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PubMed code 24731278

Compile data set for download or QSAR
Found 22 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


(Equus caballus (Horse))
BDBM50400024
PNG
(CHEMBL2177719)
Show SMILES CCN(C)C(=O)Oc1cccc2NCC(CCN)c12
Show InChI InChI=1S/C14H21N3O2/c1-3-17(2)14(18)19-12-6-4-5-11-13(12)10(7-8-15)9-16-11/h4-6,10,16H,3,7-9,15H2,1-2H3
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n/an/a 200n/an/an/an/an/an/a



Bar Ilan University

Curated by ChEMBL


Assay Description
Inhibition of BuChE in equine serum using butylthiocholine iodide as substrate by Ellman's method


Bioorg Med Chem Lett 24: 2283-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.081
BindingDB Entry DOI: 10.7270/Q21V5GHZ
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50400020
PNG
(CHEMBL2181475)
Show SMILES CCN(C)C(=O)Oc1cccc2NCC(CCC(=O)OC)c12
Show InChI InChI=1S/C16H22N2O4/c1-4-18(2)16(20)22-13-7-5-6-12-15(13)11(10-17-12)8-9-14(19)21-3/h5-7,11,17H,4,8-10H2,1-3H3
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n/an/a 300n/an/an/an/an/an/a



Bar Ilan University

Curated by ChEMBL


Assay Description
Inhibition of BuChE in equine serum using butylthiocholine iodide as substrate by Ellman's method


Bioorg Med Chem Lett 24: 2283-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.081
BindingDB Entry DOI: 10.7270/Q21V5GHZ
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50013328
PNG
(CHEMBL3263347)
Show SMILES Cl.CCN(C)C(=O)Oc1cccc2NCC(CCN(C)C)c12
Show InChI InChI=1S/C16H25N3O2.ClH/c1-5-19(4)16(20)21-14-8-6-7-13-15(14)12(11-17-13)9-10-18(2)3;/h6-8,12,17H,5,9-11H2,1-4H3;1H
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n/an/a 310n/an/an/an/an/an/a



Bar Ilan University

Curated by ChEMBL


Assay Description
Inhibition of BuChE in equine serum using butylthiocholine iodide as substrate by Ellman's method


Bioorg Med Chem Lett 24: 2283-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.081
BindingDB Entry DOI: 10.7270/Q21V5GHZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50400024
PNG
(CHEMBL2177719)
Show SMILES CCN(C)C(=O)Oc1cccc2NCC(CCN)c12
Show InChI InChI=1S/C14H21N3O2/c1-3-17(2)14(18)19-12-6-4-5-11-13(12)10(7-8-15)9-16-11/h4-6,10,16H,3,7-9,15H2,1-2H3
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n/an/a 400n/an/an/an/an/an/a



Bar Ilan University

Curated by ChEMBL


Assay Description
Inhibition of AChE in bovine erythrocytes using acetylthiocholine iodide as substrate by Ellman's method


Bioorg Med Chem Lett 24: 2283-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.081
BindingDB Entry DOI: 10.7270/Q21V5GHZ
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50400027
PNG
(CHEMBL2177716)
Show SMILES CCN(C)C(=O)Oc1cccc2N(CCC(=O)OC)CCc12
Show InChI InChI=1S/C16H22N2O4/c1-4-17(2)16(20)22-14-7-5-6-13-12(14)8-10-18(13)11-9-15(19)21-3/h5-7H,4,8-11H2,1-3H3
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n/an/a 700n/an/an/an/an/an/a



Bar Ilan University

Curated by ChEMBL


Assay Description
Inhibition of BuChE in equine serum using butylthiocholine iodide as substrate by Ellman's method


Bioorg Med Chem Lett 24: 2283-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.081
BindingDB Entry DOI: 10.7270/Q21V5GHZ
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50013334
PNG
(CHEMBL3263351)
Show SMILES Cl.CCN(C)C(=O)Oc1cccc2N(CCCN(C)C)CCc12
Show InChI InChI=1S/C17H27N3O2.ClH/c1-5-19(4)17(21)22-16-9-6-8-15-14(16)10-13-20(15)12-7-11-18(2)3;/h6,8-9H,5,7,10-13H2,1-4H3;1H
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n/an/a 900n/an/an/an/an/an/a



