 mins using acetylthiocholine iodide as a substrate by Ellman's assay |
J Med Chem 54: 2627-45 (2011)
Article DOI: 10.1021/jm101299d BindingDB Entry DOI: 10.7270/Q2SQ90QT |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Cholinesterases
(542/542 = 100%)† (Homo sapiens (Human)) | BDBM8960
 ((+/-)-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 | PDB MMDB
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| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Organon Laboratories Ltd
Curated by ChEMBL
| Assay Description In vitro inhibition of human recombinant AChE. |
Bioorg Med Chem Lett 12: 2565-8 (2002)
Article DOI: 10.1016/s0960-894x(02)00482-1 BindingDB Entry DOI: 10.7270/Q2CZ37Q4 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Acetylcholinesterase
(507/542 = 94%)† (Bos taurus (bovine)) | BDBM8960
 ((+/-)-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 | PDB MMDB
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| n/a | n/a | 19 | n/a | n/a | n/a | n/a | 8.0 | 30 |
Neuropharma
| Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 405 nm were recorded for 10 min with... |
Bioorg Med Chem 13: 6588-97 (2005)
Article DOI: 10.1016/j.bmc.2005.09.029 BindingDB Entry DOI: 10.7270/Q2G73BW9 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Acetylcholinesterase
(480/542 = 89%)† (Rattus norvegicus (rat)) | BDBM8960
 ((+/-)-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 | PDB MMDB
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| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description Inhibition of AChE in rat brain cortex homogenates using acetylthiocholine iodide as substrate in presence of BuChE inhibitor tetraisopropyl pyrophos... |
Eur J Med Chem 126: 762-775 (2017)
Article DOI: 10.1016/j.ejmech.2016.12.009 BindingDB Entry DOI: 10.7270/Q2NG4SW1 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Cholinesterases
(542/542 = 100%)† (Homo sapiens (Human)) | BDBM8960
 ((+/-)-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 | PDB MMDB
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| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanyang Normal University
Curated by ChEMBL
| Assay Description Inhibition of human erythrocyte AChE using acetylthiocholine chloride as substrate incubated for 15 mins by Ellman's method |
Bioorg Med Chem Lett 27: 5053-5059 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.055 BindingDB Entry DOI: 10.7270/Q22J6F9F |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Acetylcholinesterase
(507/542 = 94%)† (Bos taurus (bovine)) | BDBM8960
 ((+/-)-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 | PDB MMDB
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| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Laboratori de Qu�mica Farmac�utica (Unitat Associada al CSIC)
Curated by ChEMBL
| Assay Description Inhibition of bovine erythrocyte AChE by Ellman's assay |
J Med Chem 51: 3588-98 (2008)
Article DOI: 10.1021/jm8001313 BindingDB Entry DOI: 10.7270/Q2F76DGK |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Acetylcholinesterase
(480/542 = 89%)† (Rattus norvegicus (rat)) | BDBM8960
 ((+/-)-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 | PDB MMDB
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| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Materia Medica
Curated by ChEMBL
| Assay Description Inhibitory activity of the compound was tested against Acetylcholinesterase (AChE) in rat brain hippocamal crude homogenate |
Bioorg Med Chem Lett 9: 3279-84 (2000)
Article DOI: 10.1016/s0960-894x(99)00597-1 BindingDB Entry DOI: 10.7270/Q2ZP45B8 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Cholinesterases; ACHE & BCHE
(542/542 = 100%)† (Homo sapiens (Human)) | BDBM8960
 ((+/-)-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 | PDB MMDB
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| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Sapienza University of Rome
Curated by ChEMBL
| Assay Description Inhibition of human serum AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured for 3 min... |
Eur J Med Chem 141: 197-210 (2017)
Article DOI: 10.1016/j.ejmech.2017.09.022 BindingDB Entry DOI: 10.7270/Q27083ZM |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Cholinesterases
(542/542 = 100%)† (Homo sapiens (Human)) | BDBM8960
 ((+/-)-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 | PDB MMDB
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| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description Inhibition of AChE (unknown origin) assessed as inhibition of acetylcholine hydrolysis preincubated for 15 mins by Ellman method |
J Nat Prod 77: 2716-9 (2014)
Article DOI: 10.1021/np500558b BindingDB Entry DOI: 10.7270/Q2Z32183 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Cholinesterases
(542/542 = 100%)† (Homo sapiens (Human)) | BDBM8960
 ((+/-)-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 | PDB MMDB
