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Compile Data Set for Download or QSAR

Found 188 hits with Last Name = 'pang' and Initial = 'yp'   
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 -38.2 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


(Rattus norvegicus (rat))
BDBM10469
PNG
(Bis-THA inhibitor 1c | Bis-THA inhibitor 8 | CHEMB...)
Show SMILES C(CCCCNc1c2CCCCc2nc2ccccc12)CCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C35H44N4/c1(2-4-14-24-36-34-26-16-6-10-20-30(26)38-31-21-11-7-17-27(31)34)3-5-15-25-37-35-28-18-8-12-22-32(28)39-33-23-13-9-19-29(33)35/h6,8,10,12,16,18,20,22H,1-5,7,9,11,13-15,17,19,21,23-25H2,(H,36,38)(H,37,39)
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n/an/a 0.770n/an/an/an/a7.437



Mayo Foundation for Medical Education and Research



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


J Biol Chem 271: 23646-9 (1996)


Article DOI: 10.1038/sj.bjp.0706048
BindingDB Entry DOI: 10.7270/Q2XW4H0P
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM8963
PNG
(CHEMBL32823 | Homodimeric Tacrine Analog 3b | N-[7...)
Show SMILES C(CCCNc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C33H40N4/c1(2-12-22-34-32-24-14-4-8-18-28(24)36-29-19-9-5-15-25(29)32)3-13-23-35-33-26-16-6-10-20-30(26)37-31-21-11-7-17-27(31)33/h4,6,8,10,14,16,18,20H,1-3,5,7,9,11-13,15,17,19,21-23H2,(H,34,36)(H,35,37)
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n/an/a 1.5n/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Inhibition of rat brain AChE


J Med Chem 49: 5491-500 (2006)


Article DOI: 10.1021/jm060164b
BindingDB Entry DOI: 10.7270/Q2154GPX
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM8963
PNG
(CHEMBL32823 | Homodimeric Tacrine Analog 3b | N-[7...)
Show SMILES C(CCCNc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C33H40N4/c1(2-12-22-34-32-24-14-4-8-18-28(24)36-29-19-9-5-15-25(29)32)3-13-23-35-33-26-16-6-10-20-30(26)37-31-21-11-7-17-27(31)33/h4,6,8,10,14,16,18,20H,1-3,5,7,9,11-13,15,17,19,21-23H2,(H,34,36)(H,35,37)
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n/an/a 1.5n/an/an/an/an/an/a



Hong Kong University of Science and Technology



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


J Med Chem 42: 4225-31 (1999)


Article DOI: 10.1021/jm990224w
BindingDB Entry DOI: 10.7270/Q2W957CH
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM8963
PNG
(CHEMBL32823 | Homodimeric Tacrine Analog 3b | N-[7...)
Show SMILES C(CCCNc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C33H40N4/c1(2-12-22-34-32-24-14-4-8-18-28(24)36-29-19-9-5-15-25(29)32)3-13-23-35-33-26-16-6-10-20-30(26)37-31-21-11-7-17-27(31)33/h4,6,8,10,14,16,18,20H,1-3,5,7,9,11-13,15,17,19,21-23H2,(H,34,36)(H,35,37)
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n/an/a 1.5n/an/an/an/an/an/a



Hong Kong University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibitory potency against acetylcholinesterase (AChE) of rat cortex homogenate with ethopropazine as BChE inhibitor


Bioorg Med Chem Lett 9: 2335-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00396-0
BindingDB Entry DOI: 10.7270/Q2PK0GPF
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM10470
PNG
(Bis-THA inhibitor 1d | Bis-THA inhibitor 9 | CHEMB...)
Show SMILES C(CCCCCNc1c2CCCCc2nc2ccccc12)CCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C36H46N4/c1(3-5-15-25-37-35-27-17-7-11-21-31(27)39-32-22-12-8-18-28(32)35)2-4-6-16-26-38-36-29-19-9-13-23-33(29)40-34-24-14-10-20-30(34)36/h7,9,11,13,17,19,21,23H,1-6,8,10,12,14-16,18,20,22,24-26H2,(H,37,39)(H,38,40)
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n/an/a 3.10n/an/an/an/a7.437



Mayo Foundation for Medical Education and Research



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


J Biol Chem 271: 23646-9 (1996)


