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Compile Data Set for Download or QSAR

Found 171 hits with Last Name = 'wong' and Initial = 'dm'   
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
Cholinesterases


(Homo sapiens (Human))
BDBM50064505
PNG
(CHEMBL2288464)
Show SMILES CN(C)C(=O)Oc1cc(C)on1
Show InChI InChI=1S/C7H10N2O3/c1-5-4-6(8-12-5)11-7(10)9(2)3/h4H,1-3H3
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0.118n/an/an/an/an/an/an/an/a



Virginia Tech

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AChE


Bioorg Med Chem 23: 1321-40 (2015)


Article DOI: 10.1016/j.bmc.2015.01.026
BindingDB Entry DOI: 10.7270/Q2VD715T
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50064604
PNG
(CHEMBL3401237)
Show SMILES CN(C)C(=O)Oc1cc(CC(C)(C)C)on1
Show InChI InChI=1S/C11H18N2O3/c1-11(2,3)7-8-6-9(12-16-8)15-10(14)13(4)5/h6H,7H2,1-5H3
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0.440n/an/an/an/an/an/an/an/a



Virginia Tech

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AChE


Bioorg Med Chem 23: 1321-40 (2015)


Article DOI: 10.1016/j.bmc.2015.01.026
BindingDB Entry DOI: 10.7270/Q2VD715T
More data for this
Ligand-Target Pair
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 |r|
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)
Cholinesterases


(Homo sapiens (Human))
BDBM50064479
PNG
(CHEMBL3401207)
Show SMILES CN(C)C(=O)n1oc(C)cc1=O
Show InChI InChI=1S/C7H10N2O3/c1-5-4-6(10)9(12-5)7(11)8(2)3/h4H,1-3H3
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1.20n/an/an/an/an/an/an/an/a



Virginia Tech

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AChE


Bioorg Med Chem 23: 1321-40 (2015)


Article DOI: 10.1016/j.bmc.2015.01.026
BindingDB Entry DOI: 10.7270/Q2VD715T
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50064522
PNG
(CHEMBL3401235)
Show SMILES CC(C)Cc1cc(OC(=O)N(C)C)no1
Show InChI InChI=1S/C10H16N2O3/c1-7(2)5-8-6-9(11-15-8)14-10(13)12(3)4/h6-7H,5H2,1-4H3
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1.60n/an/an/an/an/an/an/an/a



Virginia Tech

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AChE


Bioorg Med Chem 23: 1321-40 (2015)


Article DOI: 10.1016/j.bmc.2015.01.026
BindingDB Entry DOI: 10.7270/Q2VD715T
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50124895
PNG
(CHEMBL3623568)
Show SMILES CC(=O)C(F)(F)CCC(C)(C)C
Show InChI InChI=1S/C9H16F2O/c1-7(12)9(10,11)6-5-8(2,3)4/h5-6H2,1-4H3
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1.60n/an/an/an/an/an/an/an/a



Virginia Tech

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE


Bioorg Med Chem Lett 25: 4405-11 (2015)


BindingDB Entry DOI: 10.7270/Q2Z60QV8
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50064615
PNG
(CHEMBL3403722)
Show SMILES CCCC(C)c1cc(OC(=O)N2CCCC2)no1
Show InChI InChI=1/C13H20N2O3/c1-3-6-10(2)11-9-12(14-18-11)17-13(16)15-7-4-5-8-15/h9-10H,3-8H2,1-2H3
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1.60n/an/an/an/an/an/an/an/a



Virginia Tech

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AChE


Bioorg Med Chem 23: 1321-40 (2015)


Article DOI: 10.1016/j.bmc.2015.01.026
BindingDB Entry DOI: 10.7270/Q2VD715T
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50064542
PNG
(CHEMBL3401236)
Show SMILES CCC(C)Cc1cc(OC(=O)N(C)C)no1
Show InChI InChI=1/C11H18N2O3/c1-5-8(2)6-9-7-10(12-16-9)15-11(14)13(3)4/h7-8H,5-6H2,1-4H3
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1.70n/an/an/an/an/an/an/an/a



Virginia Tech

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AChE


Bioorg Med Chem 23: 1321-40 (2015)


Article DOI: 10.1016/j.bmc.2015.01.026
BindingDB Entry DOI: 10.7270/Q2VD715T
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50064509
PNG
(CHEMBL3401229)
Show SMILES CN(C)C(=O)Oc1cc(on1)C1CCC1
Show InChI InChI=1S/C10H14N2O3/c1-12(2)10(13)14-9-6-8(15-11-9)7-4-3-5-7/h6-7H,3-5H2,1-2H3
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1.90n/an/an/an/an/an/an/an/a



