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Compile Data Set for Download or QSAR

Found 108 hits of Enz. Inhib. data with enzyme = 'Acetylcholinesterase' and Substrate = 'BDBM10759'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Acetylcholinesterase


(Homo sapiens (human))
BDBM10742
PNG
(1-amino-2,3-dihydro-1H-inden-4-yl N,N-dimethylcarb...)
Show SMILES CN(C)C(=O)Oc1cccc2C(N)CCc12
Show InChI InChI=1S/C12H16N2O2/c1-14(2)12(15)16-11-5-3-4-8-9(11)6-7-10(8)13/h3-5,10H,6-7,13H2,1-2H3
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n/an/a 9n/an/an/an/an/an/a



Teva Pharmaceutical Industries



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: 5260-79 (2002)


Article DOI: 10.1021/jm020120c
BindingDB Entry DOI: 10.7270/Q2GQ6W07
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM10796
PNG
(1-(dimethylamino)-2,3-dihydro-1H-inden-4-yl N,N-di...)
Show SMILES CN(C)C1CCc2c1cccc2OC(=O)N(C)C
Show InChI InChI=1S/C14H20N2O2/c1-15(2)12-9-8-11-10(12)6-5-7-13(11)18-14(17)16(3)4/h5-7,12H,8-9H2,1-4H3
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n/an/a 13n/an/an/an/an/an/a



Teva Pharmaceutical Industries



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: 5260-79 (2002)


Article DOI: 10.1021/jm020120c
BindingDB Entry DOI: 10.7270/Q2GQ6W07
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM10743
PNG
(1-amino-2,3-dihydro-1H-inden-4-yl N-ethyl-N-methyl...)
Show SMILES CCN(C)C(=O)Oc1cccc2C(N)CCc12
Show InChI InChI=1S/C13H18N2O2/c1-3-15(2)13(16)17-12-6-4-5-9-10(12)7-8-11(9)14/h4-6,11H,3,7-8,14H2,1-2H3
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n/an/a 26n/an/an/an/an/an/a



Teva Pharmaceutical Industries



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: 5260-79 (2002)


Article DOI: 10.1021/jm020120c
BindingDB Entry DOI: 10.7270/Q2GQ6W07
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM10726
PNG
(3-[1-(dimethylamino)ethyl]phenyl N,N-dimethylcarba...)
Show SMILES CC(N(C)C)c1cccc(OC(=O)N(C)C)c1
Show InChI InChI=1S/C13H20N2O2/c1-10(14(2)3)11-7-6-8-12(9-11)17-13(16)15(4)5/h6-10H,1-5H3
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n/an/a 30n/an/an/an/a7.437



Teva Pharmaceutical Industries



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: 5260-79 (2002)


Article DOI: 10.1021/jm020120c
BindingDB Entry DOI: 10.7270/Q2GQ6W07
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM29400
PNG
(CHEMBL374184 | tacrine-dihydropyridine hybrid (tac...)
Show SMILES CCOC(=O)C1C(c2ccc(OC)cc2)c2c(N)c3CCCCc3nc2N=C1C
Show InChI InChI=1S/C23H27N3O3/c1-4-29-23(27)18-13(2)25-22-20(19(18)14-9-11-15(28-3)12-10-14)21(24)16-7-5-6-8-17(16)26-22/h9-12,18-19H,4-8H2,1-3H3,(H2,24,26)
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CSIC



Assay Description
The inhibitory activity of the compounds towards AChE was determined following the spectrophotometric method of Rappaport using purified AChE from Ee...


J Med Chem 52: 2724-32 (2009)


Article DOI: 10.1021/jm801292b
BindingDB Entry DOI: 10.7270/Q2C827NZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM29402
PNG
(tacrine-dihydropyridine hybrid (tacripyrine), 13)
Show SMILES CCOC(=O)C1C(c2cccnc2)c2c(N)c3CCCCc3nc2N=C1C
Show InChI InChI=1S/C21H24N4O2/c1-3-27-21(26)16-12(2)24-20-18(17(16)13-7-6-10-23-11-13)19(22)14-8-4-5-9-15(14)25-20/h6-7,10-11,16-17H,3-5,8-9H2,1-2H3,(H2,22,25)
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CSIC



Assay Description
The inhibitory activity of the compounds towards AChE was determined following the spectrophotometric method of Rappaport using purified AChE from Ee...