Article DOI: 10.1038/sj.bjp.0706048
BindingDB Entry DOI: 10.7270/Q2XW4H0P
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM9047
PNG
(Bis-THA inhibitor 5 | CHEMBL73800 | Hexylene-Linke...)
Show SMILES C(CCCNc1c2CCCCc2nc2ccccc12)CCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C32H38N4/c1(11-21-33-31-23-13-3-7-17-27(23)35-28-18-8-4-14-24(28)31)2-12-22-34-32-25-15-5-9-19-29(25)36-30-20-10-6-16-26(30)32/h3,5,7,9,13,15,17,19H,1-2,4,6,8,10-12,14,16,18,20-22H2,(H,33,35)(H,34,36)
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n/an/a 3.80n/an/an/an/a7.437



Hong Kong University of Science and Technology



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


Bioorg Med Chem 7: 351-7 (1999)


Article DOI: 10.1016/j.bmc.2007.08.013
BindingDB Entry DOI: 10.7270/Q2T43R9Q
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM9047
PNG
(Bis-THA inhibitor 5 | CHEMBL73800 | Hexylene-Linke...)
Show SMILES C(CCCNc1c2CCCCc2nc2ccccc12)CCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C32H38N4/c1(11-21-33-31-23-13-3-7-17-27(23)35-28-18-8-4-14-24(28)31)2-12-22-34-32-25-15-5-9-19-29(25)36-30-20-10-6-16-26(30)32/h3,5,7,9,13,15,17,19H,1-2,4,6,8,10-12,14,16,18,20-22H2,(H,33,35)(H,34,36)
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n/an/a 3.80n/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Inhibition of rat brain AChE


J Med Chem 49: 5491-500 (2006)


Article DOI: 10.1021/jm060164b
BindingDB Entry DOI: 10.7270/Q2154GPX
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM8964
PNG
(CHEMBL75274 | Homodimeric Tacrine Analog 3c | N-[8...)
Show SMILES C(CCCCNc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C34H42N4/c1(3-13-23-35-33-25-15-5-9-19-29(25)37-30-20-10-6-16-26(30)33)2-4-14-24-36-34-27-17-7-11-21-31(27)38-32-22-12-8-18-28(32)34/h5,7,9,11,15,17,19,21H,1-4,6,8,10,12-14,16,18,20,22-24H2,(H,35,37)(H,36,38)
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n/an/a 7.80n/an/an/an/an/an/a



Hong Kong University of Science and Technology



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


J Med Chem 42: 4225-31 (1999)


Article DOI: 10.1021/jm990224w
BindingDB Entry DOI: 10.7270/Q2W957CH
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM8964
PNG
(CHEMBL75274 | Homodimeric Tacrine Analog 3c | N-[8...)
Show SMILES C(CCCCNc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C34H42N4/c1(3-13-23-35-33-25-15-5-9-19-29(25)37-30-20-10-6-16-26(30)33)2-4-14-24-36-34-27-17-7-11-21-31(27)38-32-22-12-8-18-28(32)34/h5,7,9,11,15,17,19,21H,1-4,6,8,10,12-14,16,18,20,22-24H2,(H,35,37)(H,36,38)
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n/an/a 7.80n/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Inhibition of rat brain AChE


J Med Chem 49: 5491-500 (2006)


Article DOI: 10.1021/jm060164b
BindingDB Entry DOI: 10.7270/Q2154GPX
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM9441
PNG
(CHEMBL1082738 | Heterodimeric Tacrine-Based Inhibi...)
Show SMILES C(CCCCNc1c2CCCCc2nc2ccccc12)CCCNc1ccnc2ccccc12
Show InChI InChI=1S/C30H36N4/c1(3-11-20-31-27-19-22-32-26-16-8-5-13-23(26)27)2-4-12-21-33-30-24-14-6-9-17-28(24)34-29-18-10-7-15-25(29)30/h5-6,8-9,13-14,16-17,19,22H,1-4,7,10-12,15,18,20-21H2,(H,31,32)(H,33,34)
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n/an/a 8.80n/an/an/an/an/an/a



Hong Kong University of Science and Technology



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


J Med Chem 42: 4225-31 (1999)