Bar Ilan University

Curated by ChEMBL


Assay Description
Inhibition of BuChE in equine serum using butylthiocholine iodide as substrate by Ellman's method


Bioorg Med Chem Lett 24: 2283-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.081
BindingDB Entry DOI: 10.7270/Q21V5GHZ
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50013332
PNG
(CHEMBL3263349)
Show SMILES Cl.CCN(C)C(=O)Oc1cccc2NCC(CCCN)c12
Show InChI InChI=1S/C15H23N3O2.ClH/c1-3-18(2)15(19)20-13-8-4-7-12-14(13)11(10-17-12)6-5-9-16;/h4,7-8,11,17H,3,5-6,9-10,16H2,1-2H3;1H
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n/an/a 1.20E+3n/an/an/an/an/an/a



Bar Ilan University

Curated by ChEMBL


Assay Description
Inhibition of BuChE in equine serum using butylthiocholine iodide as substrate by Ellman's method


Bioorg Med Chem Lett 24: 2283-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.081
BindingDB Entry DOI: 10.7270/Q21V5GHZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50013328
PNG
(CHEMBL3263347)
Show SMILES Cl.CCN(C)C(=O)Oc1cccc2NCC(CCN(C)C)c12
Show InChI InChI=1S/C16H25N3O2.ClH/c1-5-19(4)16(20)21-14-8-6-7-13-15(14)12(11-17-13)9-10-18(2)3;/h6-8,12,17H,5,9-11H2,1-4H3;1H
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n/an/a 1.30E+3n/an/an/an/an/an/a



Bar Ilan University

Curated by ChEMBL


Assay Description
Inhibition of AChE in bovine erythrocytes using acetylthiocholine iodide as substrate by Ellman's method


Bioorg Med Chem Lett 24: 2283-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.081
BindingDB Entry DOI: 10.7270/Q21V5GHZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50013332
PNG
(CHEMBL3263349)
Show SMILES Cl.CCN(C)C(=O)Oc1cccc2NCC(CCCN)c12
Show InChI InChI=1S/C15H23N3O2.ClH/c1-3-18(2)15(19)20-13-8-4-7-12-14(13)11(10-17-12)6-5-9-16;/h4,7-8,11,17H,3,5-6,9-10,16H2,1-2H3;1H
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n/an/a 1.80E+3n/an/an/an/an/an/a



Bar Ilan University

Curated by ChEMBL


Assay Description
Inhibition of AChE in bovine erythrocytes using acetylthiocholine iodide as substrate by Ellman's method


Bioorg Med Chem Lett 24: 2283-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.081
BindingDB Entry DOI: 10.7270/Q21V5GHZ
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50013331
PNG
(CHEMBL3263348)
Show SMILES Cl.CCN(C)C(=O)Oc1ccc2C(CCN(C)C)CNc2c1
Show InChI InChI=1S/C16H25N3O2.ClH/c1-5-19(4)16(20)21-13-6-7-14-12(8-9-18(2)3)11-17-15(14)10-13;/h6-7,10,12,17H,5,8-9,11H2,1-4H3;1H
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n/an/a 2.20E+3n/an/an/an/an/an/a



Bar Ilan University

Curated by ChEMBL


Assay Description
Inhibition of BuChE in equine serum using butylthiocholine iodide as substrate by Ellman's method


Bioorg Med Chem Lett 24: 2283-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.081
BindingDB Entry DOI: 10.7270/Q21V5GHZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50013334
PNG
(CHEMBL3263351)
Show SMILES Cl.CCN(C)C(=O)Oc1cccc2N(CCCN(C)C)CCc12
Show InChI InChI=1S/C17H27N3O2.ClH/c1-5-19(4)17(21)22-16-9-6-8-15-14(16)10-13-20(15)12-7-11-18(2)3;/h6,8-9H,5,7,10-13H2,1-4H3;1H
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n/an/a 3.70E+3n/an/an/an/an/an/a



Bar Ilan University

Curated by ChEMBL


Assay Description
Inhibition of AChE in bovine erythrocytes using acetylthiocholine iodide as substrate by Ellman's method


