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Compile Data Set for Download or QSAR

Found 624 hits of ph data with Target = 'Acetylcholinesterase'   
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


(Tetronarce californica (Pacific electric ray) (Tor...)
BDBM10439
PNG
((5S)-5-[(10-{[(5S)-2-oxo-1,2,5,6,7,8-hexahydroquin...)
Show SMILES O=c1ccc2[C@H](CCCc2[nH]1)NCCCCCCCCCCN[C@H]1CCCc2[nH]c(=O)ccc12
Show InChI InChI=1S/C28H42N4O2/c33-27-17-15-21-23(11-9-13-25(21)31-27)29-19-7-5-3-1-2-4-6-8-20-30-24-12-10-14-26-22(24)16-18-28(34)32-26/h15-18,23-24,29-30H,1-14,19-20H2,(H,31,33)(H,32,34)/t23-,24-/m0/s1
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0.800 -51.4 2.40n/an/an/an/a7.022



Weizmann Institute of Science



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at ...


J Am Chem Soc 125: 363-73 (2003)


Article DOI: 10.1021/ja021111w
BindingDB Entry DOI: 10.7270/Q26D5R69
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)
BDBM10440
PNG
((5S)-5-[(12-{[(5S)-2-oxo-1,2,5,6,7,8-hexahydroquin...)
Show SMILES O=c1ccc2[C@H](CCCc2[nH]1)NCCCCCCCCCCCCN[C@H]1CCCc2[nH]c(=O)ccc12
Show InChI InChI=1S/C30H46N4O2/c35-29-19-17-23-25(13-11-15-27(23)33-29)31-21-9-7-5-3-1-2-4-6-8-10-22-32-26-14-12-16-28-24(26)18-20-30(36)34-28/h17-20,25-26,31-32H,1-16,21-22H2,(H,33,35)(H,34,36)/t25-,26-/m0/s1
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4.5 -47.2 16n/an/an/an/a7.022



Weizmann Institute of Science



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at ...


J Am Chem Soc 125: 363-73 (2003)


Article DOI: 10.1021/ja021111w
BindingDB Entry DOI: 10.7270/Q26D5R69
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM10440
PNG
((5S)-5-[(12-{[(5S)-2-oxo-1,2,5,6,7,8-hexahydroquin...)
Show SMILES O=c1ccc2[C@H](CCCc2[nH]1)NCCCCCCCCCCCCN[C@H]1CCCc2[nH]c(=O)ccc12
Show InChI InChI=1S/C30H46N4O2/c35-29-19-17-23-25(13-11-15-27(23)33-29)31-21-9-7-5-3-1-2-4-6-8-10-22-32-26-14-12-16-28-24(26)18-20-30(36)34-28/h17-20,25-26,31-32H,1-16,21-22H2,(H,33,35)(H,34,36)/t25-,26-/m0/s1
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19.6 -43.6 52n/an/an/an/a7.022



Weizmann Institute of Science



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at ...


J Am Chem Soc 125: 363-73 (2003)


Article DOI: 10.1021/ja021111w
BindingDB Entry DOI: 10.7270/Q26D5R69
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM10441
PNG
((+)-Huperzine A | (+/-)Huperzine A | (-)-Huperzine...)
Show SMILES C\C=C1/C2Cc3[nH]c(=O)ccc3C1(N)CC(C)=C2
Show InChI InChI=1S/C15H18N2O/c1-3-11-10-6-9(2)8-15(11,16)12-4-5-14(18)17-13(12)7-10/h3-6,10H,7-8,16H2,1-2H3,(H,17,18)/b11-3+
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47.1 -41.4 114n/an/an/an/a7.022



Weizmann Institute of Science



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at ...


J Am Chem Soc 125: 363-73 (2003)


Article DOI: 10.1021/ja021111w
BindingDB Entry DOI: 10.7270/Q26D5R69
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)
BDBM10441
PNG
((+)-Huperzine A | (+/-)Huperzine A | (-)-Huperzine...)
Show SMILES C\C=C1/C2Cc3[nH]c(=O)ccc3C1(N)CC(C)=C2
Show InChI InChI=1S/C15H18N2O/c1-3-11-10-6-9(2)8-15(11,16)12-4-5-14(18)17-13(12)7-10/h3-6,10H,7-8,16H2,1-2H3,(H,17,18)/b11-3+
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175 -38.6n/an/an/an/an/a7.025



Weizmann Institute of Science



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at ...