Article DOI: 10.1021/jm990224w
BindingDB Entry DOI: 10.7270/Q2W957CH
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50080157
PNG
((RS)-tacrine(10)-hupyridone | 5-[10-(1,2,3,4-Tetra...)
Show SMILES O=c1ccc2C(CCCc2[nH]1)NCCCCCCCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C32H44N4O/c37-31-21-20-24-27(18-13-19-28(24)36-31)33-22-11-5-3-1-2-4-6-12-23-34-32-25-14-7-9-16-29(25)35-30-17-10-8-15-26(30)32/h7,9,14,16,20-21,27,33H,1-6,8,10-13,15,17-19,22-23H2,(H,34,35)(H,36,37)
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n/an/a 8.80n/an/an/an/an/an/a



Hong Kong University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibitory potency against acetylcholinesterase (AChE) of rat cortex homogenate with ethopropazine as BChE inhibitor


Bioorg Med Chem Lett 9: 2335-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00396-0
BindingDB Entry DOI: 10.7270/Q2PK0GPF
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM9440
PNG
(CHEMBL1084775 | Heterodimeric Tacrine-Based Inhibi...)
Show SMILES C(CCCNc1ccnc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C29H34N4/c1(2-10-19-30-26-18-21-31-25-15-7-4-12-22(25)26)3-11-20-32-29-23-13-5-8-16-27(23)33-28-17-9-6-14-24(28)29/h4-5,7-8,12-13,15-16,18,21H,1-3,6,9-11,14,17,19-20H2,(H,30,31)(H,32,33)
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n/an/a 10.1n/an/an/an/an/an/a



Hong Kong University of Science and Technology



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


J Med Chem 42: 4225-31 (1999)


Article DOI: 10.1021/jm990224w
BindingDB Entry DOI: 10.7270/Q2W957CH
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM9435
PNG
(CHEMBL1084369 | Heterodimeric Tacrine-Based Inhibi...)
Show SMILES C(CCCNc1ccncc1)CCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C25H32N4/c1(2-8-16-27-20-14-18-26-19-15-20)3-9-17-28-25-21-10-4-6-12-23(21)29-24-13-7-5-11-22(24)25/h4,6,10,12,14-15,18-19H,1-3,5,7-9,11,13,16-17H2,(H,26,27)(H,28,29)
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n/an/a 12.8n/an/an/an/a7.437



Hong Kong University of Science and Technology



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


J Med Chem 42: 4225-31 (1999)


Article DOI: 10.1021/jm990224w
BindingDB Entry DOI: 10.7270/Q2W957CH
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM9436
PNG
(CHEMBL1084096 | Heterodimeric Tacrine-Based Inhibi...)
Show SMILES C(CCCCNc1c2CCCCc2nc2ccccc12)CCCNc1ccncc1
Show InChI InChI=1S/C26H34N4/c1(3-9-17-28-21-15-19-27-20-16-21)2-4-10-18-29-26-22-11-5-7-13-24(22)30-25-14-8-6-12-23(25)26/h5,7,11,13,15-16,19-20H,1-4,6,8-10,12,14,17-18H2,(H,27,28)(H,29,30)
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n/an/a 13.6n/an/an/an/a7.437



Hong Kong University of Science and Technology



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


J Med Chem 42: 4225-31 (1999)


Article DOI: 10.1021/jm990224w
BindingDB Entry DOI: 10.7270/Q2W957CH
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50080160
PNG
(5-[8-(1,2,3,4-Tetrahydro-acridin-9-ylamino)-octyla...)
Show SMILES O=c1ccc2C(CCCc2[nH]1)NCCCCCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C30H40N4O/c35-29-19-18-22-25(16-11-17-26(22)34-29)31-20-9-3-1-2-4-10-21-32-30-23-12-5-7-14-27(23)33-28-15-8-6-13-24(28)30/h5,7,12,14,18-19,25,31H,1-4,6,8-11,13,15-17,20-21H2,(H,32,33)(H,34,35)
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n/an/a 26n/an/an/an/an/an/a



Hong Kong University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibitory potency against acetylcholinesterase (AChE) of rat cortex homogenate with ethopropazine as BChE inhibitor