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| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bologna
Curated by ChEMBL
| Assay Description Inhibition of human recombinant AChE by Ellman's method |
Eur J Med Chem 44: 1341-8 (2009)
Article DOI: 10.1016/j.ejmech.2008.02.035 BindingDB Entry DOI: 10.7270/Q2833RT4 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Cholinesterases
(542/542 = 100%)† (Homo sapiens (Human)) | BDBM8960
 ((+/-)-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 | PDB MMDB
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| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bologna
Curated by ChEMBL
| Assay Description Inhibition of human recombinant AChE preincubated for 20 mins before substrate addition by Ellman's method |
Bioorg Med Chem 18: 1749-60 (2010)
Article DOI: 10.1016/j.bmc.2010.01.071 BindingDB Entry DOI: 10.7270/Q2P26Z7H |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Acetylcholinesterase
(480/542 = 89%)† (Rattus norvegicus (rat)) | BDBM8960
 ((+/-)-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 | PDB MMDB
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| n/a | n/a | 21.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Punjabi University
Curated by ChEMBL
| Assay Description Inhibition of AChE activity in rat brain homogenate using acetylthiocholine as substrate by Ellman's method |
Bioorg Med Chem 20: 521-30 (2011)
Article DOI: 10.1016/j.bmc.2011.05.027 BindingDB Entry DOI: 10.7270/Q22B903F |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Cholinesterases
(542/542 = 100%)† (Homo sapiens (Human)) | BDBM8960
 ((+/-)-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 | PDB MMDB
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| n/a | n/a | 22 | n/a | n/a | n/a | n/a | 8.0 | 37 |
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 45: 3684-91 (2002)
Article DOI: 10.1021/jm010491d BindingDB Entry DOI: 10.7270/Q22J6933 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Cholinesterases
(542/542 = 100%)† (Homo sapiens (Human)) | BDBM8960
 ((+/-)-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 | PDB MMDB
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| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/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 |  3D Structure (crystal) |
Cholinesterases
(542/542 = 100%)† (Homo sapiens (Human)) | BDBM8960
 ((+/-)-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 | PDB MMDB
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| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Genova
Curated by ChEMBL
| Assay Description Inhibition of human erythrocytes AChE |
Eur J Med Chem 46: 2170-84 (2011)
Article DOI: 10.1016/j.ejmech.2011.02.071 BindingDB Entry DOI: 10.7270/Q2BK1CPG |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Cholinesterases
(542/542 = 100%)† (Homo sapiens (Human)) | BDBM8960
 ((+/-)-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 | PDB MMDB
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| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Genova
Curated by ChEMBL
| Assay Description Inhibition of human plasma AChE |
Eur J Med Chem 46: 2170-84 (2011)
Article DOI: 10.1016/j.ejmech.2011.02.071 BindingDB Entry DOI: 10.7270/Q2BK1CPG |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Cholinesterases
(542/542 = 100%)† (Homo sapiens (Human)) | BDBM8960
 ((+/-)-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 | PDB MMDB
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| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/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 |  3D Structure (crystal) |
Cholinesterases; ACHE & BCHE
(542/542 = 100%)† (Homo sapiens (Human)) | BDBM8960
 ((+/-)-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 | PDB MMDB
NCI pathway Reactome pathway KEGG
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| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description Inhibition of AChE (unknown origin) |
Eur J Med Chem 156: 598-617 (2018)
Article DOI: 10.1016/j.ejmech.2018.07.033 BindingDB Entry DOI: 10.7270/Q27W6FW2 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)
(480/542 = 89%)† (Rattus norvegicus (rat)) | BDBM8960
 ((+/-)-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 | PDB MMDB
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| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of AchE in Rattus norvegicus (rat) cortex homogenates by Ellman's method |
Citation and Details
Article DOI: 10.1007/s00044-012-0162-3 BindingDB Entry DOI: 10.7270/Q25D8VS0 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Cholinesterases; ACHE & BCHE
(542/542 = 100%)† (Homo sapiens (Human)) | BDBM8960
 ((+/-)-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 | PDB MMDB
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| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Physiologically Active Compounds Russian Academy of Sciences
