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PubMed code 7636858

Compile data set for download or QSAR
Found 25 hits of Enzyme Inhibition Constant Data   
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


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



Centre de Recherche Pierre Fabre

Curated by ChEMBL


Assay Description
In vitro inhibitory effect on rat Acetylcholinesterase


J Med Chem 38: 2969-73 (1995)


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


(Rattus norvegicus (rat))
BDBM50032395
PNG
(1-{2-[2-(Benzyl-methyl-amino)-ethoxy]-ethyl}-3-(9,...)
Show SMILES CN(CCOCCNC(=S)NC(=O)c1ccc2c(O)c3ccccc3c(O)c2c1)Cc1ccccc1
Show InChI InChI=1S/C28H29N3O4S/c1-31(18-19-7-3-2-4-8-19)14-16-35-15-13-29-28(36)30-27(34)20-11-12-23-24(17-20)26(33)22-10-6-5-9-21(22)25(23)32/h2-12,17,32-33H,13-16,18H2,1H3,(H2,29,30,34,36)
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n/an/a 6n/an/an/an/an/an/a



Centre de Recherche Pierre Fabre

Curated by ChEMBL


Assay Description
In vitro inhibitory effect on rat Acetylcholinesterase


J Med Chem 38: 2969-73 (1995)


BindingDB Entry DOI: 10.7270/Q22B8X2S
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50032384
PNG
(1-Benzoyl-3-{2-[2-(cyclohexyl-methyl-amino)-ethoxy...)
Show SMILES CN(CCOCCNC(=S)NC(=O)c1ccccc1)C1CCCCC1
Show InChI InChI=1S/C19H29N3O2S/c1-22(17-10-6-3-7-11-17)13-15-24-14-12-20-19(25)21-18(23)16-8-4-2-5-9-16/h2,4-5,8-9,17H,3,6-7,10-15H2,1H3,(H2,20,21,23,25)
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n/an/a 13n/an/an/an/an/an/a



Centre de Recherche Pierre Fabre

Curated by ChEMBL


Assay Description
In vitro inhibitory effect on rat Acetylcholinesterase


J Med Chem 38: 2969-73 (1995)


BindingDB Entry DOI: 10.7270/Q22B8X2S
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50032391
PNG
(1-Benzoyl-3-[2-(1-benzyl-piperidin-4-yl)-ethyl]-th...)
Show SMILES O=C(NC(=S)NCCC1CCN(Cc2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C22H27N3OS/c26-21(20-9-5-2-6-10-20)24-22(27)23-14-11-18-12-15-25(16-13-18)17-19-7-3-1-4-8-19/h1-10,18H,11-17H2,(H2,23,24,26,27)
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n/an/a 13n/an/an/an/an/an/a



Centre de Recherche Pierre Fabre

Curated by ChEMBL


Assay Description
In vitro inhibitory effect on rat Acetylcholinesterase


J Med Chem 38: 2969-73 (1995)


BindingDB Entry DOI: 10.7270/Q22B8X2S
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50032390
PNG
(1-{2-[2-(Benzyl-methyl-amino)-ethoxy]-ethyl}-3-(3-...)
Show SMILES CN(CCOCCNC([S-])=[NH+]C(=O)c1cccc(c1)[N+]([O-])=O)Cc1ccccc1 |w:10.10|
Show InChI InChI=1S/C20H24N4O4S/c1-23(15-16-6-3-2-4-7-16)11-13-28-12-10-21-20(29)22-19(25)17-8-5-9-18(14-17)24(26)27/h2-9,14H,10-13,15H2,1H3,(H2,21,22,25,29)
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n/an/a 15n/an/an/an/an/an/a



Centre de Recherche Pierre Fabre

Curated by ChEMBL


Assay Description
In vitro inhibitory effect on rat Acetylcholinesterase


J Med Chem 38: 2969-73 (1995)


