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Compile Data Set for Download or QSAR

Found 45 hits Enz. Inhib. hit(s) with all data for entry = 50036380   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Acetylcholinesterase


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



Eisai Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against acetylcholinesterase


J Med Chem 38: 4821-9 (1996)


BindingDB Entry DOI: 10.7270/Q2QC045T
More data for this
Ligand-Target Pair
Acetylcholinesterase


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



Eisai Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against acetylcholinesterase


J Med Chem 38: 4821-9 (1996)


BindingDB Entry DOI: 10.7270/Q2QC045T
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM50004016
PNG
(CHEMBL138107 | CHEMBL544159 | N-(2-(2-(1-benzylpip...)
Show SMILES O=C(Nc1ccc2C(=O)N(CCC3CCN(Cc4ccccc4)CC3)C(=O)c2c1)c1ccccc1
Show InChI InChI=1S/C29H29N3O3/c33-27(23-9-5-2-6-10-23)30-24-11-12-25-26(19-24)29(35)32(28(25)34)18-15-21-13-16-31(17-14-21)20-22-7-3-1-4-8-22/h1-12,19,21H,13-18,20H2,(H,30,33)
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n/an/a 1.20n/an/an/an/an/an/a



Eisai Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against acetylcholinesterase


J Med Chem 38: 4821-9 (1996)


BindingDB Entry DOI: 10.7270/Q2QC045T
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM50029933
PNG
(2-[3-(1-Benzyl-piperidin-4-yl)-propyl]-5,6-dimetho...)
Show SMILES COc1cc2CC(CCCC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C26H33NO3/c1-29-24-16-22-15-21(26(28)23(22)17-25(24)30-2)10-6-9-19-11-13-27(14-12-19)18-20-7-4-3-5-8-20/h3-5,7-8,16-17,19,21H,6,9-15,18H2,1-2H3
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n/an/a 1.5n/an/an/an/an/an/a



Eisai Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against acetylcholinesterase


J Med Chem 38: 4821-9 (1996)


BindingDB Entry DOI: 10.7270/Q2QC045T
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM50029944
PNG
(5,6-Dimethoxy-2-[1-(3-methyl-benzyl)-piperidin-4-y...)
Show SMILES COc1cc2CC(CC3CCN(Cc4cccc(C)c4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C25H31NO3/c1-17-5-4-6-19(11-17)16-26-9-7-18(8-10-26)12-21-13-20-14-23(28-2)24(29-3)15-22(20)25(21)27/h4-6,11,14-15,18,21H,7-10,12-13,16H2,1-3H3
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n/an/a 2n/an/an/an/an/an/a



Eisai Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against acetylcholinesterase


J Med Chem 38: 4821-9 (1996)


BindingDB Entry DOI: 10.7270/Q2QC045T
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM50029932
PNG
(5,6-Dimethoxy-2-[1-(3-nitro-benzyl)-piperidin-4-yl...)
Show SMILES COc1cc2CC(CC3CCN(Cc4cccc(c4)[N+]([O-])=O)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H28N2O5/c1-30-22-13-18-12-19(24(27)21(18)14-23(22)31-2)10-16-6-8-25(9-7-16)15-17-4-3-5-20(11-17)26(28)29/h3-5,11,13-14,16,19H,6-10,12,15H2,1-2H3
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n/an/a 4n/an/an/an/an/an/a



Eisai Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against acetylcholinesterase


J Med Chem 38: 4821-9 (1996)


BindingDB Entry DOI: 10.7270/Q2QC045T
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM8960
PNG
((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3
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n/an/a 5.70n/an/an/an/an/an/a



Eisai Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against acetylcholinesterase


J Med Chem 38: 4821-9 (1996)


BindingDB Entry DOI: 10.7270/Q2QC045T
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Acetylcholinesterase


