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Compile Data Set for Download or QSAR

Found 120 hits of ic50 data for polymerid = 50006985   
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


(Anopheles gambiae)
BDBM50124879
PNG
(CHEMBL3623551)
Show SMILES CCC(CC)n1cc(cn1)C(=O)C(F)(F)F
Show InChI InChI=1S/C10H13F3N2O/c1-3-8(4-2)15-6-7(5-14-15)9(16)10(11,12)13/h5-6,8H,3-4H2,1-2H3
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n/an/a 0.680n/an/an/an/an/an/a



Virginia Tech

Curated by ChEMBL


Assay Description
Inhibition of recombinant Anopheles gambiae wild type AChE after 60 mins by Ellman assay


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


Article DOI: 10.1016/j.bmcl.2015.09.019
BindingDB Entry DOI: 10.7270/Q2Z60QV8
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Anopheles gambiae)
BDBM50124872
PNG
(CHEMBL3623558)
Show SMILES CCC(CC)n1cc(cn1)C(=O)C(F)F
Show InChI InChI=1S/C10H14F2N2O/c1-3-8(4-2)14-6-7(5-13-14)9(15)10(11)12/h5-6,8,10H,3-4H2,1-2H3
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Virginia Tech

Curated by ChEMBL


Assay Description
Inhibition of recombinant Anopheles gambiae wild type AChE after 10 mins by Ellman assay


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


Article DOI: 10.1016/j.bmcl.2015.09.019
BindingDB Entry DOI: 10.7270/Q2Z60QV8
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Anopheles gambiae)
BDBM50124872
PNG
(CHEMBL3623558)
Show SMILES CCC(CC)n1cc(cn1)C(=O)C(F)F
Show InChI InChI=1S/C10H14F2N2O/c1-3-8(4-2)14-6-7(5-13-14)9(15)10(11)12/h5-6,8,10H,3-4H2,1-2H3
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Virginia Tech

Curated by ChEMBL


Assay Description
Inhibition of recombinant Anopheles gambiae wild type AChE after 60 mins by Ellman assay


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


Article DOI: 10.1016/j.bmcl.2015.09.019
BindingDB Entry DOI: 10.7270/Q2Z60QV8
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Anopheles gambiae)
BDBM50124878
PNG
(CHEMBL3623552)
Show SMILES FC(F)(F)C(=O)c1cnn(c1)C1CCCC1
Show InChI InChI=1S/C10H11F3N2O/c11-10(12,13)9(16)7-5-14-15(6-7)8-3-1-2-4-8/h5-6,8H,1-4H2
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n/an/a 1.5n/an/an/an/an/an/a



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Curated by ChEMBL


Assay Description
Inhibition of recombinant Anopheles gambiae wild type AChE after 60 mins by Ellman assay


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


Article DOI: 10.1016/j.bmcl.2015.09.019
BindingDB Entry DOI: 10.7270/Q2Z60QV8
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Anopheles gambiae)
BDBM50124880
PNG
(CHEMBL3623550)
Show SMILES CCCC(C)n1cc(cn1)C(=O)C(F)(F)F
Show InChI InChI=1S/C10H13F3N2O/c1-3-4-7(2)15-6-8(5-14-15)9(16)10(11,12)13/h5-7H,3-4H2,1-2H3
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n/an/a 2.10n/an/an/an/an/an/a



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Curated by ChEMBL


Assay Description
Inhibition of recombinant Anopheles gambiae wild type AChE after 60 mins by Ellman assay


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


Article DOI: 10.1016/j.bmcl.2015.09.019
BindingDB Entry DOI: 10.7270/Q2Z60QV8
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Anopheles gambiae)
BDBM50124881
PNG
(CHEMBL3623549)
Show SMILES CCC(C)n1cc(cn1)C(=O)C(F)(F)F
Show InChI InChI=1S/C9H11F3N2O/c1-3-6(2)14-5-7(4-13-14)8(15)9(10,11)12/h4-6H,3H2,1-2H3
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n/an/a 2.30n/an/an/an/an/an/a



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Curated by ChEMBL


Assay Description
Inhibition of recombinant Anopheles gambiae wild type AChE after 60 mins by Ellman assay