Virginia Tech

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AChE


Bioorg Med Chem 23: 1321-40 (2015)


Article DOI: 10.1016/j.bmc.2015.01.026
BindingDB Entry DOI: 10.7270/Q2VD715T
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50064605
PNG
(CHEMBL3401238)
Show SMILES CC(C)CCc1cc(OC(=O)N(C)C)no1
Show InChI InChI=1S/C11H18N2O3/c1-8(2)5-6-9-7-10(12-16-9)15-11(14)13(3)4/h7-8H,5-6H2,1-4H3
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1.90n/an/an/an/an/an/an/an/a



Virginia Tech

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AChE


Bioorg Med Chem 23: 1321-40 (2015)


Article DOI: 10.1016/j.bmc.2015.01.026
BindingDB Entry DOI: 10.7270/Q2VD715T
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50064507
PNG
(CHEMBL3401227)
Show SMILES CN(C)C(=O)Oc1cc(on1)C1CC1
Show InChI InChI=1S/C9H12N2O3/c1-11(2)9(12)13-8-5-7(14-10-8)6-3-4-6/h5-6H,3-4H2,1-2H3
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2n/an/an/an/an/an/an/an/a



Virginia Tech

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AChE


Bioorg Med Chem 23: 1321-40 (2015)


Article DOI: 10.1016/j.bmc.2015.01.026
BindingDB Entry DOI: 10.7270/Q2VD715T
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50064514
PNG
(CHEMBL3401234)
Show SMILES CCCCC(CC)c1cc(OC(=O)N(C)C)no1
Show InChI InChI=1/C13H22N2O3/c1-5-7-8-10(6-2)11-9-12(14-18-11)17-13(16)15(3)4/h9-10H,5-8H2,1-4H3
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2.10n/an/an/an/an/an/an/an/a



Virginia Tech

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AChE


Bioorg Med Chem 23: 1321-40 (2015)


Article DOI: 10.1016/j.bmc.2015.01.026
BindingDB Entry DOI: 10.7270/Q2VD715T
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50064616
PNG
(CHEMBL3403723)
Show SMILES CCCC(C)c1cc(OC(=O)N2CCOCC2)no1
Show InChI InChI=1/C13H20N2O4/c1-3-4-10(2)11-9-12(14-19-11)18-13(16)15-5-7-17-8-6-15/h9-10H,3-8H2,1-2H3
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2.70n/an/an/an/an/an/an/an/a



Virginia Tech

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AChE


Bioorg Med Chem 23: 1321-40 (2015)


Article DOI: 10.1016/j.bmc.2015.01.026
BindingDB Entry DOI: 10.7270/Q2VD715T
More data for this
Ligand-Target Pair
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 |r|
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)
Cholinesterases


(Homo sapiens (Human))
BDBM50064508
PNG
(CHEMBL3401228)
Show SMILES CC(C)c1cc(OC(=O)N(C)C)no1
Show InChI InChI=1S/C9H14N2O3/c1-6(2)7-5-8(10-14-7)13-9(12)11(3)4/h5-6H,1-4H3
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4.5n/an/an/an/an/an/an/an/a



Virginia Tech

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AChE


Bioorg Med Chem 23: 1321-40 (2015)


Article DOI: 10.1016/j.bmc.2015.01.026
BindingDB Entry DOI: 10.7270/Q2VD715T
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50064511
PNG
(CHEMBL3401231)
Show SMILES CN(C)C(=O)Oc1cc(on1)C1CCCC1
Show InChI InChI=1S/C11H16N2O3/c1-13(2)11(14)15-10-7-9(16-12-10)8-5-3-4-6-8/h7-8H,3-6H2,1-2H3
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4.60n/an/an/an/an/an/an/an/a



Virginia Tech

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AChE


Bioorg Med Chem 23: 1321-40 (2015)


Article DOI: 10.1016/j.bmc.2015.01.026
BindingDB Entry DOI: 10.7270/Q2VD715T
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50064478
PNG
(ALDICARB)
Show SMILES CNC(=O)O\N=C\C(C)(C)SC
Show InChI InChI=1S/C7H14N2O2S/c1-7(2,12-4)5-9-11-6(10)8-3/h5H,1-4H3,(H,8,10)/b9-5+
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6.5n/an/an/an/an/an/an/an/a