(Mus musculus (mouse))
BDBM50029913
PNG
(2-(1-Benzyl-piperidin-4-ylmethyl)-5-methoxy-indan-...)
Show SMILES COc1ccc2C(=O)C(CC3CCN(Cc4ccccc4)CC3)Cc2c1
Show InChI InChI=1S/C23H27NO2/c1-26-21-7-8-22-19(15-21)14-20(23(22)25)13-17-9-11-24(12-10-17)16-18-5-3-2-4-6-18/h2-8,15,17,20H,9-14,16H2,1H3
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n/an/a 6.40n/an/an/an/an/an/a



Eisai Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against acetylcholinesterase


J Med Chem 38: 4821-9 (1996)


BindingDB Entry DOI: 10.7270/Q2QC045T
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Rattus norvegicus (rat))
BDBM50004000
PNG
((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...)
Show SMILES CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1 |r|
Show InChI InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15+/m1/s1
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n/an/a 8.10n/an/an/an/an/an/a



Eisai Company, Ltd.

Curated by ChEMBL


Assay Description
Butyrylcholinesterase


J Med Chem 38: 4821-9 (1996)


BindingDB Entry DOI: 10.7270/Q2QC045T
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM50029946
PNG
(2-(1-Cyclohexylmethyl-piperidin-4-ylmethyl)-5,6-di...)
Show SMILES COc1cc2CC(CC3CCN(CC4CCCCC4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H35NO3/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/h14-15,17-18,20H,3-13,16H2,1-2H3
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n/an/a 8.90n/an/an/an/an/an/a



Eisai Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against acetylcholinesterase


J Med Chem 38: 4821-9 (1996)


BindingDB Entry DOI: 10.7270/Q2QC045T
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM50029945
PNG
(5,6-Dimethoxy-2-[1-(2-methyl-benzyl)-piperidin-4-y...)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4C)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C25H31NO3/c1-17-6-4-5-7-19(17)16-26-10-8-18(9-11-26)12-21-13-20-14-23(28-2)24(29-3)15-22(20)25(21)27/h4-7,14-15,18,21H,8-13,16H2,1-3H3
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n/an/a 10n/an/an/an/an/an/a



Eisai Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against acetylcholinesterase


J Med Chem 38: 4821-9 (1996)


BindingDB Entry DOI: 10.7270/Q2QC045T
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM50029925
PNG
(2-(1-Benzyl-piperidin-4-ylmethyl)-4-methoxy-indan-...)
Show SMILES COc1cccc2C(=O)C(CC3CCN(Cc4ccccc4)CC3)Cc12
Show InChI InChI=1S/C23H27NO2/c1-26-22-9-5-8-20-21(22)15-19(23(20)25)14-17-10-12-24(13-11-17)16-18-6-3-2-4-7-18/h2-9,17,19H,10-16H2,1H3
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n/an/a 12n/an/an/an/an/an/a



Eisai Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against acetylcholinesterase


J Med Chem 38: 4821-9 (1996)


BindingDB Entry DOI: 10.7270/Q2QC045T
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM50029915
PNG
(2-(1-Benzyl-piperidin-4-ylmethyl)-5,6,7-trimethoxy...)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2c(OC)c1OC
Show InChI InChI=1S/C25H31NO4/c1-28-21-15-19-14-20(23(27)22(19)25(30-3)24(21)29-2)13-17-9-11-26(12-10-17)16-18-7-5-4-6-8-18/h4-8,15,17,20H,9-14,16H2,1-3H3
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n/an/a 13n/an/an/an/an/an/a



Eisai Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against acetylcholinesterase


J Med Chem 38: 4821-9 (1996)


BindingDB Entry DOI: 10.7270/Q2QC045T
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM50029927
PNG
(2-[1-(1-Benzyl-piperidin-4-yl)-meth-(Z)-ylidene]-5...)
Show SMILES COc1cc2C\C(=C\C3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H27NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,12,14-15,17H,8-11,13,16H2,1-2H3/b20-12-
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n/an/a 13n/an/an/an/an/an/a



Eisai Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against acetylcholinesterase