J Med Chem 52: 2724-32 (2009)


Article DOI: 10.1021/jm801292b
BindingDB Entry DOI: 10.7270/Q2C827NZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM29391
PNG
(CHEMBL219172 | tacrine-dihydropyridine hybrid (tac...)
Show SMILES CCOC(=O)C1C(c2ccc(F)cc2)c2c(N)c3CCCCc3nc2N=C1C
Show InChI InChI=1S/C22H24FN3O2/c1-3-28-22(27)17-12(2)25-21-19(18(17)13-8-10-14(23)11-9-13)20(24)15-6-4-5-7-16(15)26-21/h8-11,17-18H,3-7H2,1-2H3,(H2,24,26)
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CSIC



Assay Description
The inhibitory activity of the compounds towards AChE was determined following the spectrophotometric method of Rappaport using purified AChE from Ee...


J Med Chem 52: 2724-32 (2009)


Article DOI: 10.1021/jm801292b
BindingDB Entry DOI: 10.7270/Q2C827NZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM10783
PNG
(1-(prop-2-yn-1-ylamino)-2,3-dihydro-1H-inden-4-yl ...)
Show SMILES CN(C)C(=O)Oc1cccc2C(CCc12)NCC#C
Show InChI InChI=1S/C15H18N2O2/c1-4-10-16-13-9-8-12-11(13)6-5-7-14(12)19-15(18)17(2)3/h1,5-7,13,16H,8-10H2,2-3H3
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n/an/a 53n/an/an/an/an/an/a



Teva Pharmaceutical Industries



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: 5260-79 (2002)


Article DOI: 10.1021/jm020120c
BindingDB Entry DOI: 10.7270/Q2GQ6W07
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM29399
PNG
(CHEMBL218940 | tacrine-dihydropyridine hybrid (tac...)
Show SMILES CCOC(=O)C1C(c2cccc(OC)c2)c2c(N)c3CCCCc3nc2N=C1C
Show InChI InChI=1S/C23H27N3O3/c1-4-29-23(27)18-13(2)25-22-20(19(18)14-8-7-9-15(12-14)28-3)21(24)16-10-5-6-11-17(16)26-22/h7-9,12,18-19H,4-6,10-11H2,1-3H3,(H2,24,26)
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CSIC



Assay Description
The inhibitory activity of the compounds towards AChE was determined following the spectrophotometric method of Rappaport using purified AChE from Ee...


J Med Chem 52: 2724-32 (2009)


Article DOI: 10.1021/jm801292b
BindingDB Entry DOI: 10.7270/Q2C827NZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM29390
PNG
(CHEMBL218939 | tacrine-dihydropyridine hybrid (tac...)
Show SMILES CCOC(=O)C1C(c2ccccc2)c2c(N)c3CCCCc3nc2N=C1C
Show InChI InChI=1S/C22H25N3O2/c1-3-27-22(26)17-13(2)24-21-19(18(17)14-9-5-4-6-10-14)20(23)15-11-7-8-12-16(15)25-21/h4-6,9-10,17-18H,3,7-8,11-12H2,1-2H3,(H2,23,25)
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CSIC



Assay Description
The inhibitory activity of the compounds towards AChE was determined following the spectrophotometric method of Rappaport using purified AChE from Ee...


J Med Chem 52: 2724-32 (2009)


Article DOI: 10.1021/jm801292b
BindingDB Entry DOI: 10.7270/Q2C827NZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM29397
PNG
(tacrine-dihydropyridine hybrid (tacripyrine), 8)
Show SMILES CCOC(=O)C1C(c2ccc(cc2)-c2ccccc2)c2c(N)c3CCCCc3nc2N=C1C
Show InChI InChI=1S/C28H29N3O2/c1-3-33-28(32)23-17(2)30-27-25(26(29)21-11-7-8-12-22(21)31-27)24(23)20-15-13-19(14-16-20)18-9-5-4-6-10-18/h4-6,9-10,13-16,23-24H,3,7-8,11-12H2,1-2H3,(H2,29,31)
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CSIC



Assay Description
The inhibitory activity of the compounds towards AChE was determined following the spectrophotometric method of Rappaport using purified AChE from Ee...