BindingDB Entry DOI: 10.7270/Q22B8X2S
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50032398
PNG
(1-{2-[2-(Benzyl-methyl-amino)-ethoxy]-ethyl}-3-(4-...)
Show SMILES COc1ccc(cc1)C(=O)NC(=S)NCCOCCN(C)Cc1ccccc1
Show InChI InChI=1S/C21H27N3O3S/c1-24(16-17-6-4-3-5-7-17)13-15-27-14-12-22-21(28)23-20(25)18-8-10-19(26-2)11-9-18/h3-11H,12-16H2,1-2H3,(H2,22,23,25,28)
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n/an/a 26n/an/an/an/an/an/a



Centre de Recherche Pierre Fabre

Curated by ChEMBL


Assay Description
In vitro inhibitory effect on rat Acetylcholinesterase


J Med Chem 38: 2969-73 (1995)


BindingDB Entry DOI: 10.7270/Q22B8X2S
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50032394
PNG
(1-{2-[2-(Benzyl-methyl-amino)-ethoxy]-ethyl}-3-(9-...)
Show SMILES CN(CCOCCNC(=S)NC(=O)c1ccc2C(=O)c3ccccc3-c2c1)Cc1ccccc1
Show InChI InChI=1S/C27H27N3O3S/c1-30(18-19-7-3-2-4-8-19)14-16-33-15-13-28-27(34)29-26(32)20-11-12-23-24(17-20)21-9-5-6-10-22(21)25(23)31/h2-12,17H,13-16,18H2,1H3,(H2,28,29,32,34)
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n/an/a 30n/an/an/an/an/an/a



Centre de Recherche Pierre Fabre

Curated by ChEMBL


Assay Description
In vitro inhibitory effect on rat Acetylcholinesterase


J Med Chem 38: 2969-73 (1995)


BindingDB Entry DOI: 10.7270/Q22B8X2S
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50032393
PNG
(1-{2-[2-(Benzyl-methyl-amino)-ethoxy]-ethyl}-3-(4-...)
Show SMILES CN(CCOCCNC(=S)NC(=O)c1ccc(Cl)cc1)Cc1ccccc1
Show InChI InChI=1S/C20H24ClN3O2S/c1-24(15-16-5-3-2-4-6-16)12-14-26-13-11-22-20(27)23-19(25)17-7-9-18(21)10-8-17/h2-10H,11-15H2,1H3,(H2,22,23,25,27)
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n/an/a 30n/an/an/an/an/an/a



Centre de Recherche Pierre Fabre

Curated by ChEMBL


Assay Description
In vitro inhibitory effect on rat Acetylcholinesterase


J Med Chem 38: 2969-73 (1995)


BindingDB Entry DOI: 10.7270/Q22B8X2S
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50032382
PNG
(1-{2-[2-(Benzyl-methyl-amino)-ethoxy]-ethyl}-3-(3,...)
Show SMILES CN(CCOCCNC(=S)NC(=O)c1ccc(Cl)c(Cl)c1)Cc1ccccc1
Show InChI InChI=1S/C20H23Cl2N3O2S/c1-25(14-15-5-3-2-4-6-15)10-12-27-11-9-23-20(28)24-19(26)16-7-8-17(21)18(22)13-16/h2-8,13H,9-12,14H2,1H3,(H2,23,24,26,28)
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n/an/a 55n/an/an/an/an/an/a



Centre de Recherche Pierre Fabre

Curated by ChEMBL


Assay Description
In vitro inhibitory effect on rat Acetylcholinesterase


J Med Chem 38: 2969-73 (1995)


BindingDB Entry DOI: 10.7270/Q22B8X2S
More data for this
Ligand-Target Pair
Acetylcholinesterase


(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 63n/an/an/an/an/an/a



Centre de Recherche Pierre Fabre

Curated by ChEMBL


Assay Description
In vitro inhibitory effect on rat Acetylcholinesterase


J Med Chem 38: 2969-73 (1995)