Curated by ChEMBL
| Assay Description Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by Ellman's ... |
Bioorg Med Chem 24: 1050-62 (2016)
Article DOI: 10.1016/j.bmc.2016.01.031 BindingDB Entry DOI: 10.7270/Q2B85C4Q |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Cholinesterases
(542/542 = 100%)† (Homo sapiens (Human)) | BDBM8960
 ((+/-)-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 | PDB MMDB
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| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bologna
Curated by ChEMBL
| Assay Description Inhibition of human AchE |
J Med Chem 51: 347-72 (2008)
Article DOI: 10.1021/jm7009364 BindingDB Entry DOI: 10.7270/Q25B039W |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Cholinesterases
(542/542 = 100%)† (Homo sapiens (Human)) | BDBM8960
 ((+/-)-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 | PDB MMDB
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| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bologna
Curated by ChEMBL
| Assay Description Inhibition of human recombinant acetylcholinesterase |
J Med Chem 50: 4882-97 (2007)
Article DOI: 10.1021/jm070559a BindingDB Entry DOI: 10.7270/Q218379R |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Cholinesterases
(542/542 = 100%)† (Homo sapiens (Human)) | BDBM8960
 ((+/-)-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 | PDB MMDB
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| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bologna
Curated by ChEMBL
| Assay Description Inhibition of human AChE using acetylthiocholine iodide as substrate by Ellman's assay |
Eur J Med Chem 46: 1682-93 (2011)
Article DOI: 10.1016/j.ejmech.2011.02.019 BindingDB Entry DOI: 10.7270/Q2X92BM2 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Cholinesterases
(542/542 = 100%)† (Homo sapiens (Human)) | BDBM8960
 ((+/-)-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 | PDB MMDB
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| n/a | n/a | 23 | n/a | n/a | n/a | n/a | 8.0 | 25 |
The M. S. University of Baroda
| Assay Description Suitable agents like donepezil hydrochloride and tacrine hydrochloride hydrate were used as standards for this study. Buffer solution (50 mM Tris-HCl... |
Bioorg Chem 61: 7-12 (2015)
Article DOI: 10.1016/j.bioorg.2015.05.005 BindingDB Entry DOI: 10.7270/Q2WS8S05 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Cholinesterases
(542/542 = 100%)† (Homo sapiens (Human)) | BDBM8960
 ((+/-)-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 | PDB MMDB
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| n/a | n/a | 23.1 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bologna
Curated by ChEMBL
| Assay Description Inhibition of human recombinant AChE by Ellman's assay |
J Med Chem 51: 7308-12 (2009)
Article DOI: 10.1021/jm8009684 BindingDB Entry DOI: 10.7270/Q2MW2J3W |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Acetylcholinesterase
(480/542 = 89%)† (Rattus norvegicus (rat)) | BDBM8960
 ((+/-)-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 | PDB MMDB
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| n/a | n/a | 26.8 | n/a | n/a | n/a | n/a | n/a | n/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 |  3D Structure (crystal) |
Cholinesterases
(542/542 = 100%)† (Homo sapiens (Human)) | BDBM8960
 ((+/-)-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 | PDB MMDB
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| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Waterloo
Curated by ChEMBL
| Assay Description Inhibition of human AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured for 60 to 300 se... |
Eur J Med Chem 126: 823-843 (2017)
Article DOI: 10.1016/j.ejmech.2016.12.005 BindingDB Entry DOI: 10.7270/Q2D220WF |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Cholinesterases; ACHE & BCHE
(542/542 = 100%)† (Homo sapiens (Human)) | BDBM8960
 ((+/-)-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 | PDB MMDB
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| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Sun Yat-sen University
Curated by ChEMBL
| Assay Description Inhibition of human erythrocyte AChE using acetylthiocholine chloride as substrate pretreated for 15 mins followed by substrate addition measured for... |
Eur J Med Chem 130: 139-153 (2017)
Article DOI: 10.1016/j.ejmech.2017.02.042 BindingDB Entry DOI: 10.7270/Q2P55R0J |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Acetylcholinesterase
(480/542 = 89%)† (Rattus norvegicus (rat)) | BDBM8960
 ((+/-)-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 | PDB MMDB
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| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
The Hong Kong University of Science and Technology
Curated by ChEMBL
| Assay Description Inhibition of AChE in Sprague-Dawley rat cortices using acetylthiocholine iodide as substrate by Ellman's method |
