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PubMed code 23434223

Compile data set for download or QSAR
Found 21 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


(Electrophorus electricus (Electric eel))		BDBM8960
PNG
((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3
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n/an/a 120n/an/an/an/an/an/a



Madurai Kamaraj University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE after 30 mins by Ellman's method

Bioorg Med Chem Lett 23: 2101-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.122
BindingDB Entry DOI: 10.7270/Q2BZ67DX
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50431817
PNG
(CHEMBL2347105)
Show SMILES COc1ccc(cc1)C1Cc2c(S1)c(-c1ccc(OC)cc1)c(C#N)c(N)c2C#N
Show InChI InChI=1S/C24H19N3O2S/c1-28-16-7-3-14(4-8-16)21-11-18-19(12-25)23(27)20(13-26)22(24(18)30-21)15-5-9-17(29-2)10-6-15/h3-10,21H,11,27H2,1-2H3
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n/an/a 4.16E+3n/an/an/an/an/an/a



Madurai Kamaraj University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE after 30 mins by Ellman's method

Bioorg Med Chem Lett 23: 2101-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.122
BindingDB Entry DOI: 10.7270/Q2BZ67DX
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50431830
PNG
(CHEMBL2347092)
Show SMILES Cc1ccc(cc1)C1Cc2c(S1)c(-c1ccc(C)cc1)c(C#N)c(N)c2C#N
Show InChI InChI=1S/C24H19N3S/c1-14-3-7-16(8-4-14)21-11-18-19(12-25)23(27)20(13-26)22(24(18)28-21)17-9-5-15(2)6-10-17/h3-10,21H,11,27H2,1-2H3
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n/an/a 4.24E+3n/an/an/an/an/an/a



Madurai Kamaraj University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE after 30 mins by Ellman's method

Bioorg Med Chem Lett 23: 2101-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.122
BindingDB Entry DOI: 10.7270/Q2BZ67DX
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50431835
PNG
(CHEMBL2347087)
Show SMILES COc1ccc(cc1)-c1c2SC(Cc2c(C#N)c(N)c1C#N)c1ccccc1
Show InChI InChI=1S/C23H17N3OS/c1-27-16-9-7-15(8-10-16)21-19(13-25)22(26)18(12-24)17-11-20(28-23(17)21)14-5-3-2-4-6-14/h2-10,20H,11,26H2,1H3
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n/an/a 5.11E+3n/an/an/an/an/an/a



Madurai Kamaraj University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE after 30 mins by Ellman's method

Bioorg Med Chem Lett 23: 2101-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.122
BindingDB Entry DOI: 10.7270/Q2BZ67DX
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50431836
PNG
(CHEMBL2347106)
Show SMILES Cc1ccc(cc1)-c1c2SC(Cc2c(C#N)c(N)c1C#N)c1ccccc1
Show InChI InChI=1S/C23H17N3S/c1-14-7-9-16(10-8-14)21-19(13-25)22(26)18(12-24)17-11-20(27-23(17)21)15-5-3-2-4-6-15/h2-10,20H,11,26H2,1H3
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n/an/a 9.62E+3n/an/an/an/an/an/a



Madurai Kamaraj University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE after 30 mins by Ellman's method

Bioorg Med Chem Lett 23: 2101-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.122
BindingDB Entry DOI: 10.7270/Q2BZ67DX
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50431829
PNG
(CHEMBL2347093)
Show SMILES COc1ccc(cc1)-c1c2SC(Cc2c(C#N)c(N)c1C#N)c1ccc(C)cc1
Show InChI InChI=1S/C24H19N3OS/c1-14-3-5-15(6-4-14)21-11-18-19(12-25)23(27)20(13-26)22(24(18)29-21)16-7-9-17(28-2)10-8-16/h3-10,21H,11,27H2,1-2H3
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n/an/a 1.13E+4n/an/an/an/an/an/a



Madurai Kamaraj University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE after 30 mins by Ellman's method

Bioorg Med Chem Lett 23: 2101-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.122
BindingDB Entry DOI: 10.7270/Q2BZ67DX
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50431818
PNG
(CHEMBL2347104)
Show SMILES COc1ccc(cc1)C1Cc2c(S1)c(-c1ccc(C)cc1)c(C#N)c(N)c2C#N
Show InChI InChI=1S/C24H19N3OS/c1-14-3-5-16(6-4-14)22-20(13-26)23(27)19(12-25)18-11-21(29-24(18)22)15-7-9-17(28-2)10-8-15/h3-10,21H,11,27H2,1-2H3
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n/an/a 1.16E+4n/an/an/an/an/an/a



Madurai Kamaraj University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE after 30 mins by Ellman's method

Bioorg Med Chem Lett 23: 2101-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.122
BindingDB Entry DOI: 10.7270/Q2BZ67DX
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50431828
PNG
(CHEMBL2347094)
Show SMILES Cc1ccc(cc1)C1Cc2c(S1)c(-c1ccc(Cl)cc1)c(C#N)c(N)c2C#N
Show InChI InChI=1S/C23H16ClN3S/c1-13-2-4-14(5-3-13)20-10-17-18(11-25)22(27)19(12-26)21(23(17)28-20)15-6-8-16(24)9-7-15/h2-9,20H,10,27H2,1H3
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n/an/a 1.36E+4n/an/an/an/an/an/a



Madurai Kamaraj University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE after 30 mins by Ellman's method