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


Article DOI: 10.1016/j.bmcl.2015.09.019
BindingDB Entry DOI: 10.7270/Q2Z60QV8
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Anopheles gambiae)
BDBM50124881
PNG
(CHEMBL3623549)
Show SMILES CCC(C)n1cc(cn1)C(=O)C(F)(F)F
Show InChI InChI=1S/C9H11F3N2O/c1-3-6(2)14-5-7(4-13-14)8(15)9(10,11)12/h4-6H,3H2,1-2H3
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Virginia Tech

Curated by ChEMBL


Assay Description
Inhibition of recombinant Anopheles gambiae wild type AChE after 10 mins by Ellman assay


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


Article DOI: 10.1016/j.bmcl.2015.09.019
BindingDB Entry DOI: 10.7270/Q2Z60QV8
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Anopheles gambiae)
BDBM50124879
PNG
(CHEMBL3623551)
Show SMILES CCC(CC)n1cc(cn1)C(=O)C(F)(F)F
Show InChI InChI=1S/C10H13F3N2O/c1-3-8(4-2)15-6-7(5-14-15)9(16)10(11,12)13/h5-6,8H,3-4H2,1-2H3
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n/an/a 2.80n/an/an/an/an/an/a



Virginia Tech

Curated by ChEMBL


Assay Description
Inhibition of recombinant Anopheles gambiae wild type AChE after 10 mins by Ellman assay


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


Article DOI: 10.1016/j.bmcl.2015.09.019
BindingDB Entry DOI: 10.7270/Q2Z60QV8
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Anopheles gambiae)
BDBM50124878
PNG
(CHEMBL3623552)
Show SMILES FC(F)(F)C(=O)c1cnn(c1)C1CCCC1
Show InChI InChI=1S/C10H11F3N2O/c11-10(12,13)9(16)7-5-14-15(6-7)8-3-1-2-4-8/h5-6,8H,1-4H2
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n/an/a 2.90n/an/an/an/an/an/a



Virginia Tech

Curated by ChEMBL


Assay Description
Inhibition of recombinant Anopheles gambiae wild type AChE after 10 mins by Ellman assay


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


Article DOI: 10.1016/j.bmcl.2015.09.019
BindingDB Entry DOI: 10.7270/Q2Z60QV8
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Anopheles gambiae)
BDBM50124880
PNG
(CHEMBL3623550)
Show SMILES CCCC(C)n1cc(cn1)C(=O)C(F)(F)F
Show InChI InChI=1S/C10H13F3N2O/c1-3-4-7(2)15-6-8(5-14-15)9(16)10(11,12)13/h5-7H,3-4H2,1-2H3
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n/an/a 3.70n/an/an/an/an/an/a



Virginia Tech

Curated by ChEMBL


Assay Description
Inhibition of recombinant Anopheles gambiae wild type AChE after 10 mins by Ellman assay


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


Article DOI: 10.1016/j.bmcl.2015.09.019
BindingDB Entry DOI: 10.7270/Q2Z60QV8
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Anopheles gambiae)
BDBM50124876
PNG
(CHEMBL3623554)
Show SMILES CC(C)(C)c1cccc(c1)C(=O)C(F)F
Show InChI InChI=1S/C12H14F2O/c1-12(2,3)9-6-4-5-8(7-9)10(15)11(13)14/h4-7,11H,1-3H3
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n/an/a 9.10n/an/an/an/an/an/a



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Curated by ChEMBL


Assay Description
Inhibition of recombinant Anopheles gambiae wild type AChE after 10 mins by Ellman assay


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


Article DOI: 10.1016/j.bmcl.2015.09.019
BindingDB Entry DOI: 10.7270/Q2Z60QV8
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Anopheles gambiae)
BDBM50124876
PNG
(CHEMBL3623554)
Show SMILES CC(C)(C)c1cccc(c1)C(=O)C(F)F
Show InChI InChI=1S/C12H14F2O/c1-12(2,3)9-6-4-5-8(7-9)10(15)11(13)14/h4-7,11H,1-3H3
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n/an/a 9.80n/an/an/an/an/an/a



Virginia Tech

Curated by ChEMBL


Assay Description
Inhibition of recombinant Anopheles gambiae wild type AChE after 60 mins by Ellman assay


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


Article DOI: 10.1016/j.bmcl.2015.09.019
BindingDB Entry DOI: 10.7270/Q2Z60QV8
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Anopheles gambiae)
BDBM50281126
PNG
(1-(3-tert-Butyl-phenyl)-2,2,2-trifluoro-ethanone |...)
Show SMILES CC(C)(C)c1cccc(c1)C(=O)C(F)(F)F
Show InChI InChI=1S/C12H13F3O/c1-11(2,3)9-6-4-5-8(7-9)10(16)12(13,14)15/h4-7H,1-3H3
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Virginia Tech