Bioorg Med Chem 21: 676-83 (2013)
Article DOI: 10.1016/j.bmc.2012.11.044 BindingDB Entry DOI: 10.7270/Q20C4X3F |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Cholinesterases; ACHE & BCHE
(542/542 = 100%)† (Homo sapiens (Human)) | BDBM8960
 ((+/-)-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 | PDB MMDB
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| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai University of Traditional Chinese Medicine
Curated by ChEMBL
| Assay Description Inhibition of human AChE using acetylthiocholine iodide as substrate preincubated for 6 mins followed by substrate addition measured up to 180 secs b... |
Eur J Med Chem 139: 48-59 (2017)
Article DOI: 10.1016/j.ejmech.2017.07.055 BindingDB Entry DOI: 10.7270/Q2GM89X1 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Cholinesterases
(542/542 = 100%)† (Homo sapiens (Human)) | BDBM8960
 ((+/-)-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 | PDB MMDB
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| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Waterloo
Curated by ChEMBL
| Assay Description Inhibition of human AChE using acetylthiocholine iodide as substrate after 5 mins by DTNB method |
Bioorg Med Chem Lett 22: 4707-12 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.077 BindingDB Entry DOI: 10.7270/Q27S7PSZ |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Cholinesterases
(542/542 = 100%)† (Homo sapiens (Human)) | BDBM8960
 ((+/-)-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 | PDB MMDB
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| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Waterloo
Curated by ChEMBL
| Assay Description Inhibition of human AChE incubated with compounf for 5 mins before addition of substrate acetylthiocholine iodide by Ellman's method |
Bioorg Med Chem 19: 2269-81 (2011)
Article DOI: 10.1016/j.bmc.2011.02.030 BindingDB Entry DOI: 10.7270/Q2Q240JH |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Cholinesterases
(542/542 = 100%)† (Homo sapiens (Human)) | BDBM8960
 ((+/-)-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 | PDB MMDB
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| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Waterloo
Curated by ChEMBL
| Assay Description Inhibition of human AChE by Ellman's assay |
Bioorg Med Chem Lett 21: 5881-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.091 BindingDB Entry DOI: 10.7270/Q2C829P7 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Acetylcholinesterase
(480/542 = 89%)† (Rattus norvegicus (rat)) | BDBM8960
 ((+/-)-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 | PDB MMDB
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| n/a | n/a | 35.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Parma
Curated by ChEMBL
| Assay Description Inhibition of acetylcholinesterase in Wistar rat brain homogenate by Ellman's method |
Bioorg Med Chem 16: 9911-24 (2008)
Article DOI: 10.1016/j.bmc.2008.10.029 BindingDB Entry DOI: 10.7270/Q2FQ9XVP |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Cholinesterases
(542/542 = 100%)† (Homo sapiens (Human)) | BDBM8960
 ((+/-)-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 | PDB MMDB
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| n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate measured after 15 mins by Ellman's method |
Eur J Med Chem 126: 762-775 (2017)
Article DOI: 10.1016/j.ejmech.2016.12.009 BindingDB Entry DOI: 10.7270/Q2NG4SW1 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Acetylcholinesterase
(480/542 = 89%)† (Rattus norvegicus (rat)) | BDBM8960
 ((+/-)-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 | PDB MMDB
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| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanyang Normal University
Curated by ChEMBL
| Assay Description Inhibition of rat cortex homogenate AChE using acetylthiocholine chloride as substrate incubated for 15 mins by Ellman's method |
Bioorg Med Chem Lett 27: 5053-5059 (2017)
Article DOI: 10.1016/j.bmcl.2017.09.055 BindingDB Entry DOI: 10.7270/Q22J6F9F |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Acetylcholinesterase
(480/542 = 89%)† (Rattus norvegicus (rat)) | BDBM8960
 ((+/-)-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 | PDB MMDB
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| PDB Article PubMed
| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanyang Normal University
Curated by ChEMBL
| Assay Description Inhibition of AChE in rat cortex homogenates using acetylthiocholine chloride as substrate measured after 15 mins by Ellman's method |
Eur J Med Chem 130: 379-392 (2017)
Article DOI: 10.1016/j.ejmech.2017.02.039 BindingDB Entry DOI: 10.7270/Q2F76FVX |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Acetylcholinesterase