Biochemistry 41: 10810-8 (2002)


Article DOI: 10.1021/jm800936s
BindingDB Entry DOI: 10.7270/Q2HQ3X52
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)
BDBM10441
PNG
((+)-Huperzine A | (+/-)Huperzine A | (-)-Huperzine...)
Show SMILES C\C=C1/C2Cc3[nH]c(=O)ccc3C1(N)CC(C)=C2
Show InChI InChI=1S/C15H18N2O/c1-3-11-10-6-9(2)8-15(11,16)12-4-5-14(18)17-13(12)7-10/h3-6,10H,7-8,16H2,1-2H3,(H,17,18)/b11-3+
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175 -38.2 414n/an/an/an/a7.022



Weizmann Institute of Science



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at ...


J Am Chem Soc 125: 363-73 (2003)


Article DOI: 10.1021/ja021111w
BindingDB Entry DOI: 10.7270/Q26D5R69
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)
BDBM10632
PNG
((-)-Huperzine B | (1R,10R)-16-methyl-6,14-diazatet...)
Show SMILES CC1=CC2Cc3[nH]c(=O)ccc3[C@]3(C1)NCCC[C@H]23
Show InChI InChI=1S/C16H20N2O/c1-10-7-11-8-14-13(4-5-15(19)18-14)16(9-10)12(11)3-2-6-17-16/h4-5,7,11-12,17H,2-3,6,8-9H2,1H3,(H,18,19)/t11?,12-,16-/m1/s1
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334 -37.0n/an/an/an/an/a7.025



Weizmann Institute of Science



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at ...


Biochemistry 41: 10810-8 (2002)


Article DOI: 10.1021/jm800936s
BindingDB Entry DOI: 10.7270/Q2HQ3X52
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)
BDBM10441
PNG
((+)-Huperzine A | (+/-)Huperzine A | (-)-Huperzine...)
Show SMILES C\C=C1/C2Cc3[nH]c(=O)ccc3C1(N)CC(C)=C2
Show InChI InChI=1S/C15H18N2O/c1-3-11-10-6-9(2)8-15(11,16)12-4-5-14(18)17-13(12)7-10/h3-6,10H,7-8,16H2,1-2H3,(H,17,18)/b11-3+
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4.30E+3 -30.6n/an/an/an/an/a7.025



Weizmann Institute of Science



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at ...


Biochemistry 41: 10810-8 (2002)


Article DOI: 10.1021/jm800936s
BindingDB Entry DOI: 10.7270/Q2HQ3X52
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM10439
PNG
((5S)-5-[(10-{[(5S)-2-oxo-1,2,5,6,7,8-hexahydroquin...)
Show SMILES O=c1ccc2[C@H](CCCc2[nH]1)NCCCCCCCCCCN[C@H]1CCCc2[nH]c(=O)ccc12
Show InChI InChI=1S/C28H42N4O2/c33-27-17-15-21-23(11-9-13-25(21)31-27)29-19-7-5-3-1-2-4-6-8-20-30-24-12-10-14-26-22(24)16-18-28(34)32-26/h15-18,23-24,29-30H,1-14,19-20H2,(H,31,33)(H,32,34)/t23-,24-/m0/s1
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n/an/a 151n/an/an/an/a7.022



Weizmann Institute of Science



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at ...


J Am Chem Soc 125: 363-73 (2003)


Article DOI: 10.1021/ja021111w
BindingDB Entry DOI: 10.7270/Q26D5R69
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
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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n/an/a 193n/an/an/an/a7.222



CSIC



Assay Description
The inhibitory activity of the compounds towards hAChE was determined following the method of Ellman using AChE from human serum and acetylthiocholin...


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))
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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n/an/a 58n/an/an/an/a7.222



CSIC



Assay Description
The inhibitory activity of the compounds towards hAChE was determined following the method of Ellman using AChE from human serum and acetylthiocholin...