Curated by ChEMBL


Assay Description
Inhibition of recombinant Anopheles gambiae wild type AChE after 60 mins by Ellman assay


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


Article DOI: 10.1016/j.bmcl.2015.09.019
BindingDB Entry DOI: 10.7270/Q2Z60QV8
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Anopheles gambiae)
BDBM50124873
PNG
(CHEMBL3623557)
Show SMILES CCCC(C)n1cc(cn1)C(=O)C(F)F
Show InChI InChI=1S/C10H14F2N2O/c1-3-4-7(2)14-6-8(5-13-14)9(15)10(11)12/h5-7,10H,3-4H2,1-2H3
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Virginia Tech

Curated by ChEMBL


Assay Description
Inhibition of recombinant Anopheles gambiae wild type AChE after 10 mins by Ellman assay


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


Article DOI: 10.1016/j.bmcl.2015.09.019
BindingDB Entry DOI: 10.7270/Q2Z60QV8
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Anopheles gambiae)
BDBM50124874
PNG
(CHEMBL3623556)
Show SMILES CCC(C)n1cc(cn1)C(=O)C(F)F
Show InChI InChI=1S/C9H12F2N2O/c1-3-6(2)13-5-7(4-12-13)8(14)9(10)11/h4-6,9H,3H2,1-2H3
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Virginia Tech

Curated by ChEMBL


Assay Description
Inhibition of recombinant Anopheles gambiae wild type AChE after 60 mins by Ellman assay


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


Article DOI: 10.1016/j.bmcl.2015.09.019
BindingDB Entry DOI: 10.7270/Q2Z60QV8
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Anopheles gambiae)
BDBM50124874
PNG
(CHEMBL3623556)
Show SMILES CCC(C)n1cc(cn1)C(=O)C(F)F
Show InChI InChI=1S/C9H12F2N2O/c1-3-6(2)13-5-7(4-12-13)8(14)9(10)11/h4-6,9H,3H2,1-2H3
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n/an/a 26n/an/an/an/an/an/a



Virginia Tech

Curated by ChEMBL


Assay Description
Inhibition of recombinant Anopheles gambiae wild type AChE after 10 mins by Ellman assay


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


Article DOI: 10.1016/j.bmcl.2015.09.019
BindingDB Entry DOI: 10.7270/Q2Z60QV8
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Anopheles gambiae)
BDBM50124873
PNG
(CHEMBL3623557)
Show SMILES CCCC(C)n1cc(cn1)C(=O)C(F)F
Show InChI InChI=1S/C10H14F2N2O/c1-3-4-7(2)14-6-8(5-13-14)9(15)10(11)12/h5-7,10H,3-4H2,1-2H3
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Virginia Tech

Curated by ChEMBL


Assay Description
Inhibition of recombinant Anopheles gambiae wild type AChE after 60 mins by Ellman assay


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


Article DOI: 10.1016/j.bmcl.2015.09.019
BindingDB Entry DOI: 10.7270/Q2Z60QV8
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Anopheles gambiae)
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/a 44n/an/an/an/an/an/a



Virginia Tech

Curated by ChEMBL


Assay Description
Inhibition of recombinant Anopheles gambiae wild type AChE after 60 mins by Ellman assay


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


Article DOI: 10.1016/j.bmcl.2015.09.019
BindingDB Entry DOI: 10.7270/Q2Z60QV8
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Anopheles gambiae)
BDBM50281126
PNG
(1-(3-tert-Butyl-phenyl)-2,2,2-trifluoro-ethanone |...)
Show SMILES CC(C)(C)c1cccc(c1)C(=O)C(F)(F)F
Show InChI InChI=1S/C12H13F3O/c1-11(2,3)9-6-4-5-8(7-9)10(16)12(13,14)15/h4-7H,1-3H3
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Virginia Tech

Curated by ChEMBL


Assay Description
Inhibition of recombinant Anopheles gambiae wild type AChE after 10 mins by Ellman assay