J Med Chem 52: 2724-32 (2009)


Article DOI: 10.1021/jm801292b
BindingDB Entry DOI: 10.7270/Q2C827NZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM29396
PNG
(CHEMBL219406 | tacrine-dihydropyridine hybrid (tac...)
Show SMILES CCOC(=O)C1C(c2ccc(C)cc2)c2c(N)c3CCCCc3nc2N=C1C
Show InChI InChI=1S/C23H27N3O2/c1-4-28-23(27)18-14(3)25-22-20(19(18)15-11-9-13(2)10-12-15)21(24)16-7-5-6-8-17(16)26-22/h9-12,18-19H,4-8H2,1-3H3,(H2,24,26)
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CSIC



Assay Description
The inhibitory activity of the compounds towards AChE was determined following the spectrophotometric method of Rappaport using purified AChE from Ee...


J Med Chem 52: 2724-32 (2009)


Article DOI: 10.1021/jm801292b
BindingDB Entry DOI: 10.7270/Q2C827NZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM29401
PNG
(tacrine-dihydropyridine hybrid (tacripyrine), 12)
Show SMILES CCOC(=O)C1C(c2ccc(OC)c(OC)c2)c2c(N)c3CCCCc3nc2N=C1C
Show InChI InChI=1S/C24H29N3O4/c1-5-31-24(28)19-13(2)26-23-21(22(25)15-8-6-7-9-16(15)27-23)20(19)14-10-11-17(29-3)18(12-14)30-4/h10-12,19-20H,5-9H2,1-4H3,(H2,25,27)
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CSIC



Assay Description
The inhibitory activity of the compounds towards AChE was determined following the spectrophotometric method of Rappaport using purified AChE from Ee...


J Med Chem 52: 2724-32 (2009)


Article DOI: 10.1021/jm801292b
BindingDB Entry DOI: 10.7270/Q2C827NZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM29394
PNG
(CHEMBL220294 | tacrine-dihydropyridine hybrid (tac...)
Show SMILES CCOC(=O)C1C(c2cccc(c2)[N+]([O-])=O)c2c(N)c3CCCCc3nc2N=C1C
Show InChI InChI=1S/C22H24N4O4/c1-3-30-22(27)17-12(2)24-21-19(20(23)15-9-4-5-10-16(15)25-21)18(17)13-7-6-8-14(11-13)26(28)29/h6-8,11,17-18H,3-5,9-10H2,1-2H3,(H2,23,25)
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CSIC



Assay Description
The inhibitory activity of the compounds towards AChE was determined following the spectrophotometric method of Rappaport using purified AChE from Ee...


J Med Chem 52: 2724-32 (2009)


Article DOI: 10.1021/jm801292b
BindingDB Entry DOI: 10.7270/Q2C827NZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM29398
PNG
(CHEMBL436302 | tacrine-dihydropyridine hybrid (tac...)
Show SMILES CCOC(=O)C1C(c2ccccc2OC)c2c(N)c3CCCCc3nc2N=C1C
Show InChI InChI=1S/C23H27N3O3/c1-4-29-23(27)18-13(2)25-22-20(19(18)15-10-6-8-12-17(15)28-3)21(24)14-9-5-7-11-16(14)26-22/h6,8,10,12,18-19H,4-5,7,9,11H2,1-3H3,(H2,24,26)
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Assay Description
The inhibitory activity of the compounds towards AChE was determined following the spectrophotometric method of Rappaport using purified AChE from Ee...


J Med Chem 52: 2724-32 (2009)


Article DOI: 10.1021/jm801292b
BindingDB Entry DOI: 10.7270/Q2C827NZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM10812
PNG
(3-[2-(dimethylamino)ethyl]phenyl N,N-dimethylcarba...)
Show SMILES CN(C)CCc1cccc(OC(=O)N(C)C)c1
Show InChI InChI=1S/C13H20N2O2/c1-14(2)9-8-11-6-5-7-12(10-11)17-13(16)15(3)4/h5-7,10H,8-9H2,1-4H3
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Teva Pharmaceutical Industries



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: 5260-79 (2002)


Article DOI: 10.1021/jm020120c
BindingDB Entry DOI: 10.7270/Q2GQ6W07
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM10832
PNG
(3-[2-(but-3-yn-2-ylamino)ethyl]phenyl N,N-dimethyl...)
Show SMILES CC(NCCc1cccc(OC(=O)N(C)C)c1)C#C
Show InChI InChI=1S/C15H20N2O2/c1-5-12(2)16-10-9-13-7-6-8-14(11-13)19-15(18)17(3)4/h1,6-8,11-12,16H,9-10H2,2-4H3
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Teva Pharmaceutical Industries



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: 5260-79 (2002)


Article DOI: 10.1021/jm020120c
BindingDB Entry DOI: 10.7270/Q2GQ6W07
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
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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Assay Description
The inhibitory activity of the compounds towards AChE was determined following the spectrophotometric method of Rappaport using purified AChE from Ee...