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))
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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n/an/a 234n/an/an/an/a7.222



CSIC



Assay Description
The inhibitory activity of the compounds towards hAChE was determined following the method of Ellman using AChE from human serum and acetylthiocholin...


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))
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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n/an/a 71n/an/an/an/a7.222



CSIC



Assay Description
The inhibitory activity of the compounds towards hAChE was determined following the method of Ellman using AChE from human serum and acetylthiocholin...


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))
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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n/an/a 169n/an/an/an/a7.222



CSIC



Assay Description
The inhibitory activity of the compounds towards hAChE was determined following the method of Ellman using AChE from human serum and acetylthiocholin...


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))
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 309n/an/an/an/a7.222



CSIC



Assay Description
The inhibitory activity of the compounds towards hAChE was determined following the method of Ellman using AChE from human serum and acetylthiocholin...


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))
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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n/an/a 191n/an/an/an/a7.222



CSIC



Assay Description
The inhibitory activity of the compounds towards hAChE was determined following the method of Ellman using AChE from human serum and acetylthiocholin...


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))
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 338n/an/an/an/a7.222



CSIC



Assay Description
The inhibitory activity of the compounds towards hAChE was determined following the method of Ellman using AChE from human serum and acetylthiocholin...


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))
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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n/an/a 226n/an/an/an/a7.222



CSIC



Assay Description
The inhibitory activity of the compounds towards hAChE was determined following the method of Ellman using AChE from human serum and acetylthiocholin...


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))
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 223n/an/an/an/a7.222



CSIC



Assay Description
The inhibitory activity of the compounds towards hAChE was determined following the method of Ellman using AChE from human serum and acetylthiocholin...


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))
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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n/an/a 158n/an/an/an/a7.222



CSIC



Assay Description
The inhibitory activity of the compounds towards hAChE was determined following the method of Ellman using AChE from human serum and acetylthiocholin...


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))
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 147n/an/an/an/a7.222



CSIC



Assay Description
The inhibitory activity of the compounds towards hAChE was determined following the method of Ellman using AChE from human serum and acetylthiocholin...


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))
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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n/an/a 122n/an/an/an/a7.222



CSIC



Assay Description
The inhibitory activity of the compounds towards hAChE was determined following the method of Ellman using AChE from human serum and acetylthiocholin...


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))
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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n/an/a 45n/an/an/an/a7.222



CSIC



Assay Description
The inhibitory activity of the compounds towards hAChE was determined following the method of Ellman using AChE from human serum and acetylthiocholin...


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))
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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n/an/a 105n/an/an/an/a7.222



CSIC



Assay Description
The inhibitory activity of the compounds towards hAChE was determined following the method of Ellman using AChE from human serum and acetylthiocholin...


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))
BDBM13550
PNG
(3-(3,4,5-Trimethoxyphenyl)-N-(6-oxo-6-(2-(1,2,3,4-...)
Show SMILES COc1cc(CCC(=O)NCCCCCC(=O)NNc2c3CCCCc3nc3ccccc23)cc(OC)c1OC
Show InChI InChI=1S/C31H40N4O5/c1-38-26-19-21(20-27(39-2)31(26)40-3)16-17-28(36)32-18-10-4-5-15-29(37)34-35-30-22-11-6-8-13-24(22)33-25-14-9-7-12-23(25)30/h6,8,11,13,19-20H,4-5,7,9-10,12,14-18H2,1-3H3,(H,32,36)(H,33,35)(H,34,37)
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n/an/a 8.39n/an/an/an/a7.325



Rheinische Friedrich-Wilhelms-Universitat Bonn



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changed at 412 nm and was monitored with spectr...