J Med Chem 38: 4821-9 (1996)


BindingDB Entry DOI: 10.7270/Q2QC045T
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM50029939
PNG
(2-[5-(1-Benzyl-piperidin-4-yl)-pentyl]-5,6-dimetho...)
Show SMILES COc1cc2CC(CCCCCC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C28H37NO3/c1-31-26-18-24-17-23(28(30)25(24)19-27(26)32-2)12-8-4-5-9-21-13-15-29(16-14-21)20-22-10-6-3-7-11-22/h3,6-7,10-11,18-19,21,23H,4-5,8-9,12-17,20H2,1-2H3
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n/an/a 14n/an/an/an/an/an/a



Eisai Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against acetylcholinesterase


J Med Chem 38: 4821-9 (1996)


BindingDB Entry DOI: 10.7270/Q2QC045T
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM50029936
PNG
(2-(1-Benzyl-piperidin-4-ylmethyl)-4,5-dimethoxy-in...)
Show SMILES COc1ccc2C(=O)C(CC3CCN(Cc4ccccc4)CC3)Cc2c1OC
Show InChI InChI=1S/C24H29NO3/c1-27-22-9-8-20-21(24(22)28-2)15-19(23(20)26)14-17-10-12-25(13-11-17)16-18-6-4-3-5-7-18/h3-9,17,19H,10-16H2,1-2H3
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n/an/a 20n/an/an/an/an/an/a



Eisai Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against acetylcholinesterase


J Med Chem 38: 4821-9 (1996)


BindingDB Entry DOI: 10.7270/Q2QC045T
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM50029917
PNG
(2-(1-Benzyl-piperidin-4-ylmethyl)-5,7-dimethoxy-in...)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2c(OC)c1
Show InChI InChI=1S/C24H29NO3/c1-27-21-14-19-13-20(24(26)23(19)22(15-21)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3
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n/an/a 25n/an/an/an/an/an/a



Eisai Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against acetylcholinesterase


J Med Chem 38: 4821-9 (1996)


BindingDB Entry DOI: 10.7270/Q2QC045T
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM50004020
PNG
(2-(2-(1-benzylpiperidin-4-yl)ethyl)isoindoline-1,3...)
Show SMILES O=C1N(CCC2CCN(Cc3ccccc3)CC2)C(=O)c2ccccc12
Show InChI InChI=1S/C22H24N2O2/c25-21-19-8-4-5-9-20(19)22(26)24(21)15-12-17-10-13-23(14-11-17)16-18-6-2-1-3-7-18/h1-9,17H,10-16H2
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n/an/a 30n/an/an/an/an/an/a



Eisai Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against acetylcholinesterase


J Med Chem 38: 4821-9 (1996)


BindingDB Entry DOI: 10.7270/Q2QC045T
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM50029941
PNG
(2-[2-(1-Benzyl-piperidin-4-yl)-ethyl]-5,6-dimethox...)
Show SMILES COc1cc2CC(CCC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C25H31NO3/c1-28-23-15-21-14-20(25(27)22(21)16-24(23)29-2)9-8-18-10-12-26(13-11-18)17-19-6-4-3-5-7-19/h3-7,15-16,18,20H,8-14,17H2,1-2H3
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n/an/a 30n/an/an/an/an/an/a



Eisai Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against acetylcholinesterase


J Med Chem 38: 4821-9 (1996)


BindingDB Entry DOI: 10.7270/Q2QC045T
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM9408
PNG
((2E)-but-2-enedioic acid; N-[2-(1-benzylpiperidin-...)
Show SMILES O=C(N(CCC1CCN(Cc2ccccc2)CC1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H30N2O/c30-27(25-12-6-2-7-13-25)29(26-14-8-3-9-15-26)21-18-23-16-19-28(20-17-23)22-24-10-4-1-5-11-24/h1-15,23H,16-22H2
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n/an/a 35n/an/an/an/an/an/a



Eisai Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against acetylcholinesterase