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


(Rattus norvegicus (rat))
BDBM50032386
PNG
(1-{2-[2-(Benzyl-methyl-amino)-ethoxy]-ethyl}-3-(4-...)
Show SMILES CN(CCOCCNC(=S)NC(=O)c1ccc(C)cc1)Cc1ccccc1
Show InChI InChI=1S/C21H27N3O2S/c1-17-8-10-19(11-9-17)20(25)23-21(27)22-12-14-26-15-13-24(2)16-18-6-4-3-5-7-18/h3-11H,12-16H2,1-2H3,(H2,22,23,25,27)
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n/an/a 77n/an/an/an/an/an/a



Centre de Recherche Pierre Fabre

Curated by ChEMBL


Assay Description
In vitro inhibitory effect on rat Acetylcholinesterase


J Med Chem 38: 2969-73 (1995)


BindingDB Entry DOI: 10.7270/Q22B8X2S
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50004000
PNG
((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...)
Show SMILES CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1 |r|
Show InChI InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15+/m1/s1
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n/an/a 80n/an/an/an/an/an/a



Centre de Recherche Pierre Fabre

Curated by ChEMBL


Assay Description
In vitro inhibitory effect on rat Acetylcholinesterase


J Med Chem 38: 2969-73 (1995)


BindingDB Entry DOI: 10.7270/Q22B8X2S
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50032397
PNG
(1-{2-[2-(Benzyl-methyl-amino)-ethoxy]-ethyl}-3-(na...)
Show SMILES CN(CCOCCNC(=S)NC(=O)c1ccc2ccccc2c1)Cc1ccccc1
Show InChI InChI=1S/C24H27N3O2S/c1-27(18-19-7-3-2-4-8-19)14-16-29-15-13-25-24(30)26-23(28)22-12-11-20-9-5-6-10-21(20)17-22/h2-12,17H,13-16,18H2,1H3,(H2,25,26,28,30)
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n/an/a 100n/an/an/an/an/an/a



Centre de Recherche Pierre Fabre

Curated by ChEMBL


Assay Description
In vitro inhibitory effect on rat Acetylcholinesterase


J Med Chem 38: 2969-73 (1995)


BindingDB Entry DOI: 10.7270/Q22B8X2S
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50032381
PNG
(1-Benzoyl-3-{2-[2-(benzyl-methyl-amino)-ethoxy]-et...)
Show SMILES CN(CCOCCNC(=S)NC(=O)c1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C20H25N3O2S/c1-23(16-17-8-4-2-5-9-17)13-15-25-14-12-21-20(26)22-19(24)18-10-6-3-7-11-18/h2-11H,12-16H2,1H3,(H2,21,22,24,26)
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n/an/a 120n/an/an/an/an/an/a



Centre de Recherche Pierre Fabre

Curated by ChEMBL


Assay Description
In vitro inhibitory effect on rat Acetylcholinesterase


J Med Chem 38: 2969-73 (1995)


BindingDB Entry DOI: 10.7270/Q22B8X2S
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50032383
PNG
(1-{2-[2-(Benzyl-methyl-amino)-ethoxy]-ethyl}-3-(bi...)
Show SMILES CN(CCOCCNC(=S)NC(=O)c1ccc(cc1)-c1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C26H29N3O2S/c1-29(20-21-8-4-2-5-9-21)17-19-31-18-16-27-26(32)28-25(30)24-14-12-23(13-15-24)22-10-6-3-7-11-22/h2-15H,16-20H2,1H3,(H2,27,28,30,32)
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n/an/a 230n/an/an/an/an/an/a



Centre de Recherche Pierre Fabre

Curated by ChEMBL


Assay Description
In vitro inhibitory effect on rat Acetylcholinesterase


J Med Chem 38: 2969-73 (1995)


BindingDB Entry DOI: 10.7270/Q22B8X2S
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM10404
PNG
((1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetrac...)
Show SMILES COc1ccc2CN(C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:12|
Show InChI InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-/m0/s1
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n/an/a 538n/an/an/an/an/an/a