J Med Chem 52: 2724-32 (2009)


Article DOI: 10.1021/jm801292b
BindingDB Entry DOI: 10.7270/Q2C827NZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM29392
PNG
(tacrine-dihydropyridine hybrid (tacripyrine), 3)
Show SMILES CCOC(=O)C1C(c2ccccc2C(F)(F)F)c2c(N)c3CCCCc3nc2N=C1C
Show InChI InChI=1S/C23H24F3N3O2/c1-3-31-22(30)17-12(2)28-21-19(20(27)14-9-5-7-11-16(14)29-21)18(17)13-8-4-6-10-15(13)23(24,25)26/h4,6,8,10,17-18H,3,5,7,9,11H2,1-2H3,(H2,27,29)
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Assay Description
The inhibitory activity of the compounds towards AChE was determined following the spectrophotometric method of Rappaport using purified AChE from Ee...


J Med Chem 52: 2724-32 (2009)


Article DOI: 10.1021/jm801292b
BindingDB Entry DOI: 10.7270/Q2C827NZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM10813
PNG
(3-[2-(prop-2-yn-1-ylamino)ethyl]phenyl N,N-dimethy...)
Show SMILES CN(C)C(=O)Oc1cccc(CCNCC#C)c1
Show InChI InChI=1S/C14H18N2O2/c1-4-9-15-10-8-12-6-5-7-13(11-12)18-14(17)16(2)3/h1,5-7,11,15H,8-10H2,2-3H3
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Teva Pharmaceutical Industries



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: 5260-79 (2002)


Article DOI: 10.1021/jm020120c
BindingDB Entry DOI: 10.7270/Q2GQ6W07
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM29403
PNG
(tacrine-dihydropyridine hybrid (tacripyrine), 14)
Show SMILES CCOC(=O)C1C(c2ccncc2)c2c(N)c3CCCCc3nc2N=C1C
Show InChI InChI=1S/C21H24N4O2/c1-3-27-21(26)16-12(2)24-20-18(17(16)13-8-10-23-11-9-13)19(22)14-6-4-5-7-15(14)25-20/h8-11,16-17H,3-7H2,1-2H3,(H2,22,25)
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n/an/a 220n/an/an/an/an/an/a



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Assay Description
The inhibitory activity of the compounds towards AChE was determined following the spectrophotometric method of Rappaport using purified AChE from Ee...


J Med Chem 52: 2724-32 (2009)


Article DOI: 10.1021/jm801292b
BindingDB Entry DOI: 10.7270/Q2C827NZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM10797
PNG
(3-(2-aminoethyl)phenyl N,N-dimethylcarbamate | Phe...)
Show SMILES CN(C)C(=O)Oc1cccc(CCN)c1
Show InChI InChI=1S/C11H16N2O2/c1-13(2)11(14)15-10-5-3-4-9(8-10)6-7-12/h3-5,8H,6-7,12H2,1-2H3
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n/an/a 230n/an/an/an/an/an/a



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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: 5260-79 (2002)


Article DOI: 10.1021/jm020120c
BindingDB Entry DOI: 10.7270/Q2GQ6W07
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM10810
PNG
(3-[2-(methylamino)ethyl]phenyl N,N-dimethylcarbama...)
Show SMILES CNCCc1cccc(OC(=O)N(C)C)c1
Show InChI InChI=1S/C12H18N2O2/c1-13-8-7-10-5-4-6-11(9-10)16-12(15)14(2)3/h4-6,9,13H,7-8H2,1-3H3
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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: 5260-79 (2002)


Article DOI: 10.1021/jm020120c
BindingDB Entry DOI: 10.7270/Q2GQ6W07
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM10732
PNG
(3-amino-2,3-dihydro-1H-inden-5-yl N-(4-methoxyphen...)
Show SMILES COc1ccc(cc1)N(C)C(=O)Oc1ccc2CCC(N)c2c1
Show InChI InChI=1S/C18H20N2O3/c1-20(13-5-8-14(22-2)9-6-13)18(21)23-15-7-3-12-4-10-17(19)16(12)11-15/h3,5-9,11,17H,4,10,19H2,1-2H3
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n/an/a 300n/an/an/an/a7.437



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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: 5260-79 (2002)


