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Compile Data Set for Download or QSAR

Found 55 hits of kon for UniProtKB: P22303   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50027340
PNG
(FENAMIPHOS)
Show SMILES CCOP(O)(=O)N(C(C)C)c1ccc(SC)c(C)c1
Show InChI InChI=1S/C13H22NO3PS/c1-6-17-18(15,16)14(10(2)3)12-7-8-13(19-5)11(4)9-12/h7-10H,6H2,1-5H3,(H,15,16)
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n/an/an/an/an/an/a 0.330n/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Inhibition of human AChE


J Med Chem 51: 3154-70 (2008)


Article DOI: 10.1021/jm701253t
BindingDB Entry DOI: 10.7270/Q22Z16D4
More data for this
Ligand-Target Pair
Acetylcholinesterase


(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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n/an/an/an/an/an/a 1.97n/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


(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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n/an/an/an/an/an/a 7.33n/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


(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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n/an/an/an/an/an/a 20.3n/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


(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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n/an/an/an/an/an/a 26.5n/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


(Homo sapiens (Human))
BDBM50064615
PNG
(CHEMBL3403722)
Show SMILES CCCC(C)c1cc(OC(=O)N2CCCC2)no1
Show InChI InChI=1S/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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n/an/an/an/an/an/a 27n/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


(Homo sapiens (Human))
BDBM50064542
PNG
(CHEMBL3401236)
Show SMILES CCC(C)Cc1cc(OC(=O)N(C)C)no1
Show InChI InChI=1S/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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n/an/an/an/an/an/a 28.3n/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


(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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n/an/an/an/an/an/a 31n/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


(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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n/an/an/an/an/an/a 31.8n/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


(Homo sapiens (Human))
BDBM50027341
PNG
(CHEBI:38721 | METHAMIDOPHOS)
Show SMILES COP(N)(=O)SC
Show InChI InChI=1S/C2H8NO2PS/c1-5-6(3,4)7-2/h1-2H3,(H2,3,4)
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n/an/an/an/an/an/a 32n/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Inhibition of human AChE


J Med Chem 51: 3154-70 (2008)


Article DOI: 10.1021/jm701253t
BindingDB Entry DOI: 10.7270/Q22Z16D4
More data for this
Ligand-Target Pair
Acetylcholinesterase


(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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n/an/an/an/an/an/a 33.7n/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


(Homo sapiens (Human))
BDBM50064514
PNG
(CHEMBL3401234)
Show SMILES CCCCC(CC)c1cc(OC(=O)N(C)C)no1
Show InChI InChI=1S/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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n/an/an/an/an/an/a 35.5n/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


(Homo sapiens (Human))
BDBM50064616
PNG
(CHEMBL3403723)
Show SMILES CCCC(C)c1cc(OC(=O)N2CCOCC2)no1
Show InChI InChI=1S/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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n/an/an/an/an/an/a 44.7n/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


(Homo sapiens (Human))
BDBM10620
PNG
((S)-3-(1-(dimethylamino)ethyl)phenyl ethyl(methyl)...)
Show SMILES [H][C@@](C)(N(C)C)c1cccc(OC(=O)N(C)CC)c1
Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
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n/an/an/an/an/an/a 55n/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Inhibition of human AChE assessed as carbamylation


J Med Chem 51: 3154-70 (2008)


Article DOI: 10.1021/jm701253t
BindingDB Entry DOI: 10.7270/Q22Z16D4
More data for this
Ligand-Target Pair
Acetylcholinesterase


(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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n/an/an/an/an/an/a 74.3n/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


(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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n/an/an/an/an/an/a 77n/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


(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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n/an/an/an/an/an/a 108n/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


(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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n/an/an/an/an/an/a 121n/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


(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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n/an/an/an/an/an/a 138n/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


(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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n/an/an/an/an/an/a 151n/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


(Homo sapiens (Human))
BDBM50064611
PNG
(CHEMBL3403721)
Show SMILES CCCC(C)c1cc(OC(=O)N(C)CC)no1
Show InChI InChI=1S/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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n/an/an/an/an/an/a 152n/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


(Homo sapiens (Human))
BDBM50490821
PNG
(2-Fluoroethyl 4-Nitrophenyl Ethylphosphonate | CHE...)
Show SMILES CCP(=O)(OCCF)Oc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C10H13FNO5P/c1-2-18(15,16-8-7-11)17-10-5-3-9(4-6-10)12(13)14/h3-6H,2,7-8H2,1H3
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n/an/an/an/an/an/a 167n/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE by time-dependent inhibition assay


Bioorg Med Chem Lett 23: 2048-51 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.010
BindingDB Entry DOI: 10.7270/Q2VH5RSV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(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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n/an/an/an/an/an/a 218n/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


(Homo sapiens (Human))
BDBM50490822
PNG
(2-Fluoroethyl 4-Nitrophenyl Methylphosphonate | CH...)
Show SMILES CP(=O)(OCCF)Oc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C9H11FNO5P/c1-17(14,15-7-6-10)16-9-4-2-8(3-5-9)11(12)13/h2-5H,6-7H2,1H3
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n/an/an/an/an/an/a 233n/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE by time-dependent inhibition assay


Bioorg Med Chem Lett 23: 2048-51 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.010
BindingDB Entry DOI: 10.7270/Q2VH5RSV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50064617
PNG
(CHEBI:34938 | 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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n/an/an/an/an/an/a 283n/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