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


Article DOI: 10.1016/j.bmcl.2015.09.019
BindingDB Entry DOI: 10.7270/Q2Z60QV8
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Anopheles gambiae)
BDBM50286926
PNG
(2,2-Dichloroethenyl dimethyl phosphate | CHEMBL167...)
Show SMILES [#6]-[#8]P(=O)([#8]-[#6])[#8]\[#6]=[#6](/Cl)Cl
Show InChI InChI=1S/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3
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Virginia Tech

Curated by ChEMBL


Assay Description
Inhibition of recombinant Anopheles gambiae wild type AChE after 60 mins by Ellman assay


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


Article DOI: 10.1016/j.bmcl.2015.09.019
BindingDB Entry DOI: 10.7270/Q2Z60QV8
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Anopheles gambiae)
BDBM50467887
PNG
(CHEMBL4291845)
Show SMILES CCN1CCN(CC1)C1CCN(CC1)C(=O)COc1ccc(cc1)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C25H32N4O4/c1-2-26-15-17-27(18-16-26)22-11-13-28(14-12-22)25(30)19-33-24-9-5-21(6-10-24)20-3-7-23(8-4-20)29(31)32/h3-10,22H,2,11-19H2,1H3
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Umea University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Anopheles gambiae AChE1 expressed in sf9 insect cells using acetylthiocholine iodide as substrate measured over 60 secs by ...


J Med Chem 61: 10545-10557 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01060
BindingDB Entry DOI: 10.7270/Q2FT8PQN
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Anopheles gambiae)
BDBM50124889
PNG
(CHEMBL3623559)
Show SMILES FC(F)C(=O)c1cnn(c1)C1CCCC1
Show InChI InChI=1S/C10H12F2N2O/c11-10(12)9(15)7-5-13-14(6-7)8-3-1-2-4-8/h5-6,8,10H,1-4H2
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Virginia Tech

Curated by ChEMBL


Assay Description
Inhibition of recombinant Anopheles gambiae wild type AChE after 10 mins by Ellman assay


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


Article DOI: 10.1016/j.bmcl.2015.09.019
BindingDB Entry DOI: 10.7270/Q2Z60QV8
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Anopheles gambiae)
BDBM50252257
PNG
(CHEMBL4092186)
Show SMILES COc1ccc(NC(=S)NCCN2CCOCC2)cc1Cl
Show InChI InChI=1S/C14H20ClN3O2S/c1-19-13-3-2-11(10-12(13)15)17-14(21)16-4-5-18-6-8-20-9-7-18/h2-3,10H,4-9H2,1H3,(H2,16,17,21)
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Ume£ University

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length Anopheles gambiae AChE1 expressed in baculovirus-infected Sf9 insect cells using acetylthiocholine iodide as su...


Eur J Med Chem 134: 415-427 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.050
BindingDB Entry DOI: 10.7270/Q23X893Z
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Anopheles gambiae)
BDBM50467887
PNG
(CHEMBL4291845)
Show SMILES CCN1CCN(CC1)C1CCN(CC1)C(=O)COc1ccc(cc1)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C25H32N4O4/c1-2-26-15-17-27(18-16-26)22-11-13-28(14-12-22)25(30)19-33-24-9-5-21(6-10-24)20-3-7-23(8-4-20)29(31)32/h3-10,22H,2,11-19H2,1H3
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Umea University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Anopheles gambiae AChE1 G122S mutant expressed in sf9 insect cells using acetylthiocholine iodide as substrate measured ove...


J Med Chem 61: 10545-10557 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01060
BindingDB Entry DOI: 10.7270/Q2FT8PQN
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Anopheles gambiae)
BDBM50124889
PNG
(CHEMBL3623559)
Show SMILES FC(F)C(=O)c1cnn(c1)C1CCCC1
Show InChI InChI=1S/C10H12F2N2O/c11-10(12)9(15)7-5-13-14(6-7)8-3-1-2-4-8/h5-6,8,10H,1-4H2
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Curated by ChEMBL


Assay Description
Inhibition of recombinant Anopheles gambiae wild type AChE after 60 mins by Ellman assay


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


Article DOI: 10.1016/j.bmcl.2015.09.019
BindingDB Entry DOI: 10.7270/Q2Z60QV8
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Anopheles gambiae)
BDBM50124882
PNG
(CHEMBL3623548)
Show SMILES CC(C)n1cc(cn1)C(=O)C(F)(F)F
Show InChI InChI=1S/C8H9F3N2O/c1-5(2)13-4-6(3-12-13)7(14)8(9,10)11/h3-5H,1-2H3
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Curated by ChEMBL