Article DOI: 10.1021/jm020120c
BindingDB Entry DOI: 10.7270/Q2GQ6W07
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM29393
PNG
(CHEMBL219400 | tacrine-dihydropyridine hybrid (tac...)
Show SMILES CCOC(=O)C1C(c2ccccc2[N+]([O-])=O)c2c(N)c3CCCCc3nc2N=C1C
Show InChI InChI=1S/C22H24N4O4/c1-3-30-22(27)17-12(2)24-21-19(20(23)13-8-4-6-10-15(13)25-21)18(17)14-9-5-7-11-16(14)26(28)29/h5,7,9,11,17-18H,3-4,6,8,10H2,1-2H3,(H2,23,25)
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n/an/a 304n/an/an/an/an/an/a



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Assay Description
The inhibitory activity of the compounds towards AChE was determined following the spectrophotometric method of Rappaport using purified AChE from Ee...


J Med Chem 52: 2724-32 (2009)


Article DOI: 10.1021/jm801292b
BindingDB Entry DOI: 10.7270/Q2C827NZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM10739
PNG
(3-amino-2,3-dihydro-1H-inden-4-yl N,N-dimethylcarb...)
Show SMILES CN(C)C(=O)Oc1cccc2CCC(N)c12
Show InChI InChI=1S/C12H16N2O2/c1-14(2)12(15)16-10-5-3-4-8-6-7-9(13)11(8)10/h3-5,9H,6-7,13H2,1-2H3
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n/an/a 460n/an/an/an/a7.437



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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: 5260-79 (2002)


Article DOI: 10.1021/jm020120c
BindingDB Entry DOI: 10.7270/Q2GQ6W07
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM10741
PNG
(3-(methylamino)-2,3-dihydro-1H-inden-4-yl N,N-dime...)
Show SMILES CNC1CCc2cccc(OC(=O)N(C)C)c12
Show InChI InChI=1S/C13H18N2O2/c1-14-10-8-7-9-5-4-6-11(12(9)10)17-13(16)15(2)3/h4-6,10,14H,7-8H2,1-3H3
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n/an/a 510n/an/an/an/an/an/a



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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: 5260-79 (2002)


Article DOI: 10.1021/jm020120c
BindingDB Entry DOI: 10.7270/Q2GQ6W07
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM10730
PNG
(3-amino-2,3-dihydro-1H-inden-5-yl N-hexyl-N-methyl...)
Show SMILES CCCCCCN(C)C(=O)Oc1ccc2CCC(N)c2c1
Show InChI InChI=1S/C17H26N2O2/c1-3-4-5-6-11-19(2)17(20)21-14-9-7-13-8-10-16(18)15(13)12-14/h7,9,12,16H,3-6,8,10-11,18H2,1-2H3
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n/an/a 530n/an/an/an/a7.437



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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: 5260-79 (2002)


Article DOI: 10.1021/jm020120c
BindingDB Entry DOI: 10.7270/Q2GQ6W07
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM10818
PNG
(3-[2-(prop-2-yn-1-ylamino)propyl]phenyl N,N-dimeth...)
Show SMILES CC(Cc1cccc(OC(=O)N(C)C)c1)NCC#C
Show InChI InChI=1S/C15H20N2O2/c1-5-9-16-12(2)10-13-7-6-8-14(11-13)19-15(18)17(3)4/h1,6-8,11-12,16H,9-10H2,2-4H3
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n/an/a 540n/an/an/an/an/an/a



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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: 5260-79 (2002)


Article DOI: 10.1021/jm020120c
BindingDB Entry DOI: 10.7270/Q2GQ6W07
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM10771
PNG
(3-(prop-2-yn-1-ylamino)-2,3-dihydro-1H-inden-5-yl ...)
Show SMILES CN(C(=O)Oc1ccc2CCC(NCC#C)c2c1)c1ccccc1
Show InChI InChI=1S/C20H20N2O2/c1-3-13-21-19-12-10-15-9-11-17(14-18(15)19)24-20(23)22(2)16-7-5-4-6-8-16/h1,4-9,11,14,19,21H,10,12-13H2,2H3
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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: 5260-79 (2002)


Article DOI: 10.1021/jm020120c
BindingDB Entry DOI: 10.7270/Q2GQ6W07
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM29395
PNG
(CHEMBL219405 | tacrine-dihydropyridine hybrid (tac...)
Show SMILES CCOC(=O)C1C(c2ccc(cc2)[N+]([O-])=O)c2c(N)c3CCCCc3nc2N=C1C
Show InChI InChI=1S/C22H24N4O4/c1-3-30-22(27)17-12(2)24-21-19(20(23)15-6-4-5-7-16(15)25-21)18(17)13-8-10-14(11-9-13)26(28)29/h8-11,17-18H,3-7H2,1-2H3,(H2,23,25)
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n/an/a 600n/an/an/an/an/an/a



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Assay Description
The inhibitory activity of the compounds towards AChE was determined following the spectrophotometric method of Rappaport using purified AChE from Ee...


