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PubMed code 28433681

Compile data set for download or QSAR
Found 44 hits of Enzyme Inhibition Constant Data   
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)		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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n/an/a 120n/an/an/an/an/an/a



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)		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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n/an/a 190n/an/an/an/an/an/a



Ume£ University

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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n/an/a 190n/an/an/an/an/an/a



Ume£ University

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)		BDBM50252266
PNG
(CHEMBL1340607)
Show SMILES COc1ccc(NC(S)=NCCN2CCC(C)CC2)cc1Cl
Show InChI InChI=1S/C16H24ClN3OS/c1-12-5-8-20(9-6-12)10-7-18-16(22)19-13-3-4-15(21-2)14(17)11-13/h3-4,11-12H,5-10H2,1-2H3,(H2,18,19,22)
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n/an/a 960n/an/an/an/an/an/a



Ume£ University

Curated by ChEMBL


Assay Description
Inhibition of AChE1 in Anopheles gambiae body 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)		BDBM50252256
PNG
(CHEMBL4064806)
Show SMILES COc1ccccc1NC(=S)NCCN(C)C
Show InChI InChI=1S/C12H19N3OS/c1-15(2)9-8-13-12(17)14-10-6-4-5-7-11(10)16-3/h4-7H,8-9H2,1-3H3,(H2,13,14,17)
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n/an/a 7.10E+3n/an/an/an/an/an/a



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)		BDBM50252256
PNG
(CHEMBL4064806)
Show SMILES COc1ccccc1NC(=S)NCCN(C)C
Show InChI InChI=1S/C12H19N3OS/c1-15(2)9-8-13-12(17)14-10-6-4-5-7-11(10)16-3/h4-7H,8-9H2,1-3H3,(H2,13,14,17)
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n/an/a 7.10E+3n/an/an/an/an/an/a



Ume£ University

Curated by ChEMBL


Assay Description
Inhibition of AChE1 in Anopheles gambiae body 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)		BDBM50252256
PNG
(CHEMBL4064806)
Show SMILES COc1ccccc1NC(=S)NCCN(C)C
Show InChI InChI=1S/C12H19N3OS/c1-15(2)9-8-13-12(17)14-10-6-4-5-7-11(10)16-3/h4-7H,8-9H2,1-3H3,(H2,13,14,17)
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n/an/a 7.60E+3n/an/an/an/an/an/a



Ume£ University

Curated by ChEMBL


Assay Description
Inhibition of AChE1 in Anopheles gambiae body 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)		BDBM50252272
PNG
(CHEMBL4079963)
Show SMILES NS(=O)(=O)c1ccc(NC(=S)NCCN2CCCCC2)cc1
Show InChI InChI=1S/C14H22N4O2S2/c15-22(19,20)13-6-4-12(5-7-13)17-14(21)16-8-11-18-9-2-1-3-10-18/h4-7H,1-3,8-11H2,(H2,15,19,20)(H2,16,17,21)
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n/an/a 7.80E+3n/an/an/an/an/an/a



Ume£ University

Curated by ChEMBL


Assay Description
Inhibition of AChE1 in Anopheles gambiae body 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)		BDBM50252254
PNG
(CHEMBL1543212)
Show SMILES COc1ccc(NC(S)=NCCN2CCOCC2)cc1
Show InChI InChI=1S/C14H21N3O2S/c1-18-13-4-2-12(3-5-13)16-14(20)15-6-7-17-8-10-19-11-9-17/h2-5H,6-11H2,1H3,(H2,15,16,20)
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n/an/a 1.10E+4n/an/an/an/an/an/a



Ume£ University

Curated by ChEMBL


Assay Description
Inhibition of AChE1 in Anopheles gambiae body 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


(Homo sapiens (Human))		BDBM50252266
PNG
(CHEMBL1340607)
Show SMILES COc1ccc(NC(S)=NCCN2CCC(C)CC2)cc1Cl
Show InChI InChI=1S/C16H24ClN3OS/c1-12-5-8-20(9-6-12)10-7-18-16(22)19-13-3-4-15(21-2)14(17)11-13/h3-4,11-12H,5-10H2,1-2H3,(H2,18,19,22)
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n/an/a 1.20E+4n/an/an/an/an/an/a



Ume£ University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AChE expressed in HEK293F cells 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


(Homo sapiens (Human))		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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n/an/a 1.40E+4n/an/an/an/an/an/a