Virginia Tech

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AChE


Bioorg Med Chem 23: 1321-40 (2015)


Article DOI: 10.1016/j.bmc.2015.01.026
BindingDB Entry DOI: 10.7270/Q2VD715T
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50064607
PNG
(CHEMBL3401240)
Show SMILES CN(C)C(=O)Oc1cc(CCC2CCC2)on1
Show InChI InChI=1S/C12H18N2O3/c1-14(2)12(15)16-11-8-10(17-13-11)7-6-9-4-3-5-9/h8-9H,3-7H2,1-2H3
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7.20n/an/an/an/an/an/an/an/a



Virginia Tech

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AChE


Bioorg Med Chem 23: 1321-40 (2015)


Article DOI: 10.1016/j.bmc.2015.01.026
BindingDB Entry DOI: 10.7270/Q2VD715T
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50064606
PNG
(CHEMBL3401239)
Show SMILES CN(C)C(=O)Oc1cc(CCC2CC2)on1
Show InChI InChI=1S/C11H16N2O3/c1-13(2)11(14)15-10-7-9(16-12-10)6-5-8-3-4-8/h7-8H,3-6H2,1-2H3
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8.30n/an/an/an/an/an/an/an/a



Virginia Tech

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AChE


Bioorg Med Chem 23: 1321-40 (2015)


Article DOI: 10.1016/j.bmc.2015.01.026
BindingDB Entry DOI: 10.7270/Q2VD715T
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50064513
PNG
(CHEMBL3401233)
Show SMILES CCC(CC)c1cc(OC(=O)N(C)C)no1
Show InChI InChI=1S/C11H18N2O3/c1-5-8(6-2)9-7-10(12-16-9)15-11(14)13(3)4/h7-8H,5-6H2,1-4H3
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9n/an/an/an/an/an/an/an/a



Virginia Tech

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AChE


Bioorg Med Chem 23: 1321-40 (2015)


Article DOI: 10.1016/j.bmc.2015.01.026
BindingDB Entry DOI: 10.7270/Q2VD715T
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50064611
PNG
(CHEMBL3403721)
Show SMILES CCCC(C)c1cc(OC(=O)N(C)CC)no1
Show InChI InChI=1/C12H20N2O3/c1-5-7-9(3)10-8-11(13-17-10)16-12(15)14(4)6-2/h8-9H,5-7H2,1-4H3
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9.10n/an/an/an/an/an/an/an/a



Virginia Tech

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AChE


Bioorg Med Chem 23: 1321-40 (2015)


Article DOI: 10.1016/j.bmc.2015.01.026
BindingDB Entry DOI: 10.7270/Q2VD715T
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50064608
PNG
(CHEMBL3403720)
Show SMILES CN(C)C(=O)Oc1cc(CCC2CCCC2)on1
Show InChI InChI=1S/C13H20N2O3/c1-15(2)13(16)17-12-9-11(18-14-12)8-7-10-5-3-4-6-10/h9-10H,3-8H2,1-2H3
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13n/an/an/an/an/an/an/an/a



Virginia Tech

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AChE


Bioorg Med Chem 23: 1321-40 (2015)


Article DOI: 10.1016/j.bmc.2015.01.026
BindingDB Entry DOI: 10.7270/Q2VD715T
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50064617
PNG
(CHEBI:34938 | PROPOXUR | Propoxur)
Show SMILES CNC(=O)Oc1ccccc1OC(C)C
Show InChI InChI=1S/C11H15NO3/c1-8(2)14-9-6-4-5-7-10(9)15-11(13)12-3/h4-8H,1-3H3,(H,12,13)
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17n/an/an/an/an/an/an/an/a



Virginia Tech

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AChE


Bioorg Med Chem 23: 1321-40 (2015)


Article DOI: 10.1016/j.bmc.2015.01.026
BindingDB Entry DOI: 10.7270/Q2VD715T
More data for this
Ligand-Target Pair
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 |r|
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
Cholinesterases


(Homo sapiens (Human))
BDBM50064490
PNG
(CHEMBL3401217)
Show SMILES CN(C)C(=O)n1oc(CC(C)(C)C)cc1=O
Show InChI InChI=1S/C11H18N2O3/c1-11(2,3)7-8-6-9(14)13(16-8)10(15)12(4)5/h6H,7H2,1-5H3
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26n/an/an/an/an/an/an/an/a



Virginia Tech

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AChE


Bioorg Med Chem 23: 1321-40 (2015)