Bioorg Med Chem Lett 24: 2283-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.081
BindingDB Entry DOI: 10.7270/Q21V5GHZ
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50400009
PNG
(CHEMBL2177708)
Show SMILES CCN(C)C(=O)Oc1ccc2C(CCC(=O)OC)CNc2c1
Show InChI InChI=1S/C16H22N2O4/c1-4-18(2)16(20)22-12-6-7-13-11(5-8-15(19)21-3)10-17-14(13)9-12/h6-7,9,11,17H,4-5,8,10H2,1-3H3
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n/an/a 3.90E+3n/an/an/an/an/an/a



Bar Ilan University

Curated by ChEMBL


Assay Description
Inhibition of BuChE in equine serum using butylthiocholine iodide as substrate by Ellman's method


Bioorg Med Chem Lett 24: 2283-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.081
BindingDB Entry DOI: 10.7270/Q21V5GHZ
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50013382
PNG
(CHEMBL3263352)
Show SMILES Cl.CCN(C)C(=O)Oc1ccc2CCN(CCCN(C)C)c2c1
Show InChI InChI=1S/C17H27N3O2.ClH/c1-5-19(4)17(21)22-15-8-7-14-9-12-20(16(14)13-15)11-6-10-18(2)3;/h7-8,13H,5-6,9-12H2,1-4H3;1H
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n/an/a 4.27E+3n/an/an/an/an/an/a



Bar Ilan University

Curated by ChEMBL


Assay Description
Inhibition of BuChE in equine serum using butylthiocholine iodide as substrate by Ellman's method


Bioorg Med Chem Lett 24: 2283-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.081
BindingDB Entry DOI: 10.7270/Q21V5GHZ
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50013333
PNG
(CHEMBL3263350)
Show SMILES Cl.CCN(C)C(=O)Oc1ccc2C(CCCN)CNc2c1
Show InChI InChI=1S/C15H23N3O2.ClH/c1-3-18(2)15(19)20-12-6-7-13-11(5-4-8-16)10-17-14(13)9-12;/h6-7,9,11,17H,3-5,8,10,16H2,1-2H3;1H
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n/an/a 4.70E+3n/an/an/an/an/an/a



Bar Ilan University

Curated by ChEMBL


Assay Description
Inhibition of BuChE in equine serum using butylthiocholine iodide as substrate by Ellman's method


Bioorg Med Chem Lett 24: 2283-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.081
BindingDB Entry DOI: 10.7270/Q21V5GHZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50400027
PNG
(CHEMBL2177716)
Show SMILES CCN(C)C(=O)Oc1cccc2N(CCC(=O)OC)CCc12
Show InChI InChI=1S/C16H22N2O4/c1-4-17(2)16(20)22-14-7-5-6-13-12(14)8-10-18(13)11-9-15(19)21-3/h5-7H,4,8-11H2,1-3H3
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n/an/a 5.60E+3n/an/an/an/an/an/a



Bar Ilan University

Curated by ChEMBL


Assay Description
Inhibition of AChE in bovine erythrocytes using acetylthiocholine iodide as substrate by Ellman's method


Bioorg Med Chem Lett 24: 2283-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.081
BindingDB Entry DOI: 10.7270/Q21V5GHZ
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50400025
PNG
(CHEMBL2177718)
Show SMILES CCN(C)C(=O)Oc1ccc2CCN(CCC(=O)OC)c2c1
Show InChI InChI=1S/C16H22N2O4/c1-4-17(2)16(20)22-13-6-5-12-7-9-18(14(12)11-13)10-8-15(19)21-3/h5-6,11H,4,7-10H2,1-3H3
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n/an/a 6.78E+3n/an/an/an/an/an/a



Bar Ilan University

Curated by ChEMBL


Assay Description
Inhibition of BuChE in equine serum using butylthiocholine iodide as substrate by Ellman's method


Bioorg Med Chem Lett 24: 2283-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.081
BindingDB Entry DOI: 10.7270/Q21V5GHZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50400020
PNG
(CHEMBL2181475)
Show SMILES CCN(C)C(=O)Oc1cccc2NCC(CCC(=O)OC)c12
Show InChI InChI=1S/C16H22N2O4/c1-4-18(2)16(20)22-13-7-5-6-12-15(13)11(10-17-12)8-9-14(19)21-3/h5-7,11,17H,4,8-10H2,1-3H3
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n/an/a 7.40E+3n/an/an/an/an/an/a