Bioorg Med Chem Lett 9: 2335-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00396-0
BindingDB Entry DOI: 10.7270/Q2PK0GPF
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM8962
PNG
(Bis-THA inhibitor 4 | CHEMBL179732 | N-[5-(1,2,3,4...)
Show SMILES C(CCNc1c2CCCCc2nc2ccccc12)CCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C31H36N4/c1(10-20-32-30-22-12-2-6-16-26(22)34-27-17-7-3-13-23(27)30)11-21-33-31-24-14-4-8-18-28(24)35-29-19-9-5-15-25(29)31/h2,4,6,8,12,14,16,18H,1,3,5,7,9-11,13,15,17,19-21H2,(H,32,34)(H,33,35)
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n/an/a 28n/an/an/an/a7.437



Hong Kong University of Science and Technology



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


Bioorg Med Chem 7: 351-7 (1999)


Article DOI: 10.1016/j.bmc.2007.08.013
BindingDB Entry DOI: 10.7270/Q2T43R9Q
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM8962
PNG
(Bis-THA inhibitor 4 | CHEMBL179732 | N-[5-(1,2,3,4...)
Show SMILES C(CCNc1c2CCCCc2nc2ccccc12)CCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C31H36N4/c1(10-20-32-30-22-12-2-6-16-26(22)34-27-17-7-3-13-23(27)30)11-21-33-31-24-14-4-8-18-28(24)35-29-19-9-5-15-25(29)31/h2,4,6,8,12,14,16,18H,1,3,5,7,9-11,13,15,17,19-21H2,(H,32,34)(H,33,35)
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n/an/a 28n/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Inhibition of rat brain AChE


J Med Chem 49: 5491-500 (2006)


Article DOI: 10.1021/jm060164b
BindingDB Entry DOI: 10.7270/Q2154GPX
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM10469
PNG
(Bis-THA inhibitor 1c | Bis-THA inhibitor 8 | CHEMB...)
Show SMILES C(CCCCNc1c2CCCCc2nc2ccccc12)CCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C35H44N4/c1(2-4-14-24-36-34-26-16-6-10-20-30(26)38-31-21-11-7-17-27(31)34)3-5-15-25-37-35-28-18-8-12-22-32(28)39-33-23-13-9-19-29(33)35/h6,8,10,12,16,18,20,22H,1-5,7,9,11,13-15,17,19,21,23-25H2,(H,36,38)(H,37,39)
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n/an/a 31n/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Inhibition of rat brain AChE


J Med Chem 49: 5491-500 (2006)


Article DOI: 10.1021/jm060164b
BindingDB Entry DOI: 10.7270/Q2154GPX
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM10469
PNG
(Bis-THA inhibitor 1c | Bis-THA inhibitor 8 | CHEMB...)
Show SMILES C(CCCCNc1c2CCCCc2nc2ccccc12)CCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C35H44N4/c1(2-4-14-24-36-34-26-16-6-10-20-30(26)38-31-21-11-7-17-27(31)34)3-5-15-25-37-35-28-18-8-12-22-32(28)39-33-23-13-9-19-29(33)35/h6,8,10,12,16,18,20,22H,1-5,7,9,11,13-15,17,19,21,23-25H2,(H,36,38)(H,37,39)
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n/an/a 31n/an/an/an/a7.437



Hong Kong University of Science and Technology



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


Bioorg Med Chem 7: 351-7 (1999)


Article DOI: 10.1016/j.bmc.2007.08.013
BindingDB Entry DOI: 10.7270/Q2T43R9Q
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50080162
PNG
(5-[9-(1,2,3,4-Tetrahydro-acridin-9-ylamino)-nonyla...)
Show SMILES O=c1ccc2C(CCCc2[nH]1)NCCCCCCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C31H42N4O/c36-30-20-19-23-26(17-12-18-27(23)35-30)32-21-10-4-2-1-3-5-11-22-33-31-24-13-6-8-15-28(24)34-29-16-9-7-14-25(29)31/h6,8,13,15,19-20,26,32H,1-5,7,9-12,14,16-18,21-22H2,(H,33,34)(H,35,36)
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n/an/a 36n/an/an/an/an/an/a



Hong Kong University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibitory potency against acetylcholinesterase (AChE) of rat cortex homogenate with ethopropazine as BChE inhibitor