Article DOI: 10.1016/j.bmc.2015.01.026
BindingDB Entry DOI: 10.7270/Q2VD715T
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50064504
PNG
(CHEMBL3401226)
Show SMILES CCCC(C)c1cc(=O)n(o1)C(=O)N1CCOCC1
Show InChI InChI=1/C13H20N2O4/c1-3-4-10(2)11-9-12(16)15(19-11)13(17)14-5-7-18-8-6-14/h9-10H,3-8H2,1-2H3
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26n/an/an/an/an/an/an/an/a



Virginia Tech

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AChE


Bioorg Med Chem 23: 1321-40 (2015)


Article DOI: 10.1016/j.bmc.2015.01.026
BindingDB Entry DOI: 10.7270/Q2VD715T
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50064488
PNG
(CHEMBL3401215)
Show SMILES CC(C)Cc1cc(=O)n(o1)C(=O)N(C)C
Show InChI InChI=1S/C10H16N2O3/c1-7(2)5-8-6-9(13)12(15-8)10(14)11(3)4/h6-7H,5H2,1-4H3
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31n/an/an/an/an/an/an/an/a



Virginia Tech

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AChE


Bioorg Med Chem 23: 1321-40 (2015)


Article DOI: 10.1016/j.bmc.2015.01.026
BindingDB Entry DOI: 10.7270/Q2VD715T
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 |c:18,TLB:10:11:2:17.15.14,THB:1:2:4.5.11:17.15.14|
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
Cholinesterases


(Homo sapiens (Human))
BDBM50064512
PNG
(CHEMBL3401232)
Show SMILES CCCC(C)c1cc(OC(=O)N(C)C)no1
Show InChI InChI=1/C11H18N2O3/c1-5-6-8(2)9-7-10(12-16-9)15-11(14)13(3)4/h7-8H,5-6H2,1-4H3
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51n/an/an/an/an/an/an/an/a



Virginia Tech

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AChE


Bioorg Med Chem 23: 1321-40 (2015)


Article DOI: 10.1016/j.bmc.2015.01.026
BindingDB Entry DOI: 10.7270/Q2VD715T
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50064510
PNG
(CHEMBL3401230)
Show SMILES CCC(C)c1cc(OC(=O)N(C)C)no1
Show InChI InChI=1/C10H16N2O3/c1-5-7(2)8-6-9(11-15-8)14-10(13)12(3)4/h6-7H,5H2,1-4H3
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60n/an/an/an/an/an/an/an/a



Virginia Tech

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AChE


Bioorg Med Chem 23: 1321-40 (2015)


Article DOI: 10.1016/j.bmc.2015.01.026
BindingDB Entry DOI: 10.7270/Q2VD715T
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50064493
PNG
(CHEMBL3401220)
Show SMILES CN(C)C(=O)n1oc(CCC2CCC2)cc1=O
Show InChI InChI=1S/C12H18N2O3/c1-13(2)12(16)14-11(15)8-10(17-14)7-6-9-4-3-5-9/h8-9H,3-7H2,1-2H3
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75n/an/an/an/an/an/an/an/a



Virginia Tech

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AChE


Bioorg Med Chem 23: 1321-40 (2015)


Article DOI: 10.1016/j.bmc.2015.01.026
BindingDB Entry DOI: 10.7270/Q2VD715T
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50064491
PNG
(CHEMBL3401218)
Show SMILES CC(C)CCc1cc(=O)n(o1)C(=O)N(C)C
Show InChI InChI=1S/C11H18N2O3/c1-8(2)5-6-9-7-10(14)13(16-9)11(15)12(3)4/h7-8H,5-6H2,1-4H3
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81n/an/an/an/an/an/an/an/a



Virginia Tech

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AChE


Bioorg Med Chem 23: 1321-40 (2015)


Article DOI: 10.1016/j.bmc.2015.01.026
BindingDB Entry DOI: 10.7270/Q2VD715T
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50064496
PNG
(CHEMBL3401221)
Show SMILES CN(C)C(=O)n1oc(CCC2CCCC2)cc1=O
Show InChI InChI=1S/C13H20N2O3/c1-14(2)13(17)15-12(16)9-11(18-15)8-7-10-5-3-4-6-10/h9-10H,3-8H2,1-2H3
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92n/an/an/an/an/an/an/an/a



Virginia Tech

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AChE


Bioorg Med Chem 23: 1321-40 (2015)