Assay Description
Inhibition of recombinant Anopheles gambiae wild type AChE after 10 mins by Ellman assay


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


Article DOI: 10.1016/j.bmcl.2015.09.019
BindingDB Entry DOI: 10.7270/Q2Z60QV8
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Anopheles gambiae)
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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Curated by ChEMBL


Assay Description
Inhibition of recombinant Anopheles gambiae wild type AChE after 10 mins by Ellman assay


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


Article DOI: 10.1016/j.bmcl.2015.09.019
BindingDB Entry DOI: 10.7270/Q2Z60QV8
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Anopheles gambiae)
BDBM50252257
PNG
(CHEMBL4092186)
Show SMILES COc1ccc(NC(=S)NCCN2CCOCC2)cc1Cl
Show InChI InChI=1S/C14H20ClN3O2S/c1-19-13-3-2-11(10-12(13)15)17-14(21)16-4-5-18-6-8-20-9-7-18/h2-3,10H,4-9H2,1H3,(H2,16,17,21)
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Curated by ChEMBL


Assay Description
Inhibition of AChE1 in Anopheles gambiae head extract using acetylthiocholine iodide as substrate measured over 60 secs by Ellman's method


Eur J Med Chem 134: 415-427 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.050
BindingDB Entry DOI: 10.7270/Q23X893Z
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Anopheles gambiae)
BDBM50252257
PNG
(CHEMBL4092186)
Show SMILES COc1ccc(NC(=S)NCCN2CCOCC2)cc1Cl
Show InChI InChI=1S/C14H20ClN3O2S/c1-19-13-3-2-11(10-12(13)15)17-14(21)16-4-5-18-6-8-20-9-7-18/h2-3,10H,4-9H2,1H3,(H2,16,17,21)
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Curated by ChEMBL


Assay Description
Inhibition of AChE1 in Anopheles gambiae head extract using acetylthiocholine iodide as substrate measured over 60 secs by Ellman's method


Eur J Med Chem 134: 415-427 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.050
BindingDB Entry DOI: 10.7270/Q23X893Z
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Anopheles gambiae)
BDBM50198343
PNG
(CHEMBL3965046)
Show SMILES CCN1CCN(CC1)C1CCN(CC1)C(=O)COc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C25H33N3O2/c1-2-26-16-18-27(19-17-26)23-12-14-28(15-13-23)25(29)20-30-24-10-8-22(9-11-24)21-6-4-3-5-7-21/h3-11,23H,2,12-20H2,1H3
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Curated by ChEMBL


Assay Description
Inhibition of Anopheles gambiae recombinant AChE1 expressed in baculovirus infected insect Sf9 cells using acetylthiocholine iodide as substrate meas...


J Med Chem 59: 9409-9421 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00967
BindingDB Entry DOI: 10.7270/Q2HM5BFB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Anopheles gambiae)
BDBM50198343
PNG
(CHEMBL3965046)
Show SMILES CCN1CCN(CC1)C1CCN(CC1)C(=O)COc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C25H33N3O2/c1-2-26-16-18-27(19-17-26)23-12-14-28(15-13-23)25(29)20-30-24-10-8-22(9-11-24)21-6-4-3-5-7-21/h3-11,23H,2,12-20H2,1H3
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Curated by ChEMBL


Assay Description
Inhibition of recombinant Anopheles gambiae AChE1 expressed in sf9 insect cells using acetylthiocholine iodide as substrate measured over 60 secs by ...


J Med Chem 61: 10545-10557 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01060
BindingDB Entry DOI: 10.7270/Q2FT8PQN
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Anopheles gambiae)
BDBM50467874
PNG
(CHEMBL4276694)
Show SMILES CCN1CCN(CC1)C1CCN(CC1)C(=O)COc1ccc(cc1)-c1ccccc1F
Show InChI InChI=1S/C25H32FN3O2/c1-2-27-15-17-28(18-16-27)21-11-13-29(14-12-21)25(30)19-31-22-9-7-20(8-10-22)23-5-3-4-6-24(23)26/h3-10,21H,2,11-19H2,1H3
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Curated by ChEMBL


Assay Description
Inhibition of recombinant Anopheles gambiae AChE1 expressed in sf9 insect cells using acetylthiocholine iodide as substrate measured over 60 secs by ...