Ume£ University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AChE expressed in HEK293F cells 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)		BDBM50252263
PNG
(CHEMBL4100253)
Show SMILES OS(O)(=O)=O.CN(C)CCNC(=S)Nc1ccccc1Cl
Show InChI InChI=1S/C11H16ClN3S/c1-15(2)8-7-13-11(16)14-10-6-4-3-5-9(10)12/h3-6H,7-8H2,1-2H3,(H2,13,14,16)
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n/an/a 1.70E+4n/an/an/an/an/an/a



Ume£ University

Curated by ChEMBL


Assay Description
Inhibition of AChE1 in Anopheles gambiae body 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)		BDBM50252258
PNG
(CHEMBL4075136)
Show SMILES COc1ccc(NC(=S)NCCN(C)C)cc1Cl
Show InChI InChI=1S/C12H18ClN3OS/c1-16(2)7-6-14-12(18)15-9-4-5-11(17-3)10(13)8-9/h4-5,8H,6-7H2,1-3H3,(H2,14,15,18)
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n/an/a 1.80E+4n/an/an/an/an/an/a



Ume£ University

Curated by ChEMBL


Assay Description
Inhibition of AChE1 in Anopheles gambiae body 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)		BDBM50252264
PNG
(CHEMBL4073401)
Show SMILES Cl.COc1ccccc1NC(=S)NCCN1CCCCC1
Show InChI InChI=1S/C15H23N3OS/c1-19-14-8-4-3-7-13(14)17-15(20)16-9-12-18-10-5-2-6-11-18/h3-4,7-8H,2,5-6,9-12H2,1H3,(H2,16,17,20)
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n/an/a 2.90E+4n/an/an/an/an/an/a



Ume£ University

Curated by ChEMBL


Assay Description
Inhibition of AChE1 in Anopheles gambiae body 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)		BDBM50252268
PNG
(CHEMBL4099934)
Show SMILES COc1ccc(NC(=S)NCCN2CCCCC2)cc1
Show InChI InChI=1S/C15H23N3OS/c1-19-14-7-5-13(6-8-14)17-15(20)16-9-12-18-10-3-2-4-11-18/h5-8H,2-4,9-12H2,1H3,(H2,16,17,20)
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n/an/a 2.90E+4n/an/an/an/an/an/a



Ume£ University

Curated by ChEMBL


Assay Description
Inhibition of AChE1 in Anopheles gambiae body 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


(Homo sapiens (Human))		BDBM50252264
PNG
(CHEMBL4073401)
Show SMILES Cl.COc1ccccc1NC(=S)NCCN1CCCCC1
Show InChI InChI=1S/C15H23N3OS/c1-19-14-8-4-3-7-13(14)17-15(20)16-9-12-18-10-5-2-6-11-18/h3-4,7-8H,2,5-6,9-12H2,1H3,(H2,16,17,20)
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n/an/a 3.20E+4n/an/an/an/an/an/a



Ume£ University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AChE expressed in HEK293F cells 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


(Homo sapiens (Human))		BDBM50252258
PNG
(CHEMBL4075136)
Show SMILES COc1ccc(NC(=S)NCCN(C)C)cc1Cl
Show InChI InChI=1S/C12H18ClN3OS/c1-16(2)7-6-14-12(18)15-9-4-5-11(17-3)10(13)8-9/h4-5,8H,6-7H2,1-3H3,(H2,14,15,18)
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n/an/a 4.60E+4n/an/an/an/an/an/a



Ume£ University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AChE expressed in HEK293F cells 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)		BDBM50252255
PNG
(CHEMBL1416246)
Show SMILES Clc1cccc(NC(=S)NCCN2CCOCC2)c1
Show InChI InChI=1S/C13H18ClN3OS/c14-11-2-1-3-12(10-11)16-13(19)15-4-5-17-6-8-18-9-7-17/h1-3,10H,4-9H2,(H2,15,16,19)
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n/an/a 6.80E+4n/an/an/an/an/an/a



Ume£ University

Curated by ChEMBL


Assay Description
Inhibition of AChE1 in Anopheles gambiae body 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)		BDBM50171021
PNG
(4-[3-(2-Dimethylamino-ethyl)-thioureido]-benzenesu...)
Show SMILES CN(C)CCNC(=S)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C11H18N4O2S2/c1-15(2)8-7-13-11(18)14-9-3-5-10(6-4-9)19(12,16)17/h3-6H,7-8H2,1-2H3,(H2,12,16,17)(H2,13,14,18)
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n/an/a 7.40E+4n/an/an/an/an/an/a



Ume£ University

Curated by ChEMBL


Assay Description
Inhibition of AChE1 in Anopheles gambiae body 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