Bioorg Med Chem Lett 9: 2335-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00396-0
BindingDB Entry DOI: 10.7270/Q2PK0GPF
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50366608
PNG
(CHEMBL1202834)
Show SMILES O=c1ccc2C(CCCc2[nH]1)NCCCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C28H36N4O/c33-27-17-16-20-23(14-9-15-24(20)32-27)29-18-7-1-2-8-19-30-28-21-10-3-5-12-25(21)31-26-13-6-4-11-22(26)28/h3,5,10,12,16-17,23,29H,1-2,4,6-9,11,13-15,18-19H2,(H,30,31)(H,32,33)
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n/an/a 37n/an/an/an/an/an/a



Hong Kong University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibitory potency against acetylcholinesterase (AChE) of rat cortex homogenate with ethopropazine as BChE inhibitor


Bioorg Med Chem Lett 9: 2335-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00396-0
BindingDB Entry DOI: 10.7270/Q2PK0GPF
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM9442
PNG
(CHEMBL1082739 | Heterodimeric Tacrine-Based Inhibi...)
Show SMILES C(CCCCNc1ccnc2ccccc12)CCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C31H38N4/c1(2-4-12-21-32-28-20-23-33-27-17-9-6-14-24(27)28)3-5-13-22-34-31-25-15-7-10-18-29(25)35-30-19-11-8-16-26(30)31/h6-7,9-10,14-15,17-18,20,23H,1-5,8,11-13,16,19,21-22H2,(H,32,33)(H,34,35)
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n/an/a 38.7n/an/an/an/an/an/a



Hong Kong University of Science and Technology



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


J Med Chem 42: 4225-31 (1999)


Article DOI: 10.1021/jm990224w
BindingDB Entry DOI: 10.7270/Q2W957CH
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM10470
PNG
(Bis-THA inhibitor 1d | Bis-THA inhibitor 9 | CHEMB...)
Show SMILES C(CCCCCNc1c2CCCCc2nc2ccccc12)CCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C36H46N4/c1(3-5-15-25-37-35-27-17-7-11-21-31(27)39-32-22-12-8-18-28(32)35)2-4-6-16-26-38-36-29-19-9-13-23-33(29)40-34-24-14-10-20-30(34)36/h7,9,11,13,17,19,21,23H,1-6,8,10,12,14-16,18,20,22,24-26H2,(H,37,39)(H,38,40)
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n/an/a 40n/an/an/an/a7.437



Hong Kong University of Science and Technology



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


Bioorg Med Chem 7: 351-7 (1999)


Article DOI: 10.1016/j.bmc.2007.08.013
BindingDB Entry DOI: 10.7270/Q2T43R9Q
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM10470
PNG
(Bis-THA inhibitor 1d | Bis-THA inhibitor 9 | CHEMB...)
Show SMILES C(CCCCCNc1c2CCCCc2nc2ccccc12)CCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C36H46N4/c1(3-5-15-25-37-35-27-17-7-11-21-31(27)39-32-22-12-8-18-28(32)35)2-4-6-16-26-38-36-29-19-9-13-23-33(29)40-34-24-14-10-20-30(34)36/h7,9,11,13,17,19,21,23H,1-6,8,10,12,14-16,18,20,22,24-26H2,(H,37,39)(H,38,40)
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n/an/a 40n/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Inhibition of rat brain AChE


J Med Chem 49: 5491-500 (2006)


Article DOI: 10.1021/jm060164b
BindingDB Entry DOI: 10.7270/Q2154GPX
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50366606
PNG
(CHEMBL1202835)
Show SMILES O=c1ccc2C(CCCc2[nH]1)NCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C26H32N4O/c31-25-15-14-18-21(12-7-13-22(18)30-25)27-16-5-6-17-28-26-19-8-1-3-10-23(19)29-24-11-4-2-9-20(24)26/h1,3,8,10,14-15,21,27H,2,4-7,9,11-13,16-17H2,(H,28,29)(H,30,31)
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n/an/a 43n/an/an/an/an/an/a



Hong Kong University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibitory potency against acetylcholinesterase (AChE) of rat cortex homogenate with ethopropazine as BChE inhibitor


Bioorg Med Chem Lett 9: 2335-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00396-0
BindingDB Entry DOI: 10.7270/Q2PK0GPF
More data for this
Ligand-Target Pair
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)


(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 44n/an/an/an/an/an/a



Mayo Foundation for Medical Education and Research



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


J Biol Chem 271: 23646-9 (1996)