J Med Chem 61: 10545-10557 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01060
BindingDB Entry DOI: 10.7270/Q2FT8PQN
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Anopheles gambiae)
BDBM50467873
PNG
(CHEMBL4285972)
Show SMILES CN1CCN(CC1)C1CCN(CC1)C(=O)COc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C24H31N3O2/c1-25-15-17-26(18-16-25)22-11-13-27(14-12-22)24(28)19-29-23-9-7-21(8-10-23)20-5-3-2-4-6-20/h2-10,22H,11-19H2,1H3
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Curated by ChEMBL


Assay Description
Inhibition of recombinant Anopheles gambiae AChE1 expressed in sf9 insect cells using acetylthiocholine iodide as substrate measured over 60 secs by ...


J Med Chem 61: 10545-10557 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01060
BindingDB Entry DOI: 10.7270/Q2FT8PQN
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Anopheles gambiae)
BDBM50124883
PNG
(CHEMBL3137700)
Show SMILES C[Si](C)(C)c1cccc(c1)C(=O)C(F)(F)F
Show InChI InChI=1S/C11H13F3OSi/c1-16(2,3)9-6-4-5-8(7-9)10(15)11(12,13)14/h4-7H,1-3H3
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Curated by ChEMBL


Assay Description
Inhibition of recombinant Anopheles gambiae wild type AChE after 60 mins by Ellman assay


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


Article DOI: 10.1016/j.bmcl.2015.09.019
BindingDB Entry DOI: 10.7270/Q2Z60QV8
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Anopheles gambiae)
BDBM55727
PNG
(2-(2,4-dichlorophenoxy)-N-[4-(1-piperidinylmethyl)...)
Show SMILES Clc1ccc(OCC(=O)Nc2ccc(CN3CCCCC3)cc2)c(Cl)c1
Show InChI InChI=1S/C20H22Cl2N2O2/c21-16-6-9-19(18(22)12-16)26-14-20(25)23-17-7-4-15(5-8-17)13-24-10-2-1-3-11-24/h4-9,12H,1-3,10-11,13-14H2,(H,23,25)
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Curated by ChEMBL


Assay Description
Inhibition of Anopheles gambiae recombinant AChE1 expressed in baculovirus infected insect Sf9 cells using acetylthiocholine iodide as substrate meas...


J Med Chem 59: 9409-9421 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00967
BindingDB Entry DOI: 10.7270/Q2HM5BFB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Anopheles gambiae)
BDBM50124882
PNG
(CHEMBL3623548)
Show SMILES CC(C)n1cc(cn1)C(=O)C(F)(F)F
Show InChI InChI=1S/C8H9F3N2O/c1-5(2)13-4-6(3-12-13)7(14)8(9,10)11/h3-5H,1-2H3
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Curated by ChEMBL


Assay Description
Inhibition of recombinant Anopheles gambiae wild type AChE after 60 mins by Ellman assay


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


Article DOI: 10.1016/j.bmcl.2015.09.019
BindingDB Entry DOI: 10.7270/Q2Z60QV8
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Anopheles gambiae)
BDBM50467883
PNG
(CHEMBL4287340)
Show SMILES CCN1CCN(CC1)C1CCN(CC1)C(=O)COc1ccc2C(=O)CCc2c1
Show InChI InChI=1S/C22H31N3O3/c1-2-23-11-13-24(14-12-23)18-7-9-25(10-8-18)22(27)16-28-19-4-5-20-17(15-19)3-6-21(20)26/h4-5,15,18H,2-3,6-14,16H2,1H3
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Curated by ChEMBL


Assay Description
Inhibition of recombinant Anopheles gambiae AChE1 expressed in sf9 insect cells using acetylthiocholine iodide as substrate measured over 60 secs by ...