J Med Chem 38: 4821-9 (1996)


BindingDB Entry DOI: 10.7270/Q2QC045T
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM50029943
PNG
(2-[4-(1-Benzyl-piperidin-4-yl)-butyl]-5,6-dimethox...)
Show SMILES COc1cc2CC(CCCCC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C27H35NO3/c1-30-25-17-23-16-22(27(29)24(23)18-26(25)31-2)11-7-6-8-20-12-14-28(15-13-20)19-21-9-4-3-5-10-21/h3-5,9-10,17-18,20,22H,6-8,11-16,19H2,1-2H3
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n/an/a 35n/an/an/an/an/an/a



Eisai Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against acetylcholinesterase


J Med Chem 38: 4821-9 (1996)


BindingDB Entry DOI: 10.7270/Q2QC045T
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM50029942
PNG
(2-(1-Benzyl-piperidin-4-ylmethyl)-4,7-dimethoxy-in...)
Show SMILES COc1ccc(OC)c2C(=O)C(CC3CCN(Cc4ccccc4)CC3)Cc12
Show InChI InChI=1S/C24H29NO3/c1-27-21-8-9-22(28-2)23-20(21)15-19(24(23)26)14-17-10-12-25(13-11-17)16-18-6-4-3-5-7-18/h3-9,17,19H,10-16H2,1-2H3
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n/an/a 36n/an/an/an/an/an/a



Eisai Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against acetylcholinesterase


J Med Chem 38: 4821-9 (1996)


BindingDB Entry DOI: 10.7270/Q2QC045T
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM50029937
PNG
(5,6-Dimethoxy-2-[1-(4-methyl-benzyl)-piperidin-4-y...)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccc(C)cc4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C25H31NO3/c1-17-4-6-19(7-5-17)16-26-10-8-18(9-11-26)12-21-13-20-14-23(28-2)24(29-3)15-22(20)25(21)27/h4-7,14-15,18,21H,8-13,16H2,1-3H3
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n/an/a 40n/an/an/an/an/an/a



Eisai Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against acetylcholinesterase


J Med Chem 38: 4821-9 (1996)


BindingDB Entry DOI: 10.7270/Q2QC045T
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Rattus norvegicus (rat))
BDBM8961
PNG
(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)
Show SMILES Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)
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n/an/a 73n/an/an/an/an/an/a



Eisai Company, Ltd.

Curated by ChEMBL


Assay Description
Butyrylcholinesterase


J Med Chem 38: 4821-9 (1996)


BindingDB Entry DOI: 10.7270/Q2QC045T
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM8961
PNG
(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)
Show SMILES Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)
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n/an/a 80n/an/an/an/an/an/a



Eisai Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against acetylcholinesterase


J Med Chem 38: 4821-9 (1996)


BindingDB Entry DOI: 10.7270/Q2QC045T
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Acetylcholinesterase


(Mus musculus (mouse))
BDBM50029914
PNG
(2-(1-Benzyl-piperidin-4-ylmethyl)-6-methoxy-indan-...)
Show SMILES COc1ccc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2c1
Show InChI InChI=1S/C23H27NO2/c1-26-21-8-7-19-14-20(23(25)22(19)15-21)13-17-9-11-24(12-10-17)16-18-5-3-2-4-6-18/h2-8,15,17,20H,9-14,16H2,1H3
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n/an/a 81n/an/an/an/an/an/a



Eisai Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against acetylcholinesterase


J Med Chem 38: 4821-9 (1996)


BindingDB Entry DOI: 10.7270/Q2QC045T
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM50029926
PNG
(2-(1-Benzyl-piperidin-4-ylmethyl)-6,7-dimethoxy-in...)
Show SMILES COc1ccc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2c1OC
Show InChI InChI=1S/C24H29NO3/c1-27-21-9-8-19-15-20(23(26)22(19)24(21)28-2)14-17-10-12-25(13-11-17)16-18-6-4-3-5-7-18/h3-9,17,20H,10-16H2,1-2H3
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n/an/a 85n/an/an/an/an/an/a



