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PubMed code 18023348

Compile data set for download or QSAR
Found 16 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
Cholinesterase


(Homo sapiens (Human))		BDBM50227314
PNG
(2-(2,6-dichloropyridin-4-ylcarbamoyloxy)-N,N,N-tri...)
Show SMILES C[N+](C)(C)CCOC(=O)Nc1cc(Cl)nc(Cl)c1
Show InChI InChI=1S/C11H15Cl2N3O2/c1-16(2,3)4-5-18-11(17)14-8-6-9(12)15-10(13)7-8/h6-7H,4-5H2,1-3H3/p+1
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PubMed
 1.95E+4n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of butyrylcholinesterase

Bioorg Med Chem Lett 18: 309-12 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.077
BindingDB Entry DOI: 10.7270/Q2PC3374
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50227319
PNG
(2-(dimethylamino)ethyl pyridin-4-ylcarbamate | CHE...)
Show SMILES CN(C)CCOC(=O)Nc1ccncc1
Show InChI InChI=1S/C10H15N3O2/c1-13(2)7-8-15-10(14)12-9-3-5-11-6-4-9/h3-6H,7-8H2,1-2H3,(H,11,12,14)
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PubMed
 2.04E+4n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of butyrylcholinesterase

Bioorg Med Chem Lett 18: 309-12 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.077
BindingDB Entry DOI: 10.7270/Q2PC3374
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50227314
PNG
(2-(2,6-dichloropyridin-4-ylcarbamoyloxy)-N,N,N-tri...)
Show SMILES C[N+](C)(C)CCOC(=O)Nc1cc(Cl)nc(Cl)c1
Show InChI InChI=1S/C11H15Cl2N3O2/c1-16(2,3)4-5-18-11(17)14-8-6-9(12)15-10(13)7-8/h6-7H,4-5H2,1-3H3/p+1
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PubMed
 6.44E+4n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase

Bioorg Med Chem Lett 18: 309-12 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.077
BindingDB Entry DOI: 10.7270/Q2PC3374
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50227318
PNG
(2-(3-bromopyridin-4-ylcarbamoyloxy)-N,N,N-trimethy...)
Show SMILES C[N+](C)(C)CCOC(=O)Nc1ccncc1Br
Show InChI InChI=1S/C11H16BrN3O2/c1-15(2,3)6-7-17-11(16)14-10-4-5-13-8-9(10)12/h4-5,8H,6-7H2,1-3H3/p+1
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PubMed
 1.16E+5n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase

Bioorg Med Chem Lett 18: 309-12 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.077
BindingDB Entry DOI: 10.7270/Q2PC3374
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50227315
PNG
(2-(dimethylamino)ethyl 2,6-dichloropyridin-4-ylcar...)
Show SMILES CN(C)CCOC(=O)Nc1cc(Cl)nc(Cl)c1
Show InChI InChI=1S/C10H13Cl2N3O2/c1-15(2)3-4-17-10(16)13-7-5-8(11)14-9(12)6-7/h5-6H,3-4H2,1-2H3,(H,13,14,16)
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PubMed
 1.40E+5n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase

Bioorg Med Chem Lett 18: 309-12 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.077
BindingDB Entry DOI: 10.7270/Q2PC3374
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50227312
PNG
(2-(2-chloropyridin-4-ylcarbamoyloxy)-N,N,N-trimeth...)
Show SMILES C[N+](C)(C)CCOC(=O)Nc1ccnc(Cl)c1
Show InChI InChI=1S/C11H16ClN3O2/c1-15(2,3)6-7-17-11(16)14-9-4-5-13-10(12)8-9/h4-5,8H,6-7H2,1-3H3/p+1
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PubMed
 1.51E+5n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase

Bioorg Med Chem Lett 18: 309-12 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.077
BindingDB Entry DOI: 10.7270/Q2PC3374
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50227313
PNG
(CHEMBL254299 | N,N,N-trimethyl-2-(pyridin-4-ylcarb...)
Show SMILES C[N+](C)(C)CCOC(=O)Nc1ccncc1
Show InChI InChI=1S/C11H17N3O2/c1-14(2,3)8-9-16-11(15)13-10-4-6-12-7-5-10/h4-7H,8-9H2,1-3H3/p+1
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PubMed
 1.59E+5n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase

Bioorg Med Chem Lett 18: 309-12 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.077
BindingDB Entry DOI: 10.7270/Q2PC3374
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50227312
PNG
(2-(2-chloropyridin-4-ylcarbamoyloxy)-N,N,N-trimeth...)
Show SMILES C[N+](C)(C)CCOC(=O)Nc1ccnc(Cl)c1
Show InChI InChI=1S/C11H16ClN3O2/c1-15(2,3)6-7-17-11(16)14-9-4-5-13-10(12)8-9/h4-5,8H,6-7H2,1-3H3/p+1
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PubMed
 1.61E+5n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of butyrylcholinesterase