Centre de Recherche Pierre Fabre

Curated by ChEMBL


Assay Description
In vitro inhibitory effect on rat Acetylcholinesterase


J Med Chem 38: 2969-73 (1995)


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


(Rattus norvegicus (rat))
BDBM50032388
PNG
(1-(2-(2-(benzyl(methyl)amino)ethoxy)ethyl)-3-(4-(t...)
Show SMILES CN(CCOCCNC(=S)Nc1ccc(OC(F)(F)F)cc1)Cc1ccccc1
Show InChI InChI=1S/C20H24F3N3O2S/c1-26(15-16-5-3-2-4-6-16)12-14-27-13-11-24-19(29)25-17-7-9-18(10-8-17)28-20(21,22)23/h2-10H,11-15H2,1H3,(H2,24,25,29)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Centre de Recherche Pierre Fabre

Curated by ChEMBL


Assay Description
In vitro inhibitory effect on rat Acetylcholinesterase


J Med Chem 38: 2969-73 (1995)


BindingDB Entry DOI: 10.7270/Q22B8X2S
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50032387
PNG
(1-Benzoyl-3-{3-[2-(benzyl-methyl-amino)-ethoxy]-pr...)
Show SMILES CN(CCOCCCNC(=S)NC(=O)c1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C21H27N3O2S/c1-24(17-18-9-4-2-5-10-18)14-16-26-15-8-13-22-21(27)23-20(25)19-11-6-3-7-12-19/h2-7,9-12H,8,13-17H2,1H3,(H2,22,23,25,27)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Centre de Recherche Pierre Fabre

Curated by ChEMBL


Assay Description
In vitro inhibitory effect on rat Acetylcholinesterase


J Med Chem 38: 2969-73 (1995)


BindingDB Entry DOI: 10.7270/Q22B8X2S
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50032396
PNG
(1-(2-(2-(benzyl(methyl)amino)ethoxy)ethyl)-3-cyclo...)
Show SMILES CN(CCOCCNC(=S)NC1CCCCC1)Cc1ccccc1
Show InChI InChI=1S/C19H31N3OS/c1-22(16-17-8-4-2-5-9-17)13-15-23-14-12-20-19(24)21-18-10-6-3-7-11-18/h2,4-5,8-9,18H,3,6-7,10-16H2,1H3,(H2,20,21,24)
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n/an/a 1.40E+3n/an/an/an/an/an/a



Centre de Recherche Pierre Fabre

Curated by ChEMBL


Assay Description
In vitro inhibitory effect on rat Acetylcholinesterase


J Med Chem 38: 2969-73 (1995)


BindingDB Entry DOI: 10.7270/Q22B8X2S
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50032392
PNG
(1-(3,4-Dimethoxy-phenyl)-3-(2-{2-[methyl-(3-nitro-...)
Show SMILES COc1ccc(NC(=[SH+])[N-]CCOCCN(C)Cc2cccc(c2)[N+]([O-])=O)cc1OC
Show InChI InChI=1S/C21H28N4O5S/c1-24(15-16-5-4-6-18(13-16)25(26)27)10-12-30-11-9-22-21(31)23-17-7-8-19(28-2)20(14-17)29-3/h4-8,13-14H,9-12,15H2,1-3H3,(H2,22,23,31)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Centre de Recherche Pierre Fabre

Curated by ChEMBL


Assay Description
In vitro inhibitory effect on rat Acetylcholinesterase


J Med Chem 38: 2969-73 (1995)