Article DOI: 10.1038/sj.bjp.0706048
BindingDB Entry DOI: 10.7270/Q2XW4H0P
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50342601
PNG
(CHEMBL1255901 | Huperzine A)
Show SMILES C\C=C1/[C@@H]2Cc3[nH]c(=O)ccc3[C@]1(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+/t10-,15-/m0/s1
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n/an/a 45n/an/an/an/an/an/a



Mayo Clinic Jacksonville

Curated by ChEMBL


Assay Description
Compound was tested for its ability to inhibit the action of acetylcholinesterase isolated from rat brain cortex


J Med Chem 34: 3399-402 (1992)


Article DOI: 10.1021/jm00116a010
BindingDB Entry DOI: 10.7270/Q2TB17HH
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM9433
PNG
(CHEMBL1084367 | Heterodimeric Tacrine-Based Inhibi...)
Show SMILES CN(C)CCCCCCCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C25H39N3/c1-28(2)20-14-8-6-4-3-5-7-13-19-26-25-21-15-9-11-17-23(21)27-24-18-12-10-16-22(24)25/h9,11,15,17H,3-8,10,12-14,16,18-20H2,1-2H3,(H,26,27)
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n/an/a 45n/an/an/an/a7.437



Hong Kong University of Science and Technology



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


J Med Chem 42: 4225-31 (1999)


Article DOI: 10.1021/jm990224w
BindingDB Entry DOI: 10.7270/Q2W957CH
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM9431
PNG
(CHEMBL1084094 | Heterodimeric Tacrine-Based Inhibi...)
Show SMILES CN(C)CCCCCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C23H35N3/c1-26(2)18-12-6-4-3-5-11-17-24-23-19-13-7-9-15-21(19)25-22-16-10-8-14-20(22)23/h7,9,13,15H,3-6,8,10-12,14,16-18H2,1-2H3,(H,24,25)
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n/an/a 47n/an/an/an/a7.437



Hong Kong University of Science and Technology



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


J Med Chem 42: 4225-31 (1999)


Article DOI: 10.1021/jm990224w
BindingDB Entry DOI: 10.7270/Q2W957CH
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM9430
PNG
(CHEMBL1083791 | Heterodimeric Tacrine-Based Inhibi...)
Show SMILES CN(C)CCCCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C22H33N3/c1-25(2)17-11-5-3-4-10-16-23-22-18-12-6-8-14-20(18)24-21-15-9-7-13-19(21)22/h6,8,12,14H,3-5,7,9-11,13,15-17H2,1-2H3,(H,23,24)
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n/an/a 52n/an/an/an/a7.437



Hong Kong University of Science and Technology



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


J Med Chem 42: 4225-31 (1999)


Article DOI: 10.1021/jm990224w
BindingDB Entry DOI: 10.7270/Q2W957CH
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50366605
PNG
(CHEMBL1202836)
Show SMILES O=c1ccc2C(CCCc2[nH]1)NCCCCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C29H38N4O/c34-28-18-17-21-24(15-10-16-25(21)33-28)30-19-8-2-1-3-9-20-31-29-22-11-4-6-13-26(22)32-27-14-7-5-12-23(27)29/h4,6,11,13,17-18,24,30H,1-3,5,7-10,12,14-16,19-20H2,(H,31,32)(H,33,34)
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n/an/a 53n/an/an/an/an/an/a



Hong Kong University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibitory potency against acetylcholinesterase (AChE) of rat cortex homogenate with ethopropazine as BChE inhibitor


Bioorg Med Chem Lett 9: 2335-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00396-0
BindingDB Entry DOI: 10.7270/Q2PK0GPF
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM10446
PNG
(2-methyl-N-{9-[(2-methylquinolin-4-yl)amino]nonyl}...)
Show SMILES Cc1cc(NCCCCCCCCCNc2cc(C)nc3ccccc23)c2ccccc2n1
Show InChI InChI=1S/C29H36N4/c1-22-20-28(24-14-8-10-16-26(24)32-22)30-18-12-6-4-3-5-7-13-19-31-29-21-23(2)33-27-17-11-9-15-25(27)29/h8-11,14-17,20-21H,3-7,12-13,18-19H2,1-2H3,(H,30,32)(H,31,33)
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n/an/a 54.1n/an/an/an/a7.437



Hong Kong University of Science and Technology



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


Bioorg Med Chem 7: 2569-75 (1999)