(Homo sapiens (Human))		BDBM50252272
PNG
(CHEMBL4079963)
Show SMILES NS(=O)(=O)c1ccc(NC(=S)NCCN2CCCCC2)cc1
Show InChI InChI=1S/C14H22N4O2S2/c15-22(19,20)13-6-4-12(5-7-13)17-14(21)16-8-11-18-9-2-1-3-10-18/h4-7H,1-3,8-11H2,(H2,15,19,20)(H2,16,17,21)
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n/an/a 9.00E+4n/an/an/an/an/an/a



Ume£ University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AChE expressed in HEK293F cells 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)		BDBM50252260
PNG
(CHEMBL1301463)
Show SMILES CN(C)CCN=C(S)Nc1cccc(Cl)c1
Show InChI InChI=1S/C11H16ClN3S/c1-15(2)7-6-13-11(16)14-10-5-3-4-9(12)8-10/h3-5,8H,6-7H2,1-2H3,(H2,13,14,16)
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n/an/a 9.60E+4n/an/an/an/an/an/a



Ume£ University

Curated by ChEMBL


Assay Description
Inhibition of AChE1 in Anopheles gambiae body 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


(Homo sapiens (Human))		BDBM50252268
PNG
(CHEMBL4099934)
Show SMILES COc1ccc(NC(=S)NCCN2CCCCC2)cc1
Show InChI InChI=1S/C15H23N3OS/c1-19-14-7-5-13(6-8-14)17-15(20)16-9-12-18-10-3-2-4-11-18/h5-8H,2-4,9-12H2,1H3,(H2,16,17,20)
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n/an/a 1.20E+5n/an/an/an/an/an/a



Ume£ University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AChE expressed in HEK293F cells 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


(Homo sapiens (Human))		BDBM50252256
PNG
(CHEMBL4064806)
Show SMILES COc1ccccc1NC(=S)NCCN(C)C
Show InChI InChI=1S/C12H19N3OS/c1-15(2)9-8-13-12(17)14-10-6-4-5-7-11(10)16-3/h4-7H,8-9H2,1-3H3,(H2,13,14,17)
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n/an/a 1.20E+5n/an/an/an/an/an/a



Ume£ University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AChE expressed in HEK293F cells 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


(Homo sapiens (Human))		BDBM50252260
PNG
(CHEMBL1301463)
Show SMILES CN(C)CCN=C(S)Nc1cccc(Cl)c1
Show InChI InChI=1S/C11H16ClN3S/c1-15(2)7-6-13-11(16)14-10-5-3-4-9(12)8-10/h3-5,8H,6-7H2,1-2H3,(H2,13,14,16)
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n/an/a 1.40E+5n/an/an/an/an/an/a



Ume£ University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AChE expressed in HEK293F cells 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)		BDBM50252269
PNG
(CHEMBL4071394)
Show SMILES Clc1cccc(NC(=S)NCCN2CCCCC2)c1
Show InChI InChI=1S/C14H20ClN3S/c15-12-5-4-6-13(11-12)17-14(19)16-7-10-18-8-2-1-3-9-18/h4-6,11H,1-3,7-10H2,(H2,16,17,19)
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n/an/a 1.40E+5n/an/an/an/an/an/a



Ume£ University

Curated by ChEMBL


Assay Description
Inhibition of AChE1 in Anopheles gambiae body 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


(Homo sapiens (Human))		BDBM50252269
PNG
(CHEMBL4071394)
Show SMILES Clc1cccc(NC(=S)NCCN2CCCCC2)c1
Show InChI InChI=1S/C14H20ClN3S/c15-12-5-4-6-13(11-12)17-14(19)16-7-10-18-8-2-1-3-9-18/h4-6,11H,1-3,7-10H2,(H2,16,17,19)
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n/an/a 1.90E+5n/an/an/an/an/an/a



Ume£ University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AChE expressed in HEK293F cells 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)		BDBM50252267
PNG
(CHEMBL4081932)
Show SMILES CC1CCN(CCNC(=S)Nc2cccc(Cl)c2)CC1
Show InChI InChI=1S/C15H22ClN3S/c1-12-5-8-19(9-6-12)10-7-17-15(20)18-14-4-2-3-13(16)11-14/h2-4,11-12H,5-10H2,1H3,(H2,17,18,20)
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n/an/a>2.00E+5n/an/an/an/an/an/a



Ume£ University

Curated by ChEMBL


Assay Description
Inhibition of AChE1 in Anopheles gambiae body 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