Eisai Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against acetylcholinesterase


J Med Chem 38: 4821-9 (1996)


BindingDB Entry DOI: 10.7270/Q2QC045T
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM50029947
PNG
(2-(4-Benzyl-piperazin-1-ylmethyl)-5,6-dimethoxy-in...)
Show SMILES COc1cc2CC(CN3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C23H28N2O3/c1-27-21-13-18-12-19(23(26)20(18)14-22(21)28-2)16-25-10-8-24(9-11-25)15-17-6-4-3-5-7-17/h3-7,13-14,19H,8-12,15-16H2,1-2H3
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n/an/a 94n/an/an/an/an/an/a



Eisai Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against acetylcholinesterase


J Med Chem 38: 4821-9 (1996)


BindingDB Entry DOI: 10.7270/Q2QC045T
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM50004022
PNG
(2-(2-(1-benzylpiperidin-4-yl)ethyl)isoindolin-1-on...)
Show SMILES O=C1N(CCC2CCN(Cc3ccccc3)CC2)Cc2ccccc12
Show InChI InChI=1S/C22H26N2O/c25-22-21-9-5-4-8-20(21)17-24(22)15-12-18-10-13-23(14-11-18)16-19-6-2-1-3-7-19/h1-9,18H,10-17H2
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n/an/a 98n/an/an/an/an/an/a



Eisai Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against acetylcholinesterase


J Med Chem 38: 4821-9 (1996)


BindingDB Entry DOI: 10.7270/Q2QC045T
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM50029934
PNG
(5,6-Dimethoxy-2-[1-(4-nitro-benzyl)-piperidin-4-yl...)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccc(cc4)[N+]([O-])=O)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H28N2O5/c1-30-22-13-18-12-19(24(27)21(18)14-23(22)31-2)11-16-7-9-25(10-8-16)15-17-3-5-20(6-4-17)26(28)29/h3-6,13-14,16,19H,7-12,15H2,1-2H3
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n/an/a 100n/an/an/an/an/an/a



Eisai Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against acetylcholinesterase


J Med Chem 38: 4821-9 (1996)


BindingDB Entry DOI: 10.7270/Q2QC045T
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM50029938
PNG
(2-(1-Benzyl-piperidin-4-ylmethyl)-indan-1-one; hyd...)
Show SMILES O=C1C(CC2CCN(Cc3ccccc3)CC2)Cc2ccccc12
Show InChI InChI=1S/C22H25NO/c24-22-20(15-19-8-4-5-9-21(19)22)14-17-10-12-23(13-11-17)16-18-6-2-1-3-7-18/h1-9,17,20H,10-16H2
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n/an/a 150n/an/an/an/an/an/a



Eisai Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against acetylcholinesterase


J Med Chem 38: 4821-9 (1996)


BindingDB Entry DOI: 10.7270/Q2QC045T
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM50029921
PNG
(5,6-Dimethoxy-2-[1-(2-nitro-benzyl)-piperidin-4-yl...)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4[N+]([O-])=O)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H28N2O5/c1-30-22-13-18-12-19(24(27)20(18)14-23(22)31-2)11-16-7-9-25(10-8-16)15-17-5-3-4-6-21(17)26(28)29/h3-6,13-14,16,19H,7-12,15H2,1-2H3
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n/an/a 160n/an/an/an/an/an/a



Eisai Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against acetylcholinesterase


J Med Chem 38: 4821-9 (1996)


BindingDB Entry DOI: 10.7270/Q2QC045T
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM9405
PNG
(CHEMBL56470 | N-[2-(1-Benzyl-piperidin-4-yl)-ethyl...)
Show SMILES CN(CCC1CCN(Cc2ccccc2)CC1)C(=O)c1ccccc1
Show InChI InChI=1S/C22H28N2O/c1-23(22(25)21-10-6-3-7-11-21)15-12-19-13-16-24(17-14-19)18-20-8-4-2-5-9-20/h2-11,19H,12-18H2,1H3
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n/an/a 170n/an/an/an/an/an/a