Article DOI: 10.1021/cb700200w
BindingDB Entry DOI: 10.7270/Q22N50GZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM9432
PNG
(CHEMBL1084095 | Heterodimeric Tacrine-Based Inhibi...)
Show SMILES CN(C)CCCCCCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C24H37N3/c1-27(2)19-13-7-5-3-4-6-12-18-25-24-20-14-8-10-16-22(20)26-23-17-11-9-15-21(23)24/h8,10,14,16H,3-7,9,11-13,15,17-19H2,1-2H3,(H,25,26)
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n/an/a 71n/an/an/an/a7.437



Hong Kong University of Science and Technology



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


J Med Chem 42: 4225-31 (1999)


Article DOI: 10.1021/jm990224w
BindingDB Entry DOI: 10.7270/Q2W957CH
More data for this
Ligand-Target Pair
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)


(Rattus norvegicus (rat))
BDBM50342601
PNG
(CHEMBL1255901 | Huperzine A)
Show SMILES C\C=C1/[C@@H]2Cc3[nH]c(=O)ccc3[C@]1(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+/t10-,15-/m0/s1
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n/an/a 72n/an/an/an/an/an/a



Mayo Clinic Jacksonville

Curated by ChEMBL


Assay Description
Compound was tested for its ability to inhibit the action of acetylcholinesterase isolated from rat brain cortex


J Med Chem 34: 3399-402 (1992)


Article DOI: 10.1021/jm00116a010
BindingDB Entry DOI: 10.7270/Q2TB17HH
More data for this
Ligand-Target Pair
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)


(Rattus norvegicus (rat))
BDBM50080157
PNG
((RS)-tacrine(10)-hupyridone | 5-[10-(1,2,3,4-Tetra...)
Show SMILES O=c1ccc2C(CCCc2[nH]1)NCCCCCCCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C32H44N4O/c37-31-21-20-24-27(18-13-19-28(24)36-31)33-22-11-5-3-1-2-4-6-12-23-34-32-25-14-7-9-16-29(25)35-30-17-10-8-15-26(30)32/h7,9,14,16,20-21,27,33H,1-6,8,10-13,15,17-19,22-23H2,(H,34,35)(H,36,37)
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n/an/a 82n/an/an/an/an/an/a



Hong Kong University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibitory potency against rat serum Butyrylcholinesterase with BW284c51 as AChE inhibitor


Bioorg Med Chem Lett 9: 2335-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00396-0
BindingDB Entry DOI: 10.7270/Q2PK0GPF
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM9437
PNG
(CHEMBL1084530 | Heterodimeric Tacrine-Based Inhibi...)
Show SMILES C(CCCCNc1ccncc1)CCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C27H36N4/c1(2-4-10-18-29-22-16-20-28-21-17-22)3-5-11-19-30-27-23-12-6-8-14-25(23)31-26-15-9-7-13-24(26)27/h6,8,12,14,16-17,20-21H,1-5,7,9-11,13,15,18-19H2,(H,28,29)(H,30,31)
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n/an/a 83.6n/an/an/an/a7.437



Hong Kong University of Science and Technology



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


J Med Chem 42: 4225-31 (1999)


Article DOI: 10.1021/jm990224w
BindingDB Entry DOI: 10.7270/Q2W957CH
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM10452
PNG
(Bivalent 4-Aminoquinoline 9f | N,N-di-4-Quinolyl-1...)
Show SMILES C(CCCNc1ccnc2ccccc12)CCCNc1ccnc2ccccc12
Show InChI InChI=1S/C25H28N4/c1(2-8-16-26-24-14-18-28-22-12-6-4-10-20(22)24)3-9-17-27-25-15-19-29-23-13-7-5-11-21(23)25/h4-7,10-15,18-19H,1-3,8-9,16-17H2,(H,26,28)(H,27,29)
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n/an/a 87.8n/an/an/an/a7.437



Hong Kong University of Science and Technology



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


Bioorg Med Chem 7: 2569-75 (1999)


Article DOI: 10.1021/cb700200w
BindingDB Entry DOI: 10.7270/Q22N50GZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM9426
PNG
(CHEMBL258928 | Heterodimeric Tacrine-Based Inhibit...)
Show SMILES NCCCCCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C21H31N3/c22-15-9-3-1-2-4-10-16-23-21-17-11-5-7-13-19(17)24-20-14-8-6-12-18(20)21/h5,7,11,13H,1-4,6,8-10,12,14-16,22H2,(H,23,24)
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n/an/a 89.4n/an/an/an/a7.437