J Med Chem 61: 10545-10557 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01060
BindingDB Entry DOI: 10.7270/Q2FT8PQN
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Anopheles gambiae)
BDBM50286926
PNG
(2,2-Dichloroethenyl dimethyl phosphate | CHEMBL167...)
Show SMILES [#6]-[#8]P(=O)([#8]-[#6])[#8]\[#6]=[#6](/Cl)Cl
Show InChI InChI=1S/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3
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Curated by ChEMBL


Assay Description
Inhibition of recombinant Anopheles gambiae wild type AChE after 10 mins by Ellman assay


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


Article DOI: 10.1016/j.bmcl.2015.09.019
BindingDB Entry DOI: 10.7270/Q2Z60QV8
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Anopheles gambiae)
BDBM50124893
PNG
(CHEMBL3623565)
Show SMILES CCC(CC)n1cc(cn1)C(=O)CF
Show InChI InChI=1S/C10H15FN2O/c1-3-9(4-2)13-7-8(6-12-13)10(14)5-11/h6-7,9H,3-5H2,1-2H3
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Curated by ChEMBL


Assay Description
Inhibition of recombinant Anopheles gambiae wild type AChE after 60 mins by Ellman assay


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


Article DOI: 10.1016/j.bmcl.2015.09.019
BindingDB Entry DOI: 10.7270/Q2Z60QV8
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Anopheles gambiae)
BDBM50124875
PNG
(CHEMBL3623555)
Show SMILES CC(C)n1cc(cn1)C(=O)C(F)F
Show InChI InChI=1S/C8H10F2N2O/c1-5(2)12-4-6(3-11-12)7(13)8(9)10/h3-5,8H,1-2H3
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Curated by ChEMBL


Assay Description
Inhibition of recombinant Anopheles gambiae wild type AChE after 10 mins by Ellman assay


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


Article DOI: 10.1016/j.bmcl.2015.09.019
BindingDB Entry DOI: 10.7270/Q2Z60QV8
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Anopheles gambiae)
BDBM50124893
PNG
(CHEMBL3623565)
Show SMILES CCC(CC)n1cc(cn1)C(=O)CF
Show InChI InChI=1S/C10H15FN2O/c1-3-9(4-2)13-7-8(6-12-13)10(14)5-11/h6-7,9H,3-5H2,1-2H3
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Assay Description
Inhibition of recombinant Anopheles gambiae wild type AChE after 10 mins by Ellman assay


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


Article DOI: 10.1016/j.bmcl.2015.09.019
BindingDB Entry DOI: 10.7270/Q2Z60QV8
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Anopheles gambiae)
BDBM50467883
PNG
(CHEMBL4287340)
Show SMILES CCN1CCN(CC1)C1CCN(CC1)C(=O)COc1ccc2C(=O)CCc2c1
Show InChI InChI=1S/C22H31N3O3/c1-2-23-11-13-24(14-12-23)18-7-9-25(10-8-18)22(27)16-28-19-4-5-20-17(15-19)3-6-21(20)26/h4-5,15,18H,2-3,6-14,16H2,1H3
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Curated by ChEMBL


Assay Description
Inhibition of recombinant Anopheles gambiae AChE1 G122S mutant expressed in sf9 insect cells using acetylthiocholine iodide as substrate measured ove...


J Med Chem 61: 10545-10557 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01060
BindingDB Entry DOI: 10.7270/Q2FT8PQN
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Anopheles gambiae)
BDBM50467882
PNG
(CHEMBL4284619)
Show SMILES CCN1CCN(CC1)C1CCN(CC1)C(=O)COc1ccc(cc1)-c1ccc(OC)cc1
Show InChI InChI=1S/C26H35N3O3/c1-3-27-16-18-28(19-17-27)23-12-14-29(15-13-23)26(30)20-32-25-10-6-22(7-11-25)21-4-8-24(31-2)9-5-21/h4-11,23H,3,12-20H2,1-2H3
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Curated by ChEMBL


Assay Description
Inhibition of recombinant Anopheles gambiae AChE1 expressed in sf9 insect cells using acetylthiocholine iodide as substrate measured over 60 secs by ...


J Med Chem 61: 10545-10557 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01060
BindingDB Entry DOI: 10.7270/Q2FT8PQN
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Anopheles gambiae)
BDBM50124875
PNG
(CHEMBL3623555)
Show SMILES CC(C)n1cc(cn1)C(=O)C(F)F
Show InChI InChI=1S/C8H10F2N2O/c1-5(2)12-4-6(3-11-12)7(13)8(9)10/h3-5,8H,1-2H3
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Curated by ChEMBL


Assay Description
Inhibition of recombinant Anopheles gambiae wild type AChE after 60 mins by Ellman assay


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


Article DOI: 10.1016/j.bmcl.2015.09.019
BindingDB Entry DOI: 10.7270/Q2Z60QV8
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Anopheles gambiae)
BDBM50467873
PNG
(CHEMBL4285972)
Show SMILES CN1CCN(CC1)C1CCN(CC1)C(=O)COc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C24H31N3O2/c1-25-15-17-26(18-16-25)22-11-13-27(14-12-22)24(28)19-29-23-9-7-21(8-10-23)20-5-3-2-4-6-20/h2-10,22H,11-19H2,1H3
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Curated by ChEMBL


Assay Description
Inhibition of recombinant Anopheles gambiae AChE1 G122S mutant expressed in sf9 insect cells using acetylthiocholine iodide as substrate measured ove...