(480/542 = 89%)† (Rattus norvegicus (rat)) | BDBM8960
 ((+/-)-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 | PDB MMDB
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| PDB Article PubMed
| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanyang Normal University
Curated by ChEMBL
| Assay Description Inhibition of 5% rat cortex homogenate AChE using acetylthiocholine chloride as substrate after 15 mins by Ellman's method |
Bioorg Med Chem 25: 3006-3017 (2017)
Article DOI: 10.1016/j.bmc.2017.03.070 BindingDB Entry DOI: 10.7270/Q2F76G04 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Cholinesterases
(542/542 = 100%)† (Homo sapiens (Human)) | BDBM8960
 ((+/-)-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 | PDB MMDB
NCI pathway Reactome pathway KEGG
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| DrugBank PDB Article PubMed
| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai University of Traditional Chinese Medicine
Curated by ChEMBL
| Assay Description Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate pretreated for 6 mins followed by substrate addition measured up to ... |
Eur J Med Chem 133: 184-196 (2017)
Article DOI: 10.1016/j.ejmech.2017.02.045 BindingDB Entry DOI: 10.7270/Q2FB55C0 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Acetylcholinesterase
(480/542 = 89%)† (Rattus norvegicus (rat)) | BDBM8960
 ((+/-)-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 | PDB MMDB
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| PDB Article PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Università di Bologna
Curated by ChEMBL
| Assay Description Inhibition of rat brain acetylcholine esterase in presence of acetylcholine substrate by chemiluminescent assay |
Eur J Med Chem 43: 657-61 (2008)
Checked by Author Article DOI: 10.1016/j.ejmech.2007.04.018 BindingDB Entry DOI: 10.7270/Q2TH8MG0 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Cholinesterases
(542/542 = 100%)† (Homo sapiens (Human)) | BDBM8960
 ((+/-)-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 | PDB MMDB
NCI pathway Reactome pathway KEGG
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| DrugBank PDB Article PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Università di Bologna
Curated by ChEMBL
| Assay Description Inhibitory concentration required against acetylcholinesterase activity |
J Med Chem 44: 4011-4 (2001)
Article DOI: 10.1021/jm0109356 BindingDB Entry DOI: 10.7270/Q298869Q |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Cholinesterases; ACHE & BCHE
(542/542 = 100%)† (Homo sapiens (Human)) | BDBM8960
 ((+/-)-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 | PDB MMDB
NCI pathway Reactome pathway KEGG
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| DrugBank PDB Article PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Waterloo
Curated by ChEMBL
| Assay Description Inhibition of human AChE using acetylthiocholine iodide as substrate treated 5 mins before substrate addition measured up to 4 mins by Ellman's metho... |
Bioorg Med Chem Lett 23: 4336-41 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.092 BindingDB Entry DOI: 10.7270/Q2JD50Q1 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Cholinesterases
(542/542 = 100%)† (Homo sapiens (Human)) | BDBM8960
 ((+/-)-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 | PDB MMDB
NCI pathway Reactome pathway KEGG
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| DrugBank PDB Article PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | 8.0 | 25 |
University of Waterloo
| Assay Description Test compounds were prepared in DMSO (maximum concentration used 1% v/v), and 10 μL of each (0.001-25 μm final concentration range) was inc... |
Chem Biol Drug Des 88: 710-723 (2016)
Article DOI: 10.1111/cbdd.12800 BindingDB Entry DOI: 10.7270/Q26D5RSX |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Cholinesterases; ACHE & BCHE
(542/542 = 100%)† (Homo sapiens (Human)) | BDBM8960
 ((+/-)-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 | PDB MMDB
NCI pathway Reactome pathway KEGG
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| DrugBank PDB Article PubMed
| n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
Jiangxi University of Traditional Chinese Medicine
Curated by ChEMBL
| Assay Description Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated for 6 mins followed by substrate addition measured up t... |
Eur J Med Chem 146: 287-298 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.055 BindingDB Entry DOI: 10.7270/Q2M61NST |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Cholinesterases; ACHE & BCHE
(542/542 = 100%)† (Homo sapiens (Human)) | BDBM8960
 ((+/-)-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 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| DrugBank PDB Article PubMed
