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Compile Data Set for Download or QSAR

Found 48 hits of ic50 data for polymerid = 50006985   
Target
(Institution)
LigandTarget
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


(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)

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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n/an/a 1n/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)

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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n/an/a 1.20n/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)

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



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)

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=1/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



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)

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=1/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



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)

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=1/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 2.5n/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)

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)

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)

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=1/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)

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



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)

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)

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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n/an/a 18n/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)

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=1/C10H14F2N2O/c1-3-4-7(2)14-6-8(5-13-14)9(15)10(11)12/h5-7,10H,3-4H2,1-2H3
PDB

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n/an/a 23n/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)

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=1/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 25n/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)

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=1/C9H12F2N2O/c1-3-6(2)13-5-7(4-12-13)8(14)9(10)11/h4-6,9H,3H2,1-2H3
PDB

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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)

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=1/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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n/an/a 29n/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)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Anopheles gambiae)
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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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)

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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n/an/a 53n/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)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Anopheles gambiae)
BDBM50286926
PNG
(2,2-Dichloroethenyl dimethyl phosphate | CHEMBL167...)
Show SMILES COP(=O)(OC)OC=C(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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n/an/a 60n/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)

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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n/an/a 106n/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)

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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n/an/a 134n/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)

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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n/an/a 142n/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)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Anopheles gambiae)
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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n/an/a 182n/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)

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 257n/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)

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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n/an/a 285n/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)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Anopheles gambiae)
BDBM50286926
PNG
(2,2-Dichloroethenyl dimethyl phosphate | CHEMBL167...)
Show SMILES COP(=O)(OC)OC=C(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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n/an/a 324n/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)

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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n/an/a 337n/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)

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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n/an/a 354n/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)

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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n/an/a 355n/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)

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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n/an/a 430n/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)

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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n/an/a 726n/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)

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)

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
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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)

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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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)

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
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n/an/a 1.04E+3n/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)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Anopheles gambiae)
BDBM50124891
PNG
(CHEMBL3623566)
Show SMILES FCC(=O)c1cnn(c1)C1CCCC1
Show InChI InChI=1S/C10H13FN2O/c11-5-10(14)8-6-12-13(7-8)9-3-1-2-4-9/h6-7,9H,1-5H2
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n/an/a 1.54E+3n/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)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Anopheles gambiae)
BDBM50124884
PNG
(CHEMBL3623563)
Show SMILES CCC(C)n1cc(cn1)C(=O)CF
Show InChI InChI=1/C9H13FN2O/c1-3-7(2)12-6-8(5-11-12)9(13)4-10/h5-7H,3-4H2,1-2H3
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n/an/a 2.75E+3n/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)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Anopheles gambiae)
BDBM50124884
PNG
(CHEMBL3623563)
Show SMILES CCC(C)n1cc(cn1)C(=O)CF
Show InChI InChI=1/C9H13FN2O/c1-3-7(2)12-6-8(5-11-12)9(13)4-10/h5-7H,3-4H2,1-2H3
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n/an/a 2.86E+3n/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)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Anopheles gambiae)
BDBM50124888
PNG
(CHEMBL3623560)
Show SMILES CC(C)Cn1cc(cn1)C(=O)C(F)F
Show InChI InChI=1S/C9H12F2N2O/c1-6(2)4-13-5-7(3-12-13)8(14)9(10)11/h3,5-6,9H,4H2,1-2H3
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n/an/a 3.00E+3n/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)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Anopheles gambiae)
BDBM50124894
PNG
(CHEMBL3623564)
Show SMILES CCCC(C)n1cc(cn1)C(=O)CF
Show InChI InChI=1/C10H15FN2O/c1-3-4-8(2)13-7-9(6-12-13)10(14)5-11/h6-8H,3-5H2,1-2H3
PDB

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n/an/a 3.29E+3n/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)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Anopheles gambiae)
BDBM50124894
PNG
(CHEMBL3623564)
Show SMILES CCCC(C)n1cc(cn1)C(=O)CF
Show InChI InChI=1/C10H15FN2O/c1-3-4-8(2)13-7-9(6-12-13)10(14)5-11/h6-8H,3-5H2,1-2H3
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n/an/a 3.52E+3n/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)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Anopheles gambiae)
BDBM50124888
PNG
(CHEMBL3623560)
Show SMILES CC(C)Cn1cc(cn1)C(=O)C(F)F
Show InChI InChI=1S/C9H12F2N2O/c1-6(2)4-13-5-7(3-12-13)8(14)9(10)11/h3,5-6,9H,4H2,1-2H3
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n/an/a 3.95E+3n/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)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Anopheles gambiae)
BDBM50124891
PNG
(CHEMBL3623566)
Show SMILES FCC(=O)c1cnn(c1)C1CCCC1
Show InChI InChI=1S/C10H13FN2O/c11-5-10(14)8-6-12-13(7-8)9-3-1-2-4-9/h6-7,9H,1-5H2
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n/an/a 5.86E+3n/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)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Anopheles gambiae)
BDBM50124890
PNG
(CHEMBL3623567)
Show SMILES CC(C)Cn1cc(cn1)C(=O)CF
Show InChI InChI=1S/C9H13FN2O/c1-7(2)5-12-6-8(4-11-12)9(13)3-10/h4,6-7H,3,5H2,1-2H3
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n/an/a>1.00E+4n/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)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Anopheles gambiae)
BDBM50124886
PNG
(CHEMBL3623562)
Show SMILES CC(C)n1cc(cn1)C(=O)CF
Show InChI InChI=1S/C8H11FN2O/c1-6(2)11-5-7(4-10-11)8(12)3-9/h4-6H,3H2,1-2H3
PDB

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n/an/a>1.00E+4n/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)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Anopheles gambiae)
BDBM50124890
PNG
(CHEMBL3623567)
Show SMILES CC(C)Cn1cc(cn1)C(=O)CF
Show InChI InChI=1S/C9H13FN2O/c1-7(2)5-12-6-8(4-11-12)9(13)3-10/h4,6-7H,3,5H2,1-2H3
PDB

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n/an/a>1.00E+4n/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)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Anopheles gambiae)
BDBM50124886
PNG
(CHEMBL3623562)
Show SMILES CC(C)n1cc(cn1)C(=O)CF
Show InChI InChI=1S/C8H11FN2O/c1-6(2)11-5-7(4-10-11)8(12)3-9/h4-6H,3H2,1-2H3
PDB

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n/an/a>1.00E+4n/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)

More data for this
Ligand-Target Pair