Bioorg Med Chem Lett 18: 309-12 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.077
BindingDB Entry DOI: 10.7270/Q2PC3374
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50227315
PNG
(2-(dimethylamino)ethyl 2,6-dichloropyridin-4-ylcar...)
Show SMILES CN(C)CCOC(=O)Nc1cc(Cl)nc(Cl)c1
Show InChI InChI=1S/C10H13Cl2N3O2/c1-15(2)3-4-17-10(16)13-7-5-8(11)14-9(12)6-7/h5-6H,3-4H2,1-2H3,(H,13,14,16)
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PubMed
 1.75E+5n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of butyrylcholinesterase

Bioorg Med Chem Lett 18: 309-12 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.077
BindingDB Entry DOI: 10.7270/Q2PC3374
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50227316
PNG
(2-(dimethylamino)ethyl 2-chloropyridin-4-ylcarbama...)
Show SMILES CN(C)CCOC(=O)Nc1ccnc(Cl)c1
Show InChI InChI=1S/C10H14ClN3O2/c1-14(2)5-6-16-10(15)13-8-3-4-12-9(11)7-8/h3-4,7H,5-6H2,1-2H3,(H,12,13,15)
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PubMed
 2.08E+5n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase

Bioorg Med Chem Lett 18: 309-12 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.077
BindingDB Entry DOI: 10.7270/Q2PC3374
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50227317
PNG
(2-(dimethylamino)ethyl 3-bromopyridin-4-ylcarbamat...)
Show SMILES CN(C)CCOC(=O)Nc1ccncc1Br
Show InChI InChI=1S/C10H14BrN3O2/c1-14(2)5-6-16-10(15)13-9-3-4-12-7-8(9)11/h3-4,7H,5-6H2,1-2H3,(H,12,13,15)
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PubMed
 2.73E+5n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of butyrylcholinesterase

Bioorg Med Chem Lett 18: 309-12 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.077
BindingDB Entry DOI: 10.7270/Q2PC3374
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50227318
PNG
(2-(3-bromopyridin-4-ylcarbamoyloxy)-N,N,N-trimethy...)
Show SMILES C[N+](C)(C)CCOC(=O)Nc1ccncc1Br
Show InChI InChI=1S/C11H16BrN3O2/c1-15(2,3)6-7-17-11(16)14-10-4-5-13-8-9(10)12/h4-5,8H,6-7H2,1-3H3/p+1
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PubMed
 2.74E+5n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of butyrylcholinesterase

Bioorg Med Chem Lett 18: 309-12 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.077
BindingDB Entry DOI: 10.7270/Q2PC3374
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50227319
PNG
(2-(dimethylamino)ethyl pyridin-4-ylcarbamate | CHE...)
Show SMILES CN(C)CCOC(=O)Nc1ccncc1
Show InChI InChI=1S/C10H15N3O2/c1-13(2)7-8-15-10(14)12-9-3-5-11-6-4-9/h3-6H,7-8H2,1-2H3,(H,11,12,14)
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PubMed
 3.14E+5n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase

Bioorg Med Chem Lett 18: 309-12 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.077
BindingDB Entry DOI: 10.7270/Q2PC3374
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50227317
PNG
(2-(dimethylamino)ethyl 3-bromopyridin-4-ylcarbamat...)
Show SMILES CN(C)CCOC(=O)Nc1ccncc1Br
Show InChI InChI=1S/C10H14BrN3O2/c1-14(2)5-6-16-10(15)13-9-3-4-12-7-8(9)11/h3-4,7H,5-6H2,1-2H3,(H,12,13,15)
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 3.16E+5n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase

Bioorg Med Chem Lett 18: 309-12 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.077
BindingDB Entry DOI: 10.7270/Q2PC3374
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50227316
PNG
(2-(dimethylamino)ethyl 2-chloropyridin-4-ylcarbama...)
Show SMILES CN(C)CCOC(=O)Nc1ccnc(Cl)c1
Show InChI InChI=1S/C10H14ClN3O2/c1-14(2)5-6-16-10(15)13-8-3-4-12-9(11)7-8/h3-4,7H,5-6H2,1-2H3,(H,12,13,15)
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PubMed
 3.80E+5n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of butyrylcholinesterase

Bioorg Med Chem Lett 18: 309-12 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.077
BindingDB Entry DOI: 10.7270/Q2PC3374
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50227313
PNG
(CHEMBL254299 | N,N,N-trimethyl-2-(pyridin-4-ylcarb...)
Show SMILES C[N+](C)(C)CCOC(=O)Nc1ccncc1
Show InChI InChI=1S/C11H17N3O2/c1-14(2,3)8-9-16-11(15)13-10-4-6-12-7-5-10/h4-7H,8-9H2,1-3H3/p+1
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PubMed
 7.54E+5n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of butyrylcholinesterase

Bioorg Med Chem Lett 18: 309-12 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.077
BindingDB Entry DOI: 10.7270/Q2PC3374
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%