(Homo sapiens (Human))
BDBM50064504
PNG
(CHEMBL3401226)
Show SMILES CCCC(C)c1cc(=O)n(o1)C(=O)N1CCOCC1
Show InChI InChI=1S/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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n/an/an/an/an/an/a 433n/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


(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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n/an/an/an/an/an/a 437n/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


(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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n/an/an/an/an/an/a 515n/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


(Homo sapiens (Human))
BDBM50064512
PNG
(CHEMBL3401232)
Show SMILES CCCC(C)c1cc(OC(=O)N(C)C)no1
Show InChI InChI=1S/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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n/an/an/an/an/an/a 848n/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


(Homo sapiens (Human))
BDBM50064510
PNG
(CHEMBL3401230)
Show SMILES CCC(C)c1cc(OC(=O)N(C)C)no1
Show InChI InChI=1S/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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n/an/an/an/an/an/a 1.00E+3n/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


(Homo sapiens (Human))
BDBM50490821
PNG
(2-Fluoroethyl 4-Nitrophenyl Ethylphosphonate | CHE...)
Show SMILES CCP(=O)(OCCF)Oc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C10H13FNO5P/c1-2-18(15,16-8-7-11)17-10-5-3-9(4-6-10)12(13)14/h3-6H,2,7-8H2,1H3
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n/an/an/an/an/an/a 1.03E+3n/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE by concentration-dependent inhibition assay


Bioorg Med Chem Lett 23: 2048-51 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.010
BindingDB Entry DOI: 10.7270/Q2VH5RSV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(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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n/an/an/an/an/an/a 1.24E+3n/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


(Homo sapiens (Human))
BDBM50490822
PNG
(2-Fluoroethyl 4-Nitrophenyl Methylphosphonate | CH...)
Show SMILES CP(=O)(OCCF)Oc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C9H11FNO5P/c1-17(14,15-7-6-10)16-9-4-2-8(3-5-9)11(12)13/h2-5H,6-7H2,1H3
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n/an/an/an/an/an/a 1.25E+3n/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE by concentration-dependent inhibition assay


Bioorg Med Chem Lett 23: 2048-51 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.010
BindingDB Entry DOI: 10.7270/Q2VH5RSV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(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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n/an/an/an/an/an/a 1.35E+3n/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


(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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n/an/an/an/an/an/a 1.53E+3n/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


(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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n/an/an/an/an/an/a 1.72E+3n/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


(Homo sapiens (Human))
BDBM50064618
PNG
(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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n/an/an/an/an/an/a 1.85E+3n/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


(Homo sapiens (Human))
BDBM50064489
PNG
(CHEMBL3401216)
Show SMILES CCC(C)Cc1cc(=O)n(o1)C(=O)N(C)C
Show InChI InChI=1S/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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n/an/an/an/an/an/a 1.87E+3n/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


(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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n/an/an/an/an/an/a 2.10E+3n/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


(Homo sapiens (Human))
BDBM50022772
PNG
(CHEMBL1025 | Diisopropoxyphosphoryl fluoride | Dii...)
Show SMILES CC(C)OP(F)(=O)OC(C)C
Show InChI InChI=1S/C6H14FO3P/c1-5(2)9-11(7,8)10-6(3)4/h5-6H,1-4H3
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n/an/an/an/an/an/a 2.17E+3n/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Inhibition of human AChE


J Med Chem 51: 3154-70 (2008)


Article DOI: 10.1021/jm701253t
BindingDB Entry DOI: 10.7270/Q22Z16D4
More data for this
Ligand-Target Pair
Acetylcholinesterase


(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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n/an/an/an/an/an/a 2.40E+3n/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


(Homo sapiens (Human))
BDBM50064502
PNG
(CHEMBL3401224)
Show SMILES CCCC(C)c1cc(=O)n(o1)C(=O)N(CC)CC
Show InChI InChI=1S/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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n/an/an/an/an/an/a 3.00E+3n/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


(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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n/an/an/an/an/an/a 3.88E+3n/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


(Homo sapiens (Human))
BDBM50064503
PNG
(CHEMBL3401225)
Show SMILES CCCC(C)c1cc(=O)n(o1)C(=O)N1CCCC1
Show InChI InChI=1S/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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n/an/an/an/an/an/a 6.32E+3n/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


(Homo sapiens (Human))
BDBM50064619
PNG
(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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n/an/an/an/an/an/a 7.13E+3n/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


(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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n/an/an/an/an/an/a 9.35E+3n/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


(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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n/an/an/an/an/an/a 1.13E+4n/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


(Homo sapiens (Human))
BDBM50064477
PNG
(CHEMBL3401206)
Show SMILES CCC(C)n1cc(OC(=O)NC)cn1
Show InChI InChI=1S/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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n/an/an/an/an/an/a 1.34E+4n/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


(Homo sapiens (Human))
BDBM50064501
PNG
(CHEMBL3401223)
Show SMILES CCCC(C)c1cc(=O)n(o1)C(=O)N(C)CC
Show InChI InChI=1S/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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n/an/an/an/an/an/a 1.80E+4n/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


(Homo sapiens (Human))
BDBM50064499
PNG
(CHEMBL3401222)
Show SMILES CCCC(C)c1cc(=O)n(o1)C(=O)N1CCC1
Show InChI InChI=1S/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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PubMed
n/an/an/an/an/an/a 3.10E+4n/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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