J Med Chem 52: 2724-32 (2009)


Article DOI: 10.1021/jm801292b
BindingDB Entry DOI: 10.7270/Q2C827NZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM10727
PNG
(3-amino-2,3-dihydro-1H-inden-5-yl N,N-dimethylcarb...)
Show SMILES CN(C)C(=O)Oc1ccc2CCC(N)c2c1
Show InChI InChI=1S/C12H16N2O2/c1-14(2)12(15)16-9-5-3-8-4-6-11(13)10(8)7-9/h3,5,7,11H,4,6,13H2,1-2H3
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n/an/a 760n/an/an/an/a7.437



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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: 5260-79 (2002)


Article DOI: 10.1021/jm020120c
BindingDB Entry DOI: 10.7270/Q2GQ6W07
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM10816
PNG
(3-{2-[methyl(prop-2-yn-1-yl)amino]ethyl}phenyl N,N...)
Show SMILES CN(CCc1cccc(OC(=O)N(C)C)c1)CC#C
Show InChI InChI=1S/C15H20N2O2/c1-5-10-17(4)11-9-13-7-6-8-14(12-13)19-15(18)16(2)3/h1,6-8,12H,9-11H2,2-4H3
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n/an/a 850n/an/an/an/an/an/a



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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: 5260-79 (2002)


Article DOI: 10.1021/jm020120c
BindingDB Entry DOI: 10.7270/Q2GQ6W07
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM10762
PNG
(3-(prop-2-yn-1-ylamino)-2,3-dihydro-1H-inden-5-yl ...)
Show SMILES COc1ccc(cc1)N(C)C(=O)Oc1ccc2CCC(NCC#C)c2c1
Show InChI InChI=1S/C21H22N2O3/c1-4-13-22-20-12-6-15-5-9-18(14-19(15)20)26-21(24)23(2)16-7-10-17(25-3)11-8-16/h1,5,7-11,14,20,22H,6,12-13H2,2-3H3
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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: 5260-79 (2002)


Article DOI: 10.1021/jm020120c
BindingDB Entry DOI: 10.7270/Q2GQ6W07
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM10620
PNG
((S)-3-(1-(dimethylamino)ethyl)phenyl ethyl(methyl)...)
Show SMILES CCN(C)C(=O)Oc1cccc(c1)[C@H](C)N(C)C
Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
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n/an/a 920n/an/an/an/a7.437



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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: 5260-79 (2002)


Article DOI: 10.1021/jm020120c
BindingDB Entry DOI: 10.7270/Q2GQ6W07
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM10735
PNG
(3-(methylamino)-2,3-dihydro-1H-inden-5-yl N,N-dime...)
Show SMILES CNC1CCc2ccc(OC(=O)N(C)C)cc12
Show InChI InChI=1S/C13H18N2O2/c1-14-12-7-5-9-4-6-10(8-11(9)12)17-13(16)15(2)3/h4,6,8,12,14H,5,7H2,1-3H3
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n/an/a 1.07E+3n/an/an/an/a7.437



Teva Pharmaceutical Industries



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: 5260-79 (2002)


Article DOI: 10.1021/jm020120c
BindingDB Entry DOI: 10.7270/Q2GQ6W07
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM10744
PNG
(8-amino-5,6,7,8-tetrahydronaphthalen-2-yl N,N-dime...)
Show SMILES CN(C)C(=O)Oc1ccc2CCCC(N)c2c1
Show InChI InChI=1S/C13H18N2O2/c1-15(2)13(16)17-10-7-6-9-4-3-5-12(14)11(9)8-10/h6-8,12H,3-5,14H2,1-2H3
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n/an/a 1.48E+3n/an/an/an/an/an/a



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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: 5260-79 (2002)


Article DOI: 10.1021/jm020120c
BindingDB Entry DOI: 10.7270/Q2GQ6W07
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM10734
PNG
(3-amino-2,3-dihydro-1H-inden-5-yl N-propylcarbamat...)
Show SMILES CCCNC(=O)Oc1ccc2CCC(N)c2c1
Show InChI InChI=1S/C13H18N2O2/c1-2-7-15-13(16)17-10-5-3-9-4-6-12(14)11(9)8-10/h3,5,8,12H,2,4,6-7,14H2,1H3,(H,15,16)
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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: 5260-79 (2002)