Article DOI: 10.1016/j.bmc.2015.01.026
BindingDB Entry DOI: 10.7270/Q2VD715T
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50064480
PNG
(CHEMBL3401208)
Show SMILES CN(C)C(=O)n1oc(cc1=O)C1CC1
Show InChI InChI=1S/C9H12N2O3/c1-10(2)9(13)11-8(12)5-7(14-11)6-3-4-6/h5-6H,3-4H2,1-2H3
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103n/an/an/an/an/an/an/an/a



Virginia Tech

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AChE


Bioorg Med Chem 23: 1321-40 (2015)


Article DOI: 10.1016/j.bmc.2015.01.026
BindingDB Entry DOI: 10.7270/Q2VD715T
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50064618
PNG
(BENDIOCARB | Bendiocarb | CHEBI:34556)
Show SMILES CNC(=O)Oc1cccc2OC(C)(C)Oc12
Show InChI InChI=1S/C11H13NO4/c1-11(2)15-8-6-4-5-7(9(8)16-11)14-10(13)12-3/h4-6H,1-3H3,(H,12,13)
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111n/an/an/an/an/an/an/an/a



Virginia Tech

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AChE


Bioorg Med Chem 23: 1321-40 (2015)


Article DOI: 10.1016/j.bmc.2015.01.026
BindingDB Entry DOI: 10.7270/Q2VD715T
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50064489
PNG
(CHEMBL3401216)
Show SMILES CCC(C)Cc1cc(=O)n(o1)C(=O)N(C)C
Show InChI InChI=1/C11H18N2O3/c1-5-8(2)6-9-7-10(14)13(16-9)11(15)12(3)4/h7-8H,5-6H2,1-4H3
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112n/an/an/an/an/an/an/an/a



Virginia Tech

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AChE


Bioorg Med Chem 23: 1321-40 (2015)


Article DOI: 10.1016/j.bmc.2015.01.026
BindingDB Entry DOI: 10.7270/Q2VD715T
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50064476
PNG
(3-Tert-Butylphenyl Methylcarbamate | CHEMBL2046821)
Show SMILES CNC(=O)Oc1cccc(c1)C(C)(C)C
Show InChI InChI=1S/C12H17NO2/c1-12(2,3)9-6-5-7-10(8-9)15-11(14)13-4/h5-8H,1-4H3,(H,13,14)
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126n/an/an/an/an/an/an/an/a



Virginia Tech

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AChE


Bioorg Med Chem 23: 1321-40 (2015)


Article DOI: 10.1016/j.bmc.2015.01.026
BindingDB Entry DOI: 10.7270/Q2VD715T
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50064492
PNG
(CHEMBL3401219)
Show SMILES CN(C)C(=O)n1oc(CCC2CC2)cc1=O
Show InChI InChI=1S/C11H16N2O3/c1-12(2)11(15)13-10(14)7-9(16-13)6-5-8-3-4-8/h7-8H,3-6H2,1-2H3
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144n/an/an/an/an/an/an/an/a



Virginia Tech

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AChE


Bioorg Med Chem 23: 1321-40 (2015)


Article DOI: 10.1016/j.bmc.2015.01.026
BindingDB Entry DOI: 10.7270/Q2VD715T
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 |c:18,TLB:10:11:2:17.15.14,THB:1:2:4.5.11:17.15.14|
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
3D
3D Structure (crystal)
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 |c:18,TLB:10:11:2:17.15.14,THB:1:2:4.5.11:17.15.14|
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
3D
3D Structure (crystal)
Cholinesterases


(Homo sapiens (Human))
BDBM50064502
PNG
(CHEMBL3401224)
Show SMILES CCCC(C)c1cc(=O)n(o1)C(=O)N(CC)CC
Show InChI InChI=1/C13H22N2O3/c1-5-8-10(4)11-9-12(16)15(18-11)13(17)14(6-2)7-3/h9-10H,5-8H2,1-4H3
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180n/an/an/an/an/an/an/an/a



Virginia Tech

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AChE


Bioorg Med Chem 23: 1321-40 (2015)


Article DOI: 10.1016/j.bmc.2015.01.026
BindingDB Entry DOI: 10.7270/Q2VD715T
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50064483
PNG
(CHEMBL3401210)
Show SMILES CN(C)C(=O)n1oc(cc1=O)C1CCC1
Show InChI InChI=1S/C10H14N2O3/c1-11(2)10(14)12-9(13)6-8(15-12)7-4-3-5-7/h6-7H,3-5H2,1-2H3
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233n/an/an/an/an/an/an/an/a



Virginia Tech

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AChE


Bioorg Med Chem 23: 1321-40 (2015)