Hong Kong University of Science and Technology



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


J Med Chem 42: 4225-31 (1999)


Article DOI: 10.1021/jm990224w
BindingDB Entry DOI: 10.7270/Q2W957CH
More data for this
Ligand-Target Pair
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)


(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 92n/an/an/an/a7.437



Hong Kong University of Science and Technology



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


Bioorg Med Chem 7: 351-7 (1999)


Article DOI: 10.1016/j.bmc.2007.08.013
BindingDB Entry DOI: 10.7270/Q2T43R9Q
More data for this
Ligand-Target Pair
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)


(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 92n/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Inhibition of rat serum BuChE


J Med Chem 49: 5491-500 (2006)


Article DOI: 10.1021/jm060164b
BindingDB Entry DOI: 10.7270/Q2154GPX
More data for this
Ligand-Target Pair
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)


(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 92n/an/an/an/an/an/a



Hong Kong University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibitory potency against rat serum Butyrylcholinesterase with BW284c51 as AChE inhibitor


Bioorg Med Chem Lett 9: 2335-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00396-0
BindingDB Entry DOI: 10.7270/Q2PK0GPF
More data for this
Ligand-Target Pair
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)


(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 92n/an/an/an/an/an/a



Hong Kong University of Science and Technology



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


J Med Chem 42: 4225-31 (1999)


Article DOI: 10.1021/jm990224w
BindingDB Entry DOI: 10.7270/Q2W957CH
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM10453
PNG
(Bivalent 4-Aminoquinoline 9g | N-[8-(quinolin-4-yl...)
Show SMILES C(CCCCNc1ccnc2ccccc12)CCCNc1ccnc2ccccc12
Show InChI InChI=1S/C26H30N4/c1(3-9-17-27-25-15-19-29-23-13-7-5-11-21(23)25)2-4-10-18-28-26-16-20-30-24-14-8-6-12-22(24)26/h5-8,11-16,19-20H,1-4,9-10,17-18H2,(H,27,29)(H,28,30)
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n/an/a 94.3n/an/an/an/a7.437



Hong Kong University of Science and Technology



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


Bioorg Med Chem 7: 2569-75 (1999)


Article DOI: 10.1021/cb700200w
BindingDB Entry DOI: 10.7270/Q22N50GZ
More data for this
Ligand-Target Pair
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)


(Rattus norvegicus (rat))
BDBM10478
PNG
(A2A.2HCl | Bis-THA inhibitor 1 | CHEMBL213377 | N-...)
Show SMILES C(CNc1c2CCCCc2nc2ccccc12)Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C28H30N4/c1-5-13-23-19(9-1)27(20-10-2-6-14-24(20)31-23)29-17-18-30-28-21-11-3-7-15-25(21)32-26-16-8-4-12-22(26)28/h1,3,5,7,9,11,13,15H,2,4,6,8,10,12,14,16-18H2,(H,29,31)(H,30,32)
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n/an/a 102n/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Inhibition of rat serum BuChE


J Med Chem 49: 5491-500 (2006)


Article DOI: 10.1021/jm060164b
BindingDB Entry DOI: 10.7270/Q2154GPX
More data for this
Ligand-Target Pair
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)


(Rattus norvegicus (rat))
BDBM10478
PNG
(A2A.2HCl | Bis-THA inhibitor 1 | CHEMBL213377 | N-...)
Show SMILES C(CNc1c2CCCCc2nc2ccccc12)Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C28H30N4/c1-5-13-23-19(9-1)27(20-10-2-6-14-24(20)31-23)29-17-18-30-28-21-11-3-7-15-25(21)32-26-16-8-4-12-22(26)28/h1,3,5,7,9,11,13,15H,2,4,6,8,10,12,14,16-18H2,(H,29,31)(H,30,32)
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n/an/a 102n/an/an/an/a7.437



Hong Kong University of Science and Technology



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


Bioorg Med Chem 7: 351-7 (1999)


Article DOI: 10.1016/j.bmc.2007.08.013
BindingDB Entry DOI: 10.7270/Q2T43R9Q
More data for this
Ligand-Target Pair
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