| n/a | n/a | 48 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of human erythrocyte AChE using acetylthiocholine chloride as substrate incubated for 5 mins followed by substrate addition measured after... |
Eur J Med Chem 157: 161-176 (2018)
Article DOI: 10.1016/j.ejmech.2018.08.005 BindingDB Entry DOI: 10.7270/Q29P34C1 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Cholinesterases
(542/542 = 100%)† (Homo sapiens (Human)) | BDBM8960
 ((+/-)-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 | PDB MMDB
NCI pathway Reactome pathway KEGG
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| DrugBank PDB Article PubMed
| n/a | n/a | 48 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of human erythrocytes AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up ... |
Eur J Med Chem 123: 282-297 (2016)
Article DOI: 10.1016/j.ejmech.2016.07.052 BindingDB Entry DOI: 10.7270/Q2ZW1NW5 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Cholinesterases; ACHE & BCHE
(542/542 = 100%)† (Homo sapiens (Human)) | BDBM8960
 ((+/-)-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 | PDB MMDB
NCI pathway Reactome pathway KEGG
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| DrugBank PDB Article PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Central South University
Curated by ChEMBL
| Assay Description Inhibition of AChE (unknown origin) using acetylthiocholine as substrate by Ellman's method |
Bioorg Med Chem Lett 27: 4180-4184 (2017)
Article DOI: 10.1016/j.bmcl.2017.07.013 BindingDB Entry DOI: 10.7270/Q20P12G0 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Cholinesterases
(542/542 = 100%)† (Homo sapiens (Human)) | BDBM8960
 ((+/-)-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 | PDB MMDB
NCI pathway Reactome pathway KEGG
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| DrugBank PDB Article PubMed
| n/a | n/a | 62 | n/a | n/a | n/a | n/a | n/a | n/a |
Universiti Kebangsaan Malaysia
Curated by ChEMBL
| Assay Description Inhibition of AChE (unknown origin) after 5 mins by Ellman's method |
Eur J Med Chem 83: 355-65 (2014)
Article DOI: 10.1016/j.ejmech.2014.06.034 BindingDB Entry DOI: 10.7270/Q2862J10 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Cholinesterases
(542/542 = 100%)† (Homo sapiens (Human)) | BDBM8960
 ((+/-)-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 | PDB MMDB
NCI pathway Reactome pathway KEGG
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| DrugBank PDB Article PubMed
| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
Central Drug Research Institute
Curated by ChEMBL
| Assay Description Inhibition of human AChE by Ellmans test |
J Med Chem 53: 6490-505 (2010)
Article DOI: 10.1021/jm100573q BindingDB Entry DOI: 10.7270/Q23R0T3D |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Cholinesterases
(542/542 = 100%)† (Homo sapiens (Human)) | BDBM8960
 ((+/-)-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 | PDB MMDB
NCI pathway Reactome pathway KEGG
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| DrugBank PDB Article PubMed
| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Gujrat
Curated by ChEMBL
| Assay Description Inhibition of acetylcholinesterase (unknown origin) using acetylthiocholine iodide as substrate incubated for 10 mins followed by substrate addition ... |
Bioorg Med Chem 25: 100-106 (2017)
Article DOI: 10.1016/j.bmc.2016.10.016 BindingDB Entry DOI: 10.7270/Q2B85B3V |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Acetylcholinesterase
(480/542 = 89%)† (Mus musculus (mouse)) | BDBM8960
 ((+/-)-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 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
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| PDB US Patent
| n/a | n/a | 94 | n/a | n/a | n/a | n/a | n/a | n/a |
Zhejiang Hisun Pharmaceutical Co., Ltd
US Patent
| Assay Description Modified Ellman method (Alvin V. et al. JWS-USC-75-IX Improves Information Processing and Cognitive Function in Animal Models[J]. Journal of Pharmaco... |
US Patent US9346818 (2016)
BindingDB Entry DOI: 10.7270/Q2WD3ZFC |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Cholinesterases
(542/542 = 100%)† (Homo sapiens (Human)) | BDBM8960
 ((+/-)-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 | PDB MMDB
NCI pathway Reactome pathway KEGG
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| DrugBank PDB Article PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of human erythrocyte ACHE preincubated for 6 mins followed by addition of acetylcholine iodide as substrate by Ellman's method |
Bioorg Med Chem 24: 4324-4338 (2016)
Article DOI: 10.1016/j.bmc.2016.07.025 BindingDB Entry DOI: 10.7270/Q2DV1MV0 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Cholinesterases
(542/542 = 100%)† (Homo sapiens (Human)) | BDBM8960
 ((+/-)-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 | PDB MMDB
NCI pathway Reactome pathway KEGG
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| DrugBank PDB Article PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Universiti Sains Malaysia