Article DOI: 10.1021/jm020120c
BindingDB Entry DOI: 10.7270/Q2GQ6W07
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM10823
PNG
(3-{2-[methyl(prop-2-yn-1-yl)amino]propyl}phenyl N,...)
Show SMILES CC(Cc1cccc(OC(=O)N(C)C)c1)N(C)CC#C
Show InChI InChI=1S/C16H22N2O2/c1-6-10-18(5)13(2)11-14-8-7-9-15(12-14)20-16(19)17(3)4/h1,7-9,12-13H,10-11H2,2-5H3
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n/an/a 1.64E+3n/an/an/an/an/an/a



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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: 5260-79 (2002)


Article DOI: 10.1021/jm020120c
BindingDB Entry DOI: 10.7270/Q2GQ6W07
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM10770
PNG
(3-(prop-2-yn-1-ylamino)-2,3-dihydro-1H-inden-5-yl ...)
Show SMILES CN(Cc1ccccc1)C(=O)Oc1ccc2CCC(NCC#C)c2c1
Show InChI InChI=1S/C21H22N2O2/c1-3-13-22-20-12-10-17-9-11-18(14-19(17)20)25-21(24)23(2)15-16-7-5-4-6-8-16/h1,4-9,11,14,20,22H,10,12-13,15H2,2H3
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n/an/a 1.78E+3n/an/an/an/an/an/a



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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: 5260-79 (2002)


Article DOI: 10.1021/jm020120c
BindingDB Entry DOI: 10.7270/Q2GQ6W07
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM10789
PNG
(3-(but-3-yn-2-ylamino)-2,3-dihydro-1H-inden-5-yl N...)
Show SMILES CC(NC1CCc2ccc(OC(=O)N(C)C)cc12)C#C
Show InChI InChI=1S/C16H20N2O2/c1-5-11(2)17-15-9-7-12-6-8-13(10-14(12)15)20-16(19)18(3)4/h1,6,8,10-11,15,17H,7,9H2,2-4H3
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n/an/a 1.80E+3n/an/an/an/an/an/a



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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: 5260-79 (2002)


Article DOI: 10.1021/jm020120c
BindingDB Entry DOI: 10.7270/Q2GQ6W07
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM10748
PNG
((3R)-3-(prop-2-yn-1-ylamino)-2,3-dihydro-1H-inden-...)
Show SMILES CN(C)C(=O)Oc1ccc2CC[C@@H](NCC#C)c2c1
Show InChI InChI=1S/C15H18N2O2/c1-4-9-16-14-8-6-11-5-7-12(10-13(11)14)19-15(18)17(2)3/h1,5,7,10,14,16H,6,8-9H2,2-3H3/t14-/m1/s1
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n/an/a 1.80E+3n/an/an/an/an/an/a



Teva Pharmaceutical Industries



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: 5260-79 (2002)


Article DOI: 10.1021/jm020120c
BindingDB Entry DOI: 10.7270/Q2GQ6W07
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM10827
PNG
(3-[(2R)-2-[methyl(prop-2-yn-1-yl)amino]propyl]phen...)
Show SMILES CCCCCCN(C)C(=O)Oc1cccc(C[C@@H](C)N(C)CC#C)c1
Show InChI InChI=1S/C21H32N2O2/c1-6-8-9-10-15-23(5)21(24)25-20-13-11-12-19(17-20)16-18(3)22(4)14-7-2/h2,11-13,17-18H,6,8-10,14-16H2,1,3-5H3/t18-/m1/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



Teva Pharmaceutical Industries



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: 5260-79 (2002)


Article DOI: 10.1021/jm020120c
BindingDB Entry DOI: 10.7270/Q2GQ6W07
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM10784
PNG
(1-(prop-2-yn-1-ylamino)-2,3-dihydro-1H-inden-4-yl ...)
Show SMILES CCN(C)C(=O)Oc1cccc2C(CCc12)NCC#C
Show InChI InChI=1S/C16H20N2O2/c1-4-11-17-14-10-9-13-12(14)7-6-8-15(13)20-16(19)18(3)5-2/h1,6-8,14,17H,5,9-11H2,2-3H3
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n/an/a 2.15E+3n/an/an/an/an/an/a