Bar Ilan University

Curated by ChEMBL


Assay Description
Inhibition of AChE in bovine erythrocytes using acetylthiocholine iodide as substrate by Ellman's method


Bioorg Med Chem Lett 24: 2283-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.081
BindingDB Entry DOI: 10.7270/Q21V5GHZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50013331
PNG
(CHEMBL3263348)
Show SMILES Cl.CCN(C)C(=O)Oc1ccc2C(CCN(C)C)CNc2c1
Show InChI InChI=1S/C16H25N3O2.ClH/c1-5-19(4)16(20)21-13-6-7-14-12(8-9-18(2)3)11-17-15(14)10-13;/h6-7,10,12,17H,5,8-9,11H2,1-4H3;1H
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n/an/a 2.13E+4n/an/an/an/an/an/a



Bar Ilan University

Curated by ChEMBL


Assay Description
Inhibition of AChE in bovine erythrocytes using acetylthiocholine iodide as substrate by Ellman's method


Bioorg Med Chem Lett 24: 2283-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.081
BindingDB Entry DOI: 10.7270/Q21V5GHZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50013333
PNG
(CHEMBL3263350)
Show SMILES Cl.CCN(C)C(=O)Oc1ccc2C(CCCN)CNc2c1
Show InChI InChI=1S/C15H23N3O2.ClH/c1-3-18(2)15(19)20-12-6-7-13-11(5-4-8-16)10-17-14(13)9-12;/h6-7,9,11,17H,3-5,8,10,16H2,1-2H3;1H
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n/an/a 3.60E+4n/an/an/an/an/an/a



Bar Ilan University

Curated by ChEMBL


Assay Description
Inhibition of AChE in bovine erythrocytes using acetylthiocholine iodide as substrate by Ellman's method


Bioorg Med Chem Lett 24: 2283-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.081
BindingDB Entry DOI: 10.7270/Q21V5GHZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50013382
PNG
(CHEMBL3263352)
Show SMILES Cl.CCN(C)C(=O)Oc1ccc2CCN(CCCN(C)C)c2c1
Show InChI InChI=1S/C17H27N3O2.ClH/c1-5-19(4)17(21)22-15-8-7-14-9-12-20(16(14)13-15)11-6-10-18(2)3;/h7-8,13H,5-6,9-12H2,1-4H3;1H
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n/an/a 4.80E+4n/an/an/an/an/an/a



Bar Ilan University

Curated by ChEMBL


Assay Description
Inhibition of AChE in bovine erythrocytes using acetylthiocholine iodide as substrate by Ellman's method


Bioorg Med Chem Lett 24: 2283-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.081
BindingDB Entry DOI: 10.7270/Q21V5GHZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50400009
PNG
(CHEMBL2177708)
Show SMILES CCN(C)C(=O)Oc1ccc2C(CCC(=O)OC)CNc2c1
Show InChI InChI=1S/C16H22N2O4/c1-4-18(2)16(20)22-12-6-7-13-11(5-8-15(19)21-3)10-17-14(13)9-12/h6-7,9,11,17H,4-5,8,10H2,1-3H3
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n/an/a 5.52E+4n/an/an/an/an/an/a



Bar Ilan University

Curated by ChEMBL


Assay Description
Inhibition of AChE in bovine erythrocytes using acetylthiocholine iodide as substrate by Ellman's method


Bioorg Med Chem Lett 24: 2283-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.081
BindingDB Entry DOI: 10.7270/Q21V5GHZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50400025
PNG
(CHEMBL2177718)
Show SMILES CCN(C)C(=O)Oc1ccc2CCN(CCC(=O)OC)c2c1
Show InChI InChI=1S/C16H22N2O4/c1-4-17(2)16(20)22-13-6-5-12-7-9-18(14(12)11-13)10-8-15(19)21-3/h5-6,11H,4,7-10H2,1-3H3
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n/an/a 3.77E+5n/an/an/an/an/an/a



Bar Ilan University

Curated by ChEMBL


Assay Description
Inhibition of AChE in bovine erythrocytes using acetylthiocholine iodide as substrate by Ellman's method


Bioorg Med Chem Lett 24: 2283-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.081
BindingDB Entry DOI: 10.7270/Q21V5GHZ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%