J Med Chem 49: 7540-4 (2006)


Article DOI: 10.1021/jm060742o
BindingDB Entry DOI: 10.7270/Q21Z42NF
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM13549
PNG
(3-(3,4,5-Trimethoxyphenyl)-N-(5-oxo-5-(2-(1,2,3,4-...)
Show SMILES COc1cc(CCC(=O)NCCCCC(=O)NNc2c3CCCCc3nc3ccccc23)cc(OC)c1OC
Show InChI InChI=1S/C30H38N4O5/c1-37-25-18-20(19-26(38-2)30(25)39-3)15-16-27(35)31-17-9-8-14-28(36)33-34-29-21-10-4-6-12-23(21)32-24-13-7-5-11-22(24)29/h4,6,10,12,18-19H,5,7-9,11,13-17H2,1-3H3,(H,31,35)(H,32,34)(H,33,36)
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n/an/a 59n/an/an/an/a7.325



Rheinische Friedrich-Wilhelms-Universitat Bonn



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changed at 412 nm and was monitored with spectr...


J Med Chem 49: 7540-4 (2006)


Article DOI: 10.1021/jm060742o
BindingDB Entry DOI: 10.7270/Q21Z42NF
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM13548
PNG
(3-(3,4,5-Trimethoxyphenyl)-N-(4-oxo-4-(2-(1,2,3,4-...)
Show SMILES COc1cc(CCC(=O)NCCCC(=O)NNc2c3CCCCc3nc3ccccc23)cc(OC)c1OC
Show InChI InChI=1S/C29H36N4O5/c1-36-24-17-19(18-25(37-2)29(24)38-3)14-15-26(34)30-16-8-13-27(35)32-33-28-20-9-4-6-11-22(20)31-23-12-7-5-10-21(23)28/h4,6,9,11,17-18H,5,7-8,10,12-16H2,1-3H3,(H,30,34)(H,31,33)(H,32,35)
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n/an/a 72.1n/an/an/an/a7.325



Rheinische Friedrich-Wilhelms-Universitat Bonn



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changed at 412 nm and was monitored with spectr...


J Med Chem 49: 7540-4 (2006)


Article DOI: 10.1021/jm060742o
BindingDB Entry DOI: 10.7270/Q21Z42NF
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM13547
PNG
(3-(3,4,5-Trimethoxyphenyl)-N-(3-oxo-3-(2-(1,2,3,4-...)
Show SMILES COc1cc(CCC(=O)NCCC(=O)NNc2c3CCCCc3nc3ccccc23)cc(OC)c1OC
Show InChI InChI=1S/C28H34N4O5/c1-35-23-16-18(17-24(36-2)28(23)37-3)12-13-25(33)29-15-14-26(34)31-32-27-19-8-4-6-10-21(19)30-22-11-7-5-9-20(22)27/h4,6,8,10,16-17H,5,7,9,11-15H2,1-3H3,(H,29,33)(H,30,32)(H,31,34)
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n/an/a 135n/an/an/an/a7.325



Rheinische Friedrich-Wilhelms-Universitat Bonn



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changed at 412 nm and was monitored with spectr...


J Med Chem 49: 7540-4 (2006)


Article DOI: 10.1021/jm060742o
BindingDB Entry DOI: 10.7270/Q21Z42NF
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM13546
PNG
(3-(3,4,5-Trimethoxyphenyl)-N-(2-oxo-2-(2-(1,2,3,4-...)
Show SMILES COc1cc(CCC(=O)NCC(=O)NNc2c3CCCCc3nc3ccccc23)cc(OC)c1OC
Show InChI InChI=1S/C27H32N4O5/c1-34-22-14-17(15-23(35-2)27(22)36-3)12-13-24(32)28-16-25(33)30-31-26-18-8-4-6-10-20(18)29-21-11-7-5-9-19(21)26/h4,6,8,10,14-15H,5,7,9,11-13,16H2,1-3H3,(H,28,32)(H,29,31)(H,30,33)
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n/an/a 40.7n/an/an/an/a7.325



Rheinische Friedrich-Wilhelms-Universitat Bonn



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changed at 412 nm and was monitored with spectr...