Teva Pharmaceutical Industries



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: 5260-79 (2002)


Article DOI: 10.1021/jm020120c
BindingDB Entry DOI: 10.7270/Q2GQ6W07
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM10795
PNG
(3-(dimethylamino)-2,3-dihydro-1H-inden-5-yl N,N-di...)
Show SMILES CN(C)C1CCc2ccc(OC(=O)N(C)C)cc12
Show InChI InChI=1S/C14H20N2O2/c1-15(2)13-8-6-10-5-7-11(9-12(10)13)18-14(17)16(3)4/h5,7,9,13H,6,8H2,1-4H3
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n/an/a 2.15E+3n/an/an/an/an/an/a



Teva Pharmaceutical Industries



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: 5260-79 (2002)


Article DOI: 10.1021/jm020120c
BindingDB Entry DOI: 10.7270/Q2GQ6W07
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM10749
PNG
((3S)-3-(prop-2-yn-1-ylamino)-2,3-dihydro-1H-inden-...)
Show SMILES CN(C)C(=O)Oc1ccc2CC[C@H](NCC#C)c2c1
Show InChI InChI=1S/C15H18N2O2/c1-4-9-16-14-8-6-11-5-7-12(10-13(11)14)19-15(18)17(2)3/h1,5,7,10,14,16H,6,8-9H2,2-3H3/t14-/m0/s1
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n/an/a 2.25E+3n/an/an/an/an/an/a



Teva Pharmaceutical Industries



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: 5260-79 (2002)


Article DOI: 10.1021/jm020120c
BindingDB Entry DOI: 10.7270/Q2GQ6W07
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM10764
PNG
(3-(prop-2-yn-1-ylamino)-2,3-dihydro-1H-inden-5-yl ...)
Show SMILES CCCNC(=O)Oc1ccc2CCC(NCC#C)c2c1
Show InChI InChI=1S/C16H20N2O2/c1-3-9-17-15-8-6-12-5-7-13(11-14(12)15)20-16(19)18-10-4-2/h1,5,7,11,15,17H,4,6,8-10H2,2H3,(H,18,19)
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n/an/a 2.38E+3n/an/an/an/an/an/a



Teva Pharmaceutical Industries



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: 5260-79 (2002)


Article DOI: 10.1021/jm020120c
BindingDB Entry DOI: 10.7270/Q2GQ6W07
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM10777
PNG
(3-(prop-2-yn-1-ylamino)-2,3-dihydro-1H-inden-4-yl ...)
Show SMILES CN(C)C(=O)Oc1cccc2CCC(NCC#C)c12
Show InChI InChI=1S/C15H18N2O2/c1-4-10-16-12-9-8-11-6-5-7-13(14(11)12)19-15(18)17(2)3/h1,5-7,12,16H,8-10H2,2-3H3
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n/an/a 2.50E+3n/an/an/an/an/an/a



Teva Pharmaceutical Industries



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: 5260-79 (2002)


Article DOI: 10.1021/jm020120c
BindingDB Entry DOI: 10.7270/Q2GQ6W07
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM10826
PNG
(3-{2-[methyl(prop-2-yn-1-yl)amino]propyl}phenyl N-...)
Show SMILES CCCCCCN(C)C(=O)Oc1cccc(CC(C)N(C)CC#C)c1
Show InChI InChI=1S/C21H32N2O2/c1-6-8-9-10-15-23(5)21(24)25-20-13-11-12-19(17-20)16-18(3)22(4)14-7-2/h2,11-13,17-18H,6,8-10,14-16H2,1,3-5H3
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n/an/a 3.06E+3n/an/an/an/an/an/a



Teva Pharmaceutical Industries



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: 5260-79 (2002)


Article DOI: 10.1021/jm020120c
BindingDB Entry DOI: 10.7270/Q2GQ6W07
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM10746
PNG
(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl N,N-dime...)
Show SMILES CN(C)C(=O)Oc1ccc2CCC(N)Cc2c1
Show InChI InChI=1S/C13H18N2O2/c1-15(2)13(16)17-12-6-4-9-3-5-11(14)7-10(9)8-12/h4,6,8,11H,3,5,7,14H2,1-2H3
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n/an/a 3.24E+3n/an/an/an/an/an/a



Teva Pharmaceutical Industries



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: 5260-79 (2002)


Article DOI: 10.1021/jm020120c
BindingDB Entry DOI: 10.7270/Q2GQ6W07
More data for this
Ligand-Target Pair
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