Curated by ChEMBL
| Assay Description Inhibition of human acetyl cholinesterase by Ellmann's method |
Bioorg Med Chem Lett 20: 7064-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.108 BindingDB Entry DOI: 10.7270/Q2Q2417W |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Cholinesterases
(542/542 = 100%)† (Homo sapiens (Human)) | BDBM8960
 ((+/-)-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 | PDB MMDB
NCI pathway Reactome pathway KEGG
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| DrugBank PDB Article PubMed
| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development LLC
Curated by ChEMBL
| Assay Description Inhibition of AChE |
Bioorg Med Chem 16: 2968-73 (2008)
Article DOI: 10.1016/j.bmc.2007.12.048 BindingDB Entry DOI: 10.7270/Q27S7PMQ |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Cholinesterases; ACHE & BCHE
(542/542 = 100%)† (Homo sapiens (Human)) | BDBM8960
 ((+/-)-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 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
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CHEBI CHEMBL DrugBank PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB Article PubMed
| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of human erythrocytic AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up ... |
Eur J Med Chem 139: 68-83 (2017)
Article DOI: 10.1016/j.ejmech.2017.07.077 BindingDB Entry DOI: 10.7270/Q2Q52S78 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Cholinesterases
(542/542 = 100%)† (Homo sapiens (Human)) | BDBM8960
 ((+/-)-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 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
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CHEBI CHEMBL DrugBank PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB Article PubMed
| n/a | n/a | 4.15E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Genova
Curated by ChEMBL
| Assay Description Inhibition of human plasma BChE |
Eur J Med Chem 46: 2170-84 (2011)
Article DOI: 10.1016/j.ejmech.2011.02.071 BindingDB Entry DOI: 10.7270/Q2BK1CPG |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Cholinesterases
(542/542 = 100%)† (Homo sapiens (Human)) | BDBM8960
 ((+/-)-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 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
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CHEBI CHEMBL DrugBank PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB Article PubMed
| n/a | n/a | 4.15E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Genova
Curated by ChEMBL
| Assay Description Inhibition of human erythrocytes BChE |
Eur J Med Chem 46: 2170-84 (2011)
Article DOI: 10.1016/j.ejmech.2011.02.071 BindingDB Entry DOI: 10.7270/Q2BK1CPG |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Acetylcholinesterase
(480/542 = 89%)† (Mus musculus (mouse)) | BDBM8960
 ((+/-)-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 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar
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CHEBI CHEMBL DrugBank PC cid PC sid PDB UniChem
Patents
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| PDB Article PubMed
| n/a | n/a | 1.46E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Panjab University
Curated by ChEMBL
| Assay Description Inhibition of AchE in albino LACA mouse brain using acetylthiocholine iodide as substrate incubated for 10 mins measured for 2 mins by Ellman's metho... |
Bioorg Med Chem 26: 215-224 (2018)
Article DOI: 10.1016/j.bmc.2017.11.033 BindingDB Entry DOI: 10.7270/Q2JQ13MH |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Cholinesterases
(542/542 = 100%)† (Homo sapiens (Human)) | BDBM8960
 ((+/-)-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 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
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CHEBI CHEMBL DrugBank PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB Article PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bologna
Curated by ChEMBL
| Assay Description Inhibition of AChE |
J Med Chem 53: 5906-14 (2010)
Article DOI: 10.1021/jm100293f BindingDB Entry DOI: 10.7270/Q2B56JXF |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Cholinesterases
(542/542 = 100%)† (Homo sapiens (Human)) | BDBM8960
 ((+/-)-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 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
| Purchase
CHEBI CHEMBL DrugBank PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB Article PubMed
| n/a | n/a | n/a | n/a | 43 | n/a | n/a | n/a | n/a |
Organon Laboratories Ltd
Curated by ChEMBL
| Assay Description In vitro reversal of vecuronium-induced neuromuscular block in guinea pig hemi-diaphragm. |
Bioorg Med Chem Lett 12: 2565-8 (2002)
Article DOI: 10.1016/s0960-894x(02)00482-1 BindingDB Entry DOI: 10.7270/Q2CZ37Q4 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |