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Compile Data Set for Download or QSAR

Found 81 hits of kon data for polymerid = 1043,1045,1048,1063,1064,1125,3619,3621,3974,3975,4408,49001205,49001206,4933,50000090   
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


(Bos taurus (bovine))
BDBM50093799
PNG
((R)-1-Amino-13-eth-(E)-ylidene-8,8,11-trimethyl-6-...)
Show SMILES C\C=C1/C2C=C(C)C[C@]1(N)c1ccc(=O)[nH]c1C2(C)C |t:4,TLB:11:10:2:4.7.5,THB:15:16:2:4.7.5|
Show InChI InChI=1S/C17H22N2O/c1-5-11-13-8-10(2)9-17(11,18)12-6-7-14(20)19-15(12)16(13,3)4/h5-8,13H,9,18H2,1-4H3,(H,19,20)/b11-5+/t13?,17-/m1/s1
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n/an/an/an/an/an/a 0.0130n/an/a



TBA

Curated by ChEMBL


Assay Description
Dissociation constant for the inhibition of fetal bovine serum acetylcholinesterase was determined..


Bioorg Med Chem Lett 6: 259-262 (1996)


Article DOI: 10.1016/0960-894X(96)00012-1
BindingDB Entry DOI: 10.7270/Q2R49R8X
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50342601
PNG
(CHEMBL1255901 | Huperzine A)
Show SMILES C\C=C1/[C@@H]2Cc3[nH]c(=O)ccc3[C@]1(N)CC(C)=C2 |r,c:18,TLB:1:2:11.5.4:17.14.15|
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/an/an/an/a 0.000367 0.0155n/an/a



TBA

Curated by ChEMBL


Assay Description
Dissociation constant for the inhibition of fetal bovine serum acetylcholinesterase was determined..


Bioorg Med Chem Lett 6: 259-262 (1996)


Article DOI: 10.1016/0960-894X(96)00012-1
BindingDB Entry DOI: 10.7270/Q2R49R8X
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50342601
PNG
(CHEMBL1255901 | Huperzine A)
Show SMILES C\C=C1/[C@@H]2Cc3[nH]c(=O)ccc3[C@]1(N)CC(C)=C2 |r,c:18,TLB:1:2:11.5.4:17.14.15|
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/an/an/an/an/a 0.0567n/an/a



TBA

Curated by ChEMBL


Assay Description
Kinetic constant for inhibition of fetal bovine serum acetylcholinesterase


Bioorg Med Chem Lett 6: 259-262 (1996)


Article DOI: 10.1016/0960-894X(96)00012-1
BindingDB Entry DOI: 10.7270/Q2R49R8X
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50342601
PNG
(CHEMBL1255901 | Huperzine A)
Show SMILES C\C=C1/[C@@H]2Cc3[nH]c(=O)ccc3[C@]1(N)CC(C)=C2 |r,c:18,TLB:1:2:11.5.4:17.14.15|
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/an/an/an/an/a 0.0570n/an/a



TBA

Curated by ChEMBL


Assay Description
Kinetic constant for inhibition of fetal bovine serum acetylcholinesterase


Bioorg Med Chem Lett 6: 259-262 (1996)


Article DOI: 10.1016/0960-894X(96)00012-1
BindingDB Entry DOI: 10.7270/Q2R49R8X
More data for this
Ligand-Target Pair
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


(Electrophorus electricus (Electric eel))
BDBM50016937
PNG
(CHEMBL3277094)
Show SMILES CC(C)N(CCSP1(=O)OCCCO1)C(C)C
Show InChI InChI=1S/C11H24NO3PS/c1-10(2)12(11(3)4)6-9-17-16(13)14-7-5-8-15-16/h10-11H,5-9H2,1-4H3
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n/an/an/an/an/an/a 0.430n/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE assessed as decrease in thiophenol formation using acetylthiocholine as substrate by Ellman's method


J Med Chem 19: 810-3 (1976)


BindingDB Entry DOI: 10.7270/Q2N58NX7
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


(Electrophorus electricus (Electric eel))
BDBM50016938
PNG
(CHEMBL3277095)
Show SMILES CS([O-])(=O)=O.C[N+](C)(C)CCSP1(=O)OCCCO1
Show InChI InChI=1S/C8H19NO3PS.CH4O3S/c1-9(2,3)5-8-14-13(10)11-6-4-7-12-13;1-5(2,3)4/h4-8H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1
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n/an/an/an/an/an/a 13.3n/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE assessed as decrease in thiophenol formation using acetylthiocholine as substrate by Ellman's method


J Med Chem 19: 810-3 (1976)


BindingDB Entry DOI: 10.7270/Q2N58NX7
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50016936
PNG
(CHEMBL3277093)
Show SMILES CS([O-])(=O)=O.CC[N+](C)(CC)CCSP1(=O)OCCCO1
Show InChI InChI=1S/C10H23NO3PS.CH4O3S/c1-4-11(3,5-2)7-10-16-15(12)13-8-6-9-14-15;1-5(2,3)4/h4-10H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1
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n/an/an/an/an/an/a 18.3n/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE assessed as decrease in thiophenol formation using acetylthiocholine as substrate by Ellman's method


J Med Chem 19: 810-3 (1976)


BindingDB Entry DOI: 10.7270/Q2N58NX7
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


(Electrophorus electricus (Electric eel))
BDBM50016935
PNG
(CHEMBL3277092)
Show SMILES CCN(CC)CCSP1(=O)OCCCO1
Show InChI InChI=1S/C9H20NO3PS/c1-3-10(4-2)6-9-15-14(11)12-7-5-8-13-14/h3-9H2,1-2H3
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n/an/an/an/an/an/a 68.3n/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE assessed as decrease in thiophenol formation using acetylthiocholine as substrate by Ellman's method


J Med Chem 19: 810-3 (1976)


BindingDB Entry DOI: 10.7270/Q2N58NX7
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


(Electrophorus electricus (Electric eel))
BDBM50490825
PNG
(CHEMBL2348368)
Show SMILES Cc1ccc(cc1)S(=O)(=O)OCCOP(C)(=O)Oc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C16H18NO8PS/c1-13-3-9-16(10-4-13)27(21,22)24-12-11-23-26(2,20)25-15-7-5-14(6-8-15)17(18)19/h3-10H,11-12H2,1-2H3
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n/an/an/an/an/an/a 183n/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Inhibition of electric eel 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


(Rattus norvegicus (rat))
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 200n/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Inhibition of rat brain 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


(Electrophorus electricus (Electric eel))
BDBM50490824
PNG
(CHEMBL2348369)
Show SMILES CP(=S)(OCCBr)Oc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C9H11BrNO4PS/c1-16(17,14-7-6-10)15-9-4-2-8(3-5-9)11(12)13/h2-5H,6-7H2,1H3
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n/an/an/an/an/an/a 200n/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Inhibition of electric eel 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


(Rattus norvegicus (rat))
BDBM50240416
PNG
(CHEMBL23838 | O,O-diethyl O-p-nitrophenyl phosphat...)
Show SMILES CCOP(=O)(OCC)Oc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C10H14NO6P/c1-3-15-18(14,16-4-2)17-10-7-5-9(6-8-10)11(12)13/h5-8H,3-4H2,1-2H3
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n/an/an/an/an/an/a 267n/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Inhibition of rat brain 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))
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


(Electrophorus electricus (Electric eel))
BDBM50240416
PNG
(CHEMBL23838 | O,O-diethyl O-p-nitrophenyl phosphat...)
Show SMILES CCOP(=O)(OCC)Oc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C10H14NO6P/c1-3-15-18(14,16-4-2)17-10-7-5-9(6-8-10)11(12)13/h5-8H,3-4H2,1-2H3
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n/an/an/an/an/an/a 333n/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Inhibition of electric eel 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


(Electrophorus electricus (Electric eel))
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 417n/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Inhibition of electric eel 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))
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


(Rattus norvegicus (rat))
BDBM50240416
PNG
(CHEMBL23838 | O,O-diethyl O-p-nitrophenyl phosphat...)
Show SMILES CCOP(=O)(OCC)Oc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C10H14NO6P/c1-3-15-18(14,16-4-2)17-10-7-5-9(6-8-10)11(12)13/h5-8H,3-4H2,1-2H3
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n/an/an/an/an/an/a 567n/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Inhibition of rat brain 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


(Rattus norvegicus (rat))
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 633n/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Inhibition of rat brain 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))
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


(Electrophorus electricus (Electric eel))
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
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/an/an/a 917n/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Inhibition of electric eel 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


(Electrophorus electricus (Electric eel))
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
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/an/an/a 983n/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Inhibition of electric eel 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))
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
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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


(Rattus norvegicus (rat))
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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/an/an/a 1.02E+3n/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Inhibition of rat brain 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


(Rattus norvegicus (rat))
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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/an/an/a 1.03E+3n/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Inhibition of rat brain 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
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