J Med Chem 61: 10545-10557 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01060
BindingDB Entry DOI: 10.7270/Q2FT8PQN
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Anopheles gambiae)
BDBM50467874
PNG
(CHEMBL4276694)
Show SMILES CCN1CCN(CC1)C1CCN(CC1)C(=O)COc1ccc(cc1)-c1ccccc1F
Show InChI InChI=1S/C25H32FN3O2/c1-2-27-15-17-28(18-16-27)21-11-13-29(14-12-21)25(30)19-31-22-9-7-20(8-10-22)23-5-3-4-6-24(23)26/h3-10,21H,2,11-19H2,1H3
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Curated by ChEMBL


Assay Description
Inhibition of recombinant Anopheles gambiae AChE1 G122S mutant expressed in sf9 insect cells using acetylthiocholine iodide as substrate measured ove...


J Med Chem 61: 10545-10557 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01060
BindingDB Entry DOI: 10.7270/Q2FT8PQN
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Anopheles gambiae)
BDBM50124887
PNG
(CHEMBL3623561)
Show SMILES CC(C)(C)c1cccc(c1)C(=O)CF
Show InChI InChI=1S/C12H15FO/c1-12(2,3)10-6-4-5-9(7-10)11(14)8-13/h4-7H,8H2,1-3H3
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Curated by ChEMBL


Assay Description
Inhibition of recombinant Anopheles gambiae wild type AChE after 10 mins by Ellman assay


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


Article DOI: 10.1016/j.bmcl.2015.09.019
BindingDB Entry DOI: 10.7270/Q2Z60QV8
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Anopheles gambiae)
BDBM50124883
PNG
(CHEMBL3137700)
Show SMILES C[Si](C)(C)c1cccc(c1)C(=O)C(F)(F)F
Show InChI InChI=1S/C11H13F3OSi/c1-16(2,3)9-6-4-5-8(7-9)10(15)11(12,13)14/h4-7H,1-3H3
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n/an/a 848n/an/an/an/an/an/a



Virginia Tech

Curated by ChEMBL


Assay Description
Inhibition of recombinant Anopheles gambiae wild type AChE after 10 mins by Ellman assay


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


Article DOI: 10.1016/j.bmcl.2015.09.019
BindingDB Entry DOI: 10.7270/Q2Z60QV8
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Anopheles gambiae)
BDBM50124877
PNG
(CHEMBL3623553)
Show SMILES CC(C)Cn1cc(cn1)C(=O)C(F)(F)F
Show InChI InChI=1S/C9H11F3N2O/c1-6(2)4-14-5-7(3-13-14)8(15)9(10,11)12/h3,5-6H,4H2,1-2H3
PDB

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CHEMBL
MCE
PC cid
PC sid
UniChem

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PubMed
n/an/a 950n/an/an/an/an/an/a



Virginia Tech

Curated by ChEMBL


Assay Description
Inhibition of recombinant Anopheles gambiae wild type AChE after 10 mins by Ellman assay


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


Article DOI: 10.1016/j.bmcl.2015.09.019
BindingDB Entry DOI: 10.7270/Q2Z60QV8
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Anopheles gambiae)
BDBM50124887
PNG
(CHEMBL3623561)
Show SMILES CC(C)(C)c1cccc(c1)C(=O)CF
Show InChI InChI=1S/C12H15FO/c1-12(2,3)10-6-4-5-9(7-10)11(14)8-13/h4-7H,8H2,1-3H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 953n/an/an/an/an/an/a



Virginia Tech

Curated by ChEMBL


Assay Description
Inhibition of recombinant Anopheles gambiae wild type AChE after 60 mins by Ellman assay


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


Article DOI: 10.1016/j.bmcl.2015.09.019
BindingDB Entry DOI: 10.7270/Q2Z60QV8
More data for this
Ligand-Target Pair
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