J Med Chem 49: 7540-4 (2006)


Article DOI: 10.1021/jm060742o
BindingDB Entry DOI: 10.7270/Q21Z42NF
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM13545
PNG
(N'-(1,2,3,4-tetrahydroacridin-9-yl)-3-(3,4,5-trime...)
Show SMILES COc1cc(CCC(=O)NNc2c3CCCCc3nc3ccccc23)cc(OC)c1OC
Show InChI InChI=1S/C25H29N3O4/c1-30-21-14-16(15-22(31-2)25(21)32-3)12-13-23(29)27-28-24-17-8-4-6-10-19(17)26-20-11-7-5-9-18(20)24/h4,6,8,10,14-15H,5,7,9,11-13H2,1-3H3,(H,26,28)(H,27,29)
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n/an/a 365n/an/an/an/a7.325



Rheinische Friedrich-Wilhelms-Universitat Bonn



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changed at 412 nm and was monitored with spectr...


J Med Chem 49: 7540-4 (2006)


Article DOI: 10.1021/jm060742o
BindingDB Entry DOI: 10.7270/Q21Z42NF
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM13544
PNG
(3,4,5-Trimethoxy-N-(9-oxo-9-(2-(1,2,3,4-tetrahydro...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)NCCCCCCCCC(=O)NNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C32H42N4O5/c1-39-27-20-22(21-28(40-2)31(27)41-3)32(38)33-19-13-7-5-4-6-8-18-29(37)35-36-30-23-14-9-11-16-25(23)34-26-17-12-10-15-24(26)30/h9,11,14,16,20-21H,4-8,10,12-13,15,17-19H2,1-3H3,(H,33,38)(H,34,36)(H,35,37)
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n/an/a 5.08n/an/an/an/a7.325



Rheinische Friedrich-Wilhelms-Universitat Bonn



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changed at 412 nm and was monitored with spectr...


J Med Chem 49: 7540-4 (2006)


Article DOI: 10.1021/jm060742o
BindingDB Entry DOI: 10.7270/Q21Z42NF
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM13543
PNG
(3,4,5-Trimethoxy-N-(8-oxo-8-(2-(1,2,3,4-tetrahydro...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)NCCCCCCCC(=O)NNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C31H40N4O5/c1-38-26-19-21(20-27(39-2)30(26)40-3)31(37)32-18-12-6-4-5-7-17-28(36)34-35-29-22-13-8-10-15-24(22)33-25-16-11-9-14-23(25)29/h8,10,13,15,19-20H,4-7,9,11-12,14,16-18H2,1-3H3,(H,32,37)(H,33,35)(H,34,36)
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n/an/a 5.24n/an/an/an/a7.325



Rheinische Friedrich-Wilhelms-Universitat Bonn



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changed at 412 nm and was monitored with spectr...


J Med Chem 49: 7540-4 (2006)


Article DOI: 10.1021/jm060742o
BindingDB Entry DOI: 10.7270/Q21Z42NF
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM13540
PNG
(3,4,5-Trimethoxy-N-(5-oxo-5-(2-(1,2,3,4-tetrahydro...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)NCCCCC(=O)NNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C28H34N4O5/c1-35-23-16-18(17-24(36-2)27(23)37-3)28(34)29-15-9-8-14-25(33)31-32-26-19-10-4-6-12-21(19)30-22-13-7-5-11-20(22)26/h4,6,10,12,16-17H,5,7-9,11,13-15H2,1-3H3,(H,29,34)(H,30,32)(H,31,33)
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n/an/a 17n/an/an/an/a7.325



Rheinische Friedrich-Wilhelms-Universitat Bonn



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changed at 412 nm and was monitored with spectr...


J Med Chem 49: 7540-4 (2006)


Article DOI: 10.1021/jm060742o
BindingDB Entry DOI: 10.7270/Q21Z42NF
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM13541
PNG
(3,4,5-Trimethoxy-N-(6-oxo-6-(2-(1,2,3,4-tetrahydro...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)NCCCCCC(=O)NNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C29H36N4O5/c1-36-24-17-19(18-25(37-2)28(24)38-3)29(35)30-16-10-4-5-15-26(34)32-33-27-20-11-6-8-13-22(20)31-23-14-9-7-12-21(23)27/h6,8,11,13,17-18H,4-5,7,9-10,12,14-16H2,1-3H3,(H,30,35)(H,31,33)(H,32,34)
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n/an/a 18.2n/an/an/an/a7.325



Rheinische Friedrich-Wilhelms-Universitat Bonn



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changed at 412 nm and was monitored with spectr...


J Med Chem 49: 7540-4 (2006)


Article DOI: 10.1021/jm060742o
BindingDB Entry DOI: 10.7270/Q21Z42NF
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM13542
PNG
(3,4,5-Trimethoxy-N-(7-oxo-7-(2-(1,2,3,4-tetrahydro...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)NCCCCCCC(=O)NNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C30H38N4O5/c1-37-25-18-20(19-26(38-2)29(25)39-3)30(36)31-17-11-5-4-6-16-27(35)33-34-28-21-12-7-9-14-23(21)32-24-15-10-8-13-22(24)28/h7,9,12,14,18-19H,4-6,8,10-11,13,15-17H2,1-3H3,(H,31,36)(H,32,34)(H,33,35)
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n/an/a 5.65n/an/an/an/a7.325



Rheinische Friedrich-Wilhelms-Universitat Bonn



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changed at 412 nm and was monitored with spectr...


J Med Chem 49: 7540-4 (2006)


Article DOI: 10.1021/jm060742o
BindingDB Entry DOI: 10.7270/Q21Z42NF
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM13536
PNG
(3,4,5-trimethoxy-N'-(1,2,3,4-tetrahydroacridin-9-y...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)NNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C23H25N3O4/c1-28-19-12-14(13-20(29-2)22(19)30-3)23(27)26-25-21-15-8-4-6-10-17(15)24-18-11-7-5-9-16(18)21/h4,6,8,10,12-13H,5,7,9,11H2,1-3H3,(H,24,25)(H,26,27)
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PubMed
n/an/a 386n/an/an/an/a7.325



Rheinische Friedrich-Wilhelms-Universitat Bonn



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changed at 412 nm and was monitored with spectr...


J Med Chem 49: 7540-4 (2006)


Article DOI: 10.1021/jm060742o
BindingDB Entry DOI: 10.7270/Q21Z42NF
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM13537
PNG
(3,4,5-Trimethoxy-N-(2-oxo-2-(2-(1,2,3,4-tetrahydro...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)NCC(=O)NNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C25H28N4O5/c1-32-20-12-15(13-21(33-2)24(20)34-3)25(31)26-14-22(30)28-29-23-16-8-4-6-10-18(16)27-19-11-7-5-9-17(19)23/h4,6,8,10,12-13H,5,7,9,11,14H2,1-3H3,(H,26,31)(H,27,29)(H,28,30)
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PubMed
n/an/a 51.6n/an/an/an/a7.325



Rheinische Friedrich-Wilhelms-Universitat Bonn



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changed at 412 nm and was monitored with spectr...


J Med Chem 49: 7540-4 (2006)


Article DOI: 10.1021/jm060742o
BindingDB Entry DOI: 10.7270/Q21Z42NF
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM13539
PNG
(3,4,5-Trimethoxy-N-(4-oxo-4-(2-(1,2,3,4-tetrahydro...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)NCCCC(=O)NNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C27H32N4O5/c1-34-22-15-17(16-23(35-2)26(22)36-3)27(33)28-14-8-13-24(32)30-31-25-18-9-4-6-11-20(18)29-21-12-7-5-10-19(21)25/h4,6,9,11,15-16H,5,7-8,10,12-14H2,1-3H3,(H,28,33)(H,29,31)(H,30,32)
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PubMed
n/an/a 241n/an/an/an/a7.325



Rheinische Friedrich-Wilhelms-Universitat Bonn



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changed at 412 nm and was monitored with spectr...


J Med Chem 49: 7540-4 (2006)


Article DOI: 10.1021/jm060742o
BindingDB Entry DOI: 10.7270/Q21Z42NF
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM13538
PNG
(3,4,5-Trimethoxy-N-(3-oxo-3-(2-(1,2,3,4-tetrahydro...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)NCCC(=O)NNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C26H30N4O5/c1-33-21-14-16(15-22(34-2)25(21)35-3)26(32)27-13-12-23(31)29-30-24-17-8-4-6-10-19(17)28-20-11-7-5-9-18(20)24/h4,6,8,10,14-15H,5,7,9,11-13H2,1-3H3,(H,27,32)(H,28,30)(H,29,31)
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PubMed
n/an/a 89.2n/an/an/an/a7.325



Rheinische Friedrich-Wilhelms-Universitat Bonn



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changed at 412 nm and was monitored with spectr...


J Med Chem 49: 7540-4 (2006)


Article DOI: 10.1021/jm060742o
BindingDB Entry DOI: 10.7270/Q21Z42NF
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
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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PubMed
6.90 -46.1n/an/an/an/an/a7.422



University of North Carolina at Chapel Hill



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. Estimates of the competitive inhibition constants (Ki) were ob...


Chem Biol 10: 341-9 (2003)


Article DOI: 10.1016/j.chembiol.2010.07.018
BindingDB Entry DOI: 10.7270/Q2N014T9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM24710
PNG
(6-chloro-2-methoxyacridin-9-amine | 9-Amino-6-Chlo...)
Show SMILES COc1ccc2nc3cc(Cl)ccc3c(N)c2c1
Show InChI InChI=1S/C14H11ClN2O/c1-18-9-3-5-12-11(7-9)14(16)10-4-2-8(15)6-13(10)17-12/h2-7H,1H3,(H2,16,17)
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49 -41.3n/an/an/an/an/a7.422



University of North Carolina at Chapel Hill



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. Estimates of the competitive inhibition constants (Ki) were ob...


Chem Biol 10: 341-9 (2003)


Article DOI: 10.1016/j.chembiol.2010.07.018
BindingDB Entry DOI: 10.7270/Q2N014T9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM24709
PNG
(6,9-Diamino-2-Ethoxyacridine | 7-ethoxyacridine-3,...)
Show SMILES CCOc1ccc2nc3cc(N)ccc3c(N)c2c1
Show InChI InChI=1S/C15H15N3O/c1-2-19-10-4-6-13-12(8-10)15(17)11-5-3-9(16)7-14(11)18-13/h3-8H,2,16H2,1H3,(H2,17,18)
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PubMed
490 -35.7n/an/an/an/an/a7.422



University of North Carolina at Chapel Hill



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. Estimates of the competitive inhibition constants (Ki) were ob...


Chem Biol 10: 341-9 (2003)


Article DOI: 10.1016/j.chembiol.2010.07.018
BindingDB Entry DOI: 10.7270/Q2N014T9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM91726
PNG
(Carbacylamidophosphate, 2b)
Show SMILES Brc1ccc(cc1)C(=O)NP(=O)(N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C15H21BrN3O4P/c16-14-3-1-13(2-4-14)15(20)17-24(21,18-5-9-22-10-6-18)19-7-11-23-12-8-19/h1-4H,5-12H2,(H,17,20,21)
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PubMed
n/an/a 6.20E+5 3.82E+3n/an/an/a7.437



Tarbiat Modares University



Assay Description
In-vitro and vivo using AChE and BuChE enzyme.


J Enzyme Inhib Med Chem 24: 566-76 (2009)


Article DOI: 10.1080/14756360802316971
BindingDB Entry DOI: 10.7270/Q2VT1QPP
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM91728
PNG
(Carbacylamidophosphate, 3b)
Show SMILES O=C(NP(=O)(N1CCOCC1)N1CCOCC1)c1ccccc1
Show InChI InChI=1S/C15H22N3O4P/c19-15(14-4-2-1-3-5-14)16-23(20,17-6-10-21-11-7-17)18-8-12-22-13-9-18/h1-5H,6-13H2,(H,16,19,20)
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PubMed
n/an/a 4.15E+6 2.95E+6n/an/an/a7.437



Tarbiat Modares University



Assay Description
In-vitro and vivo using AChE and BuChE enzyme.


J Enzyme Inhib Med Chem 24: 566-76 (2009)


Article DOI: 10.1080/14756360802316971
BindingDB Entry DOI: 10.7270/Q2VT1QPP
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM91730
PNG
(Carbacylamidophosphate, 4b)
Show SMILES Cc1ccc(cc1)C(=O)NP(=O)(N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C16H24N3O4P/c1-14-2-4-15(5-3-14)16(20)17-24(21,18-6-10-22-11-7-18)19-8-12-23-13-9-19/h2-5H,6-13H2,1H3,(H,17,20,21)
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PubMed
n/an/a 2.89E+6 4.26E+6n/an/an/a7.437



Tarbiat Modares University



Assay Description
In-vitro and vivo using AChE and BuChE enzyme.


J Enzyme Inhib Med Chem 24: 566-76 (2009)


Article DOI: 10.1080/14756360802316971
BindingDB Entry DOI: 10.7270/Q2VT1QPP
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM91725
PNG
(Carbacylamidophosphate, 2a)
Show SMILES ClP(Cl)(=O)NC(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C7H5BrCl2NO2P/c8-6-3-1-5(2-4-6)7(12)11-14(9,10)13/h1-4H,(H,11,12,13)
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PubMed
n/an/a 1.30E+5n/an/an/an/a7.437



Tarbiat Modares University



Assay Description
In-vitro and vivo using AChE and BuChE enzyme.


J Enzyme Inhib Med Chem 24: 566-76 (2009)


Article DOI: 10.1080/14756360802316971
BindingDB Entry DOI: 10.7270/Q2VT1QPP
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM91574
PNG
(Organophosphorus compound, 1)
Show SMILES CN(C)P(Cl)(=O)Oc1ccc(C)cc1
Show InChI InChI=1S/C9H13ClNO2P/c1-8-4-6-9(7-5-8)13-14(10,12)11(2)3/h4-7H,1-3H3
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PubMed
n/an/a 1.37E+6n/an/an/an/a7.425



Imam Hossein University



Assay Description
The activity of AChE was measured according to method developed by Ellman. The inhibition potency of organophosphorus compounds is assayed by measur...


J Enzyme Inhib Med Chem 23: 556-61 (2008)


Article DOI: 10.1080/14756360701731981
BindingDB Entry DOI: 10.7270/Q2XP73HH
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM91575
PNG
(Organophosphorus compound, 2)
Show SMILES COP(=O)(Oc1ccc(C)cc1)N(C)C
Show InChI InChI=1S/C10H16NO3P/c1-9-5-7-10(8-6-9)14-15(12,13-4)11(2)3/h5-8H,1-4H3
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PubMed
n/an/a 1.73E+6n/an/an/an/a7.425



Imam Hossein University



Assay Description
The activity of AChE was measured according to method developed by Ellman. The inhibition potency of organophosphorus compounds is assayed by measur...


J Enzyme Inhib Med Chem 23: 556-61 (2008)


Article DOI: 10.1080/14756360701731981
BindingDB Entry DOI: 10.7270/Q2XP73HH
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM91576
PNG
(Organophosphorus compound, 3)
Show SMILES CN(C)P(F)(=O)Oc1ccc(C)cc1
Show InChI InChI=1S/C9H13FNO2P/c1-8-4-6-9(7-5-8)13-14(10,12)11(2)3/h4-7H,1-3H3
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PubMed
n/an/a 4.29E+6n/an/an/an/a7.425



Imam Hossein University



Assay Description
The activity of AChE was measured according to method developed by Ellman. The inhibition potency of organophosphorus compounds is assayed by measur...


J Enzyme Inhib Med Chem 23: 556-61 (2008)


Article DOI: 10.1080/14756360701731981
BindingDB Entry DOI: 10.7270/Q2XP73HH
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM91577
PNG
(Organophosphorus compound, 4)
Show SMILES CCN(CC)P(=O)(Oc1ccc(C)cc1)N(C)C
Show InChI InChI=1S/C13H23N2O2P/c1-6-15(7-2)18(16,14(4)5)17-13-10-8-12(3)9-11-13/h8-11H,6-7H2,1-5H3
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PubMed
n/an/a 4.93E+6n/an/an/an/a7.425



Imam Hossein University



Assay Description
The activity of AChE was measured according to method developed by Ellman. The inhibition potency of organophosphorus compounds is assayed by measur...


J Enzyme Inhib Med Chem 23: 556-61 (2008)


Article DOI: 10.1080/14756360701731981
BindingDB Entry DOI: 10.7270/Q2XP73HH
More data for this
Ligand-Target Pair
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