Eisai Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against acetylcholinesterase


J Med Chem 38: 4821-9 (1996)


BindingDB Entry DOI: 10.7270/Q2QC045T
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM50029916
PNG
(5,6-Dimethoxy-2-(1-phenethyl-piperidin-4-ylmethyl)...)
Show SMILES COc1cc2CC(CC3CCN(CCc4ccccc4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C25H31NO3/c1-28-23-16-20-15-21(25(27)22(20)17-24(23)29-2)14-19-9-12-26(13-10-19)11-8-18-6-4-3-5-7-18/h3-7,16-17,19,21H,8-15H2,1-2H3
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n/an/a 180n/an/an/an/an/an/a



Eisai Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against acetylcholinesterase


J Med Chem 38: 4821-9 (1996)


BindingDB Entry DOI: 10.7270/Q2QC045T
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM50029919
PNG
(2-[2-(1-Benzyl-piperidin-4-yl)-ethyl]-indan-1-one;...)
Show SMILES O=C1C(CCC2CCN(Cc3ccccc3)CC2)Cc2ccccc12
Show InChI InChI=1S/C23H27NO/c25-23-21(16-20-8-4-5-9-22(20)23)11-10-18-12-14-24(15-13-18)17-19-6-2-1-3-7-19/h1-9,18,21H,10-17H2
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n/an/a 230n/an/an/an/an/an/a



Eisai Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against acetylcholinesterase


J Med Chem 38: 4821-9 (1996)


BindingDB Entry DOI: 10.7270/Q2QC045T
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM50029930
PNG
(2-(1-Benzyl-piperidin-4-ylmethyl)-5,6-dimethoxy-in...)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(O)c2cc1OC
Show InChI InChI=1S/C24H31NO3/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/h3-7,14-15,17,20,24,26H,8-13,16H2,1-2H3
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n/an/a 300n/an/an/an/an/an/a



Eisai Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against acetylcholinesterase


J Med Chem 38: 4821-9 (1996)


BindingDB Entry DOI: 10.7270/Q2QC045T
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM50029940
PNG
(2-(4-Benzyl-piperidin-1-ylmethyl)-5,6-dimethoxy-in...)
Show SMILES COc1cc2CC(CN3CCC(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)16-25-10-8-18(9-11-25)12-17-6-4-3-5-7-17/h3-7,14-15,18,20H,8-13,16H2,1-2H3
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n/an/a 480n/an/an/an/an/an/a



Eisai Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against acetylcholinesterase


J Med Chem 38: 4821-9 (1996)


BindingDB Entry DOI: 10.7270/Q2QC045T
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM9385
PNG
(1-Benzyl-4-[2-(N-benzoylamino)ethyl]piperidine Hyd...)
Show SMILES O=C(NCCC1CCN(Cc2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C21H26N2O/c24-21(20-9-5-2-6-10-20)22-14-11-18-12-15-23(16-13-18)17-19-7-3-1-4-8-19/h1-10,18H,11-17H2,(H,22,24)
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n/an/a 560n/an/an/an/an/an/a



Eisai Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against acetylcholinesterase


J Med Chem 38: 4821-9 (1996)


BindingDB Entry DOI: 10.7270/Q2QC045T
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM50029931
PNG
(2-(1-Benzyl-piperidin-4-ylmethyl)-3,4-dihydro-2H-n...)
Show SMILES O=C1C(CC2CCN(Cc3ccccc3)CC2)CCc2ccccc12
Show InChI InChI=1S/C23H27NO/c25-23-21(11-10-20-8-4-5-9-22(20)23)16-18-12-14-24(15-13-18)17-19-6-2-1-3-7-19/h1-9,18,21H,10-17H2
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n/an/a 2.10E+3n/an/an/an/an/an/a