Article DOI: 10.1016/j.bmc.2015.01.026
BindingDB Entry DOI: 10.7270/Q2VD715T
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 |r,t:1,TLB:17:18:4.5.11:2.1.13,THB:10:11:18:2.1.13|
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
3D
3D Structure (crystal)
Cholinesterases


(Homo sapiens (Human))
BDBM50064503
PNG
(CHEMBL3401225)
Show SMILES CCCC(C)c1cc(=O)n(o1)C(=O)N1CCCC1
Show InChI InChI=1/C13H20N2O3/c1-3-6-10(2)11-9-12(16)15(18-11)13(17)14-7-4-5-8-14/h9-10H,3-8H2,1-2H3
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379n/an/an/an/an/an/an/an/a



Virginia Tech

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AChE


Bioorg Med Chem 23: 1321-40 (2015)


Article DOI: 10.1016/j.bmc.2015.01.026
BindingDB Entry DOI: 10.7270/Q2VD715T
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50064619
PNG
(CARBOFURAN | CHEBI:34611 | Carbofuran | Furadan)
Show SMILES CNC(=O)Oc1cccc2CC(C)(C)Oc12
Show InChI InChI=1S/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)
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428n/an/an/an/an/an/an/an/a



Virginia Tech

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AChE


Bioorg Med Chem 23: 1321-40 (2015)


Article DOI: 10.1016/j.bmc.2015.01.026
BindingDB Entry DOI: 10.7270/Q2VD715T
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50064481
PNG
(CHEMBL3401209)
Show SMILES CC(C)c1cc(=O)n(o1)C(=O)N(C)C
Show InChI InChI=1S/C9H14N2O3/c1-6(2)7-5-8(12)11(14-7)9(13)10(3)4/h5-6H,1-4H3
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561n/an/an/an/an/an/an/an/a



Virginia Tech

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AChE


Bioorg Med Chem 23: 1321-40 (2015)


Article DOI: 10.1016/j.bmc.2015.01.026
BindingDB Entry DOI: 10.7270/Q2VD715T
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50064485
PNG
(CHEMBL3401212)
Show SMILES CN(C)C(=O)n1oc(cc1=O)C1CCCC1
Show InChI InChI=1S/C11H16N2O3/c1-12(2)11(15)13-10(14)7-9(16-13)8-5-3-4-6-8/h7-8H,3-6H2,1-2H3
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677n/an/an/an/an/an/an/an/a



Virginia Tech

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AChE


Bioorg Med Chem 23: 1321-40 (2015)


Article DOI: 10.1016/j.bmc.2015.01.026
BindingDB Entry DOI: 10.7270/Q2VD715T
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50064477
PNG
(CHEMBL3401206)
Show SMILES CCC(C)n1cc(OC(=O)NC)cn1
Show InChI InChI=1/C9H15N3O2/c1-4-7(2)12-6-8(5-11-12)14-9(13)10-3/h5-7H,4H2,1-3H3,(H,10,13)
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805n/an/an/an/an/an/an/an/a



Virginia Tech

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AChE


Bioorg Med Chem 23: 1321-40 (2015)


Article DOI: 10.1016/j.bmc.2015.01.026
BindingDB Entry DOI: 10.7270/Q2VD715T
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50064501
PNG
(CHEMBL3401223)
Show SMILES CCCC(C)c1cc(=O)n(o1)C(=O)N(C)CC
Show InChI InChI=1/C12H20N2O3/c1-5-7-9(3)10-8-11(15)14(17-10)12(16)13(4)6-2/h8-9H,5-7H2,1-4H3
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1.08E+3n/an/an/an/an/an/an/an/a



Virginia Tech

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AChE


Bioorg Med Chem 23: 1321-40 (2015)


Article DOI: 10.1016/j.bmc.2015.01.026
BindingDB Entry DOI: 10.7270/Q2VD715T
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50064499
PNG
(CHEMBL3401222)
Show SMILES CCCC(C)c1cc(=O)n(o1)C(=O)N1CCC1
Show InChI InChI=1/C12H18N2O3/c1-3-5-9(2)10-8-11(15)14(17-10)12(16)13-6-4-7-13/h8-9H,3-7H2,1-2H3
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1.86E+3n/an/an/an/an/an/an/an/a



Virginia Tech

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AChE


Bioorg Med Chem 23: 1321-40 (2015)


Article DOI: 10.1016/j.bmc.2015.01.026
BindingDB Entry DOI: 10.7270/Q2VD715T
More data for this
Ligand-Target Pair
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