(Homo sapiens (Human))		BDBM50252263
PNG
(CHEMBL4100253)
Show SMILES OS(O)(=O)=O.CN(C)CCNC(=S)Nc1ccccc1Cl
Show InChI InChI=1S/C11H16ClN3S/c1-15(2)8-7-13-11(16)14-10-6-4-3-5-9(10)12/h3-6H,7-8H2,1-2H3,(H2,13,14,16)
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n/an/a>2.00E+5n/an/an/an/an/an/a



Ume£ University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AChE expressed in HEK293F cells 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


(Homo sapiens (Human))		BDBM50171021
PNG
(4-[3-(2-Dimethylamino-ethyl)-thioureido]-benzenesu...)
Show SMILES CN(C)CCNC(=S)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C11H18N4O2S2/c1-15(2)8-7-13-11(18)14-9-3-5-10(6-4-9)19(12,16)17/h3-6H,7-8H2,1-2H3,(H2,12,16,17)(H2,13,14,18)
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n/an/a>2.00E+5n/an/an/an/an/an/a



Ume£ University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AChE expressed in HEK293F cells 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)		BDBM50252271
PNG
(CHEMBL4095547)
Show SMILES COc1cc(NC(=S)NCCN2CCOCC2)ccc1Cl
Show InChI InChI=1S/C14H20ClN3O2S/c1-19-13-10-11(2-3-12(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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n/an/a>2.00E+5n/an/an/an/an/an/a



Ume£ University

Curated by ChEMBL


Assay Description
Inhibition of AChE1 in Anopheles gambiae body 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)		BDBM50252265
PNG
(CHEMBL1311140)
Show SMILES COc1ccccc1N=C(S)NCCN1CCOCC1
Show InChI InChI=1S/C14H21N3O2S/c1-18-13-5-3-2-4-12(13)16-14(20)15-6-7-17-8-10-19-11-9-17/h2-5H,6-11H2,1H3,(H2,15,16,20)
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n/an/a>2.00E+5n/an/an/an/an/an/a



Ume£ University

Curated by ChEMBL


Assay Description
Inhibition of AChE1 in Anopheles gambiae body 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


(Homo sapiens (Human))		BDBM50252262
PNG
(CHEMBL4092142)
Show SMILES NS(=O)(=O)c1ccc(NC(=S)NCCN2CCOCC2)cc1
Show InChI InChI=1S/C13H20N4O3S2/c14-22(18,19)12-3-1-11(2-4-12)16-13(21)15-5-6-17-7-9-20-10-8-17/h1-4H,5-10H2,(H2,14,18,19)(H2,15,16,21)
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n/an/a>2.00E+5n/an/an/an/an/an/a



Ume£ University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AChE expressed in HEK293F cells 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


(Homo sapiens (Human))		BDBM50252259
PNG
(CHEMBL4087841)
Show SMILES COc1ccc(NC(=S)NCCN(C)C)cc1
Show InChI InChI=1S/C12H19N3OS/c1-15(2)9-8-13-12(17)14-10-4-6-11(16-3)7-5-10/h4-7H,8-9H2,1-3H3,(H2,13,14,17)
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n/an/a>2.00E+5n/an/an/an/an/an/a



Ume£ University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AChE expressed in HEK293F cells 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)		BDBM50252270
PNG
(CHEMBL1482486)
Show SMILES COc1ccc(NC(S)=NCCN2CCC(C)CC2)cc1
Show InChI InChI=1S/C16H25N3OS/c1-13-7-10-19(11-8-13)12-9-17-16(21)18-14-3-5-15(20-2)6-4-14/h3-6,13H,7-12H2,1-2H3,(H2,17,18,21)
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n/an/a>2.00E+5n/an/an/an/an/an/a



Ume£ University

Curated by ChEMBL


Assay Description
Inhibition of AChE1 in Anopheles gambiae body 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)		BDBM50252259
PNG
(CHEMBL4087841)
Show SMILES COc1ccc(NC(=S)NCCN(C)C)cc1
Show InChI InChI=1S/C12H19N3OS/c1-15(2)9-8-13-12(17)14-10-4-6-11(16-3)7-5-10/h4-7H,8-9H2,1-3H3,(H2,13,14,17)
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n/an/a>2.00E+5n/an/an/an/an/an/a



Ume£ University

Curated by ChEMBL


Assay Description
Inhibition of AChE1 in Anopheles gambiae body 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