BindingDB Entry DOI: 10.7270/Q22B8X2S
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50032385
PNG
(1-(2-(2-(benzyl(methyl)amino)ethoxy)ethyl)-3-(4-ch...)
Show SMILES CN(CCOCCNC(=S)Nc1ccc(Cl)cc1)Cc1ccccc1
Show InChI InChI=1S/C19H24ClN3OS/c1-23(15-16-5-3-2-4-6-16)12-14-24-13-11-21-19(25)22-18-9-7-17(20)8-10-18/h2-10H,11-15H2,1H3,(H2,21,22,25)
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n/an/a 1.80E+3n/an/an/an/an/an/a



Centre de Recherche Pierre Fabre

Curated by ChEMBL


Assay Description
In vitro inhibitory effect on rat Acetylcholinesterase


J Med Chem 38: 2969-73 (1995)


BindingDB Entry DOI: 10.7270/Q22B8X2S
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50032380
PNG
(1-(2-(2-(benzyl(methyl)amino)ethoxy)ethyl)-3-(4-ni...)
Show SMILES CN(CCOCCNC(=O)Nc1ccc(cc1)[N+]([O-])=O)Cc1ccccc1
Show InChI InChI=1S/C19H24N4O4/c1-22(15-16-5-3-2-4-6-16)12-14-27-13-11-20-19(24)21-17-7-9-18(10-8-17)23(25)26/h2-10H,11-15H2,1H3,(H2,20,21,24)
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n/an/a 2.30E+3n/an/an/an/an/an/a



Centre de Recherche Pierre Fabre

Curated by ChEMBL


Assay Description
In vitro inhibitory effect on rat Acetylcholinesterase


J Med Chem 38: 2969-73 (1995)


BindingDB Entry DOI: 10.7270/Q22B8X2S
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50032389
PNG
(1-{2-[2-(Benzyl-methyl-amino)-ethoxy]-ethyl}-3-pyr...)
Show SMILES CN(CCOCCNC(=S)Nc1cccnc1)Cc1ccccc1
Show InChI InChI=1S/C18H24N4OS/c1-22(15-16-6-3-2-4-7-16)11-13-23-12-10-20-18(24)21-17-8-5-9-19-14-17/h2-9,14H,10-13,15H2,1H3,(H2,20,21,24)
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n/an/a 4.00E+3n/an/an/an/an/an/a



Centre de Recherche Pierre Fabre

Curated by ChEMBL


Assay Description
In vitro inhibitory effect on rat Acetylcholinesterase


J Med Chem 38: 2969-73 (1995)


BindingDB Entry DOI: 10.7270/Q22B8X2S
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50032400
PNG
(1-Benzyl-3-{2-[2-(cyclohexylmethyl-ethyl-amino)-et...)
Show SMILES CCN(CCOCCNC(=O)NCc1ccccc1)CC1CCCCC1
Show InChI InChI=1S/C21H35N3O2/c1-2-24(18-20-11-7-4-8-12-20)14-16-26-15-13-22-21(25)23-17-19-9-5-3-6-10-19/h3,5-6,9-10,20H,2,4,7-8,11-18H2,1H3,(H2,22,23,25)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Centre de Recherche Pierre Fabre

Curated by ChEMBL


Assay Description
In vitro inhibitory effect on rat Acetylcholinesterase


J Med Chem 38: 2969-73 (1995)


BindingDB Entry DOI: 10.7270/Q22B8X2S
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50032399
PNG
(1-(2-(2-(benzyl(methyl)amino)ethoxy)ethyl)-3-(naph...)
Show SMILES CN(CCOCCNC(=S)Nc1cccc2ccccc12)Cc1ccccc1
Show InChI InChI=1S/C23H27N3OS/c1-26(18-19-8-3-2-4-9-19)15-17-27-16-14-24-23(28)25-22-13-7-11-20-10-5-6-12-21(20)22/h2-13H,14-18H2,1H3,(H2,24,25,28)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Centre de Recherche Pierre Fabre

Curated by ChEMBL


Assay Description
In vitro inhibitory effect on rat Acetylcholinesterase


J Med Chem 38: 2969-73 (1995)


BindingDB Entry DOI: 10.7270/Q22B8X2S
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%