Eisai Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against acetylcholinesterase


J Med Chem 38: 4821-9 (1996)


BindingDB Entry DOI: 10.7270/Q2QC045T
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM50029912
PNG
(2-(1-Benzyl-piperidin-4-yl)-5,6-dimethoxy-indan-1-...)
Show SMILES COc1cc2CC(C3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C23H27NO3/c1-26-21-13-18-12-19(23(25)20(18)14-22(21)27-2)17-8-10-24(11-9-17)15-16-6-4-3-5-7-16/h3-7,13-14,17,19H,8-12,15H2,1-2H3
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n/an/a 3.30E+3n/an/an/an/an/an/a



Eisai Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against acetylcholinesterase


J Med Chem 38: 4821-9 (1996)


BindingDB Entry DOI: 10.7270/Q2QC045T
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM50029948
PNG
(1-Benzyl-4-(5,6-dimethoxy-1H-inden-2-ylmethyl)-pip...)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)=Cc2cc1OC |c:22|
Show InChI InChI=1S/C24H29NO2/c1-26-23-15-21-13-20(14-22(21)16-24(23)27-2)12-18-8-10-25(11-9-18)17-19-6-4-3-5-7-19/h3-7,13,15-16,18H,8-12,14,17H2,1-2H3
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n/an/a 4.40E+3n/an/an/an/an/an/a



Eisai Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against acetylcholinesterase


J Med Chem 38: 4821-9 (1996)


BindingDB Entry DOI: 10.7270/Q2QC045T
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM50029949
PNG
(5,6-Dimethoxy-2-piperidin-4-ylmethyl-indan-1-one; ...)
Show SMILES COc1cc2CC(CC3CCNCC3)C(=O)c2cc1OC
Show InChI InChI=1S/C17H23NO3/c1-20-15-9-12-8-13(7-11-3-5-18-6-4-11)17(19)14(12)10-16(15)21-2/h9-11,13,18H,3-8H2,1-2H3
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n/an/a 5.40E+3n/an/an/an/an/an/a



Eisai Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against acetylcholinesterase


J Med Chem 38: 4821-9 (1996)


BindingDB Entry DOI: 10.7270/Q2QC045T
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Rattus norvegicus (rat))
BDBM8960
PNG
((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3
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n/an/a 7.14E+3n/an/an/an/an/an/a



Eisai Company, Ltd.

Curated by ChEMBL


Assay Description
Butyrylcholinesterase


J Med Chem 38: 4821-9 (1996)


BindingDB Entry DOI: 10.7270/Q2QC045T
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM50029922
PNG
(2-(1-Benzoyl-piperidin-4-ylmethyl)-5,6-dimethoxy-i...)
Show SMILES COc1cc2CC(CC3CCN(CC3)C(=O)c3ccccc3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H27NO4/c1-28-21-14-18-13-19(23(26)20(18)15-22(21)29-2)12-16-8-10-25(11-9-16)24(27)17-6-4-3-5-7-17/h3-7,14-16,19H,8-13H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Eisai Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against acetylcholinesterase


J Med Chem 38: 4821-9 (1996)


BindingDB Entry DOI: 10.7270/Q2QC045T
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM50029935
PNG
(6-(1-Benzyl-piperidin-4-ylmethyl)-6,7,8,9-tetrahyd...)
Show SMILES O=C1C(CC2CCN(Cc3ccccc3)CC2)CCCc2ccccc12
Show InChI InChI=1S/C24H29NO/c26-24-22(11-6-10-21-9-4-5-12-23(21)24)17-19-13-15-25(16-14-19)18-20-7-2-1-3-8-20/h1-5,7-9,12,19,22H,6,10-11,13-18H2
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n/an/a 1.50E+4n/an/an/an/an/an/a



Eisai Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against acetylcholinesterase


J Med Chem 38: 4821-9 (1996)


BindingDB Entry DOI: 10.7270/Q2QC045T
More data for this
Ligand-Target Pair