(Homo sapiens (Human))		BDBM50252265
PNG
(CHEMBL1311140)
Show SMILES COc1ccccc1N=C(S)NCCN1CCOCC1
Show InChI InChI=1S/C14H21N3O2S/c1-18-13-5-3-2-4-12(13)16-14(20)15-6-7-17-8-10-19-11-9-17/h2-5H,6-11H2,1H3,(H2,15,16,20)
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n/an/a>2.00E+5n/an/an/an/an/an/a



Ume£ University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AChE expressed in HEK293F cells 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


(Homo sapiens (Human))		BDBM50252270
PNG
(CHEMBL1482486)
Show SMILES COc1ccc(NC(S)=NCCN2CCC(C)CC2)cc1
Show InChI InChI=1S/C16H25N3OS/c1-13-7-10-19(11-8-13)12-9-17-16(21)18-14-3-5-15(20-2)6-4-14/h3-6,13H,7-12H2,1-2H3,(H2,17,18,21)
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Ume£ University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AChE expressed in HEK293F cells 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)		BDBM50252261
PNG
(CHEMBL4104206)
Show SMILES FC(F)(F)c1ccc(NC(=S)NCCN2CCCCC2)cc1
Show InChI InChI=1S/C15H20F3N3S/c16-15(17,18)12-4-6-13(7-5-12)20-14(22)19-8-11-21-9-2-1-3-10-21/h4-7H,1-3,8-11H2,(H2,19,20,22)
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Ume£ University

Curated by ChEMBL


Assay Description
Inhibition of AChE1 in Anopheles gambiae body 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


(Homo sapiens (Human))		BDBM50252267
PNG
(CHEMBL4081932)
Show SMILES CC1CCN(CCNC(=S)Nc2cccc(Cl)c2)CC1
Show InChI InChI=1S/C15H22ClN3S/c1-12-5-8-19(9-6-12)10-7-17-15(20)18-14-4-2-3-13(16)11-14/h2-4,11-12H,5-10H2,1H3,(H2,17,18,20)
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Ume£ University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AChE expressed in HEK293F cells 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)		BDBM50252262
PNG
(CHEMBL4092142)
Show SMILES NS(=O)(=O)c1ccc(NC(=S)NCCN2CCOCC2)cc1
Show InChI InChI=1S/C13H20N4O3S2/c14-22(18,19)12-3-1-11(2-4-12)16-13(21)15-5-6-17-7-9-20-10-8-17/h1-4H,5-10H2,(H2,14,18,19)(H2,15,16,21)
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Ume£ University

Curated by ChEMBL


Assay Description
Inhibition of AChE1 in Anopheles gambiae body 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


(Homo sapiens (Human))		BDBM50252261
PNG
(CHEMBL4104206)
Show SMILES FC(F)(F)c1ccc(NC(=S)NCCN2CCCCC2)cc1
Show InChI InChI=1S/C15H20F3N3S/c16-15(17,18)12-4-6-13(7-5-12)20-14(22)19-8-11-21-9-2-1-3-10-21/h4-7H,1-3,8-11H2,(H2,19,20,22)
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Ume£ University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AChE expressed in HEK293F cells 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


(Homo sapiens (Human))		BDBM50252271
PNG
(CHEMBL4095547)
Show SMILES COc1cc(NC(=S)NCCN2CCOCC2)ccc1Cl
Show InChI InChI=1S/C14H20ClN3O2S/c1-19-13-10-11(2-3-12(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 human AChE expressed in HEK293F cells 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


(Homo sapiens (Human))		BDBM50252255
PNG
(CHEMBL1416246)
Show SMILES Clc1cccc(NC(=S)NCCN2CCOCC2)c1
Show InChI InChI=1S/C13H18ClN3OS/c14-11-2-1-3-12(10-11)16-13(19)15-4-5-17-6-8-18-9-7-17/h1-3,10H,4-9H2,(H2,15,16,19)
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n/an/a>2.00E+5n/an/an/an/an/an/a



Ume£ University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AChE expressed in HEK293F cells 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


(Homo sapiens (Human))		BDBM50252254
PNG
(CHEMBL1543212)
Show SMILES COc1ccc(NC(S)=NCCN2CCOCC2)cc1
Show InChI InChI=1S/C14H21N3O2S/c1-18-13-4-2-12(3-5-13)16-14(20)15-6-7-17-8-10-19-11-9-17/h2-5H,6-11H2,1H3,(H2,15,16,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>2.00E+5n/an/an/an/an/an/a



Ume£ University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AChE expressed in HEK293F cells 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
* indicates data uncertainty>20%