Bioorg Med Chem Lett 23: 2101-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.122
BindingDB Entry DOI: 10.7270/Q2BZ67DX
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50431823
PNG
(CHEMBL2347099)
Show SMILES Cc1ccc(cc1)-c1c2SC(Cc2c(C#N)c(N)c1C#N)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H16ClN3S/c1-13-2-4-15(5-3-13)21-19(12-26)22(27)18(11-25)17-10-20(28-23(17)21)14-6-8-16(24)9-7-14/h2-9,20H,10,27H2,1H3
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n/an/a 1.73E+4n/an/an/an/an/an/a



Madurai Kamaraj University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE after 30 mins by Ellman's method

Bioorg Med Chem Lett 23: 2101-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.122
BindingDB Entry DOI: 10.7270/Q2BZ67DX
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50431827
PNG
(CHEMBL2347095)
Show SMILES Cc1ccc(cc1)C1Cc2c(S1)c(-c1ccc(F)cc1)c(C#N)c(N)c2C#N
Show InChI InChI=1S/C23H16FN3S/c1-13-2-4-14(5-3-13)20-10-17-18(11-25)22(27)19(12-26)21(23(17)28-20)15-6-8-16(24)9-7-15/h2-9,20H,10,27H2,1H3
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n/an/a 1.81E+4n/an/an/an/an/an/a



Madurai Kamaraj University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE after 30 mins by Ellman's method

Bioorg Med Chem Lett 23: 2101-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.122
BindingDB Entry DOI: 10.7270/Q2BZ67DX
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50431826
PNG
(CHEMBL2347096)
Show SMILES Cc1ccc(cc1)C1Cc2c(S1)c(-c1ccc(Br)cc1)c(C#N)c(N)c2C#N
Show InChI InChI=1S/C23H16BrN3S/c1-13-2-4-14(5-3-13)20-10-17-18(11-25)22(27)19(12-26)21(23(17)28-20)15-6-8-16(24)9-7-15/h2-9,20H,10,27H2,1H3
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n/an/a 2.42E+4n/an/an/an/an/an/a



Madurai Kamaraj University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE after 30 mins by Ellman's method

Bioorg Med Chem Lett 23: 2101-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.122
BindingDB Entry DOI: 10.7270/Q2BZ67DX
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50431822
PNG
(CHEMBL2347100)
Show SMILES COc1ccc(cc1)-c1c2SC(Cc2c(C#N)c(N)c1C#N)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H16ClN3OS/c1-28-16-8-4-14(5-9-16)21-19(12-26)22(27)18(11-25)17-10-20(29-23(17)21)13-2-6-15(24)7-3-13/h2-9,20H,10,27H2,1H3
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n/an/a 2.66E+4n/an/an/an/an/an/a



Madurai Kamaraj University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE after 30 mins by Ellman's method

Bioorg Med Chem Lett 23: 2101-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.122
BindingDB Entry DOI: 10.7270/Q2BZ67DX
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50431834
PNG
(CHEMBL2347088)
Show SMILES Nc1c(C#N)c2CC(Sc2c(-c2ccc(Cl)cc2)c1C#N)c1ccccc1
Show InChI InChI=1S/C22H14ClN3S/c23-15-8-6-14(7-9-15)20-18(12-25)21(26)17(11-24)16-10-19(27-22(16)20)13-4-2-1-3-5-13/h1-9,19H,10,26H2
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n/an/a 2.92E+4n/an/an/an/an/an/a



Madurai Kamaraj University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE after 30 mins by Ellman's method

Bioorg Med Chem Lett 23: 2101-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.122
BindingDB Entry DOI: 10.7270/Q2BZ67DX
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50431833
PNG
(CHEMBL2347089)
Show SMILES Nc1c(C#N)c2CC(Sc2c(-c2ccc(F)cc2)c1C#N)c1ccccc1
Show InChI InChI=1S/C22H14FN3S/c23-15-8-6-14(7-9-15)20-18(12-25)21(26)17(11-24)16-10-19(27-22(16)20)13-4-2-1-3-5-13/h1-9,19H,10,26H2
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n/an/a 3.23E+4n/an/an/an/an/an/a



Madurai Kamaraj University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE after 30 mins by Ellman's method

Bioorg Med Chem Lett 23: 2101-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.122
BindingDB Entry DOI: 10.7270/Q2BZ67DX
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50431821
PNG
(CHEMBL2347101)
Show SMILES Nc1c(C#N)c2CC(Sc2c(-c2ccc(Cl)cc2)c1C#N)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H13Cl2N3S/c23-14-5-1-12(2-6-14)19-9-16-17(10-25)21(27)18(11-26)20(22(16)28-19)13-3-7-15(24)8-4-13/h1-8,19H,9,27H2
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n/an/a 3.41E+4n/an/an/an/an/an/a



Madurai Kamaraj University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE after 30 mins by Ellman's method

Bioorg Med Chem Lett 23: 2101-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.122
BindingDB Entry DOI: 10.7270/Q2BZ67DX
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50431831
PNG
(CHEMBL2347091)
Show SMILES CC(C)c1ccc(cc1)-c1c2SC(Cc2c(C#N)c(N)c1C#N)c1ccccc1
Show InChI InChI=1S/C25H21N3S/c1-15(2)16-8-10-18(11-9-16)23-21(14-27)24(28)20(13-26)19-12-22(29-25(19)23)17-6-4-3-5-7-17/h3-11,15,22H,12,28H2,1-2H3
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n/an/a 3.71E+4n/an/an/an/an/an/a



Madurai Kamaraj University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE after 30 mins by Ellman's method

Bioorg Med Chem Lett 23: 2101-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.122
BindingDB Entry DOI: 10.7270/Q2BZ67DX
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50431832
PNG
(CHEMBL2347090)
Show SMILES Nc1c(C#N)c2CC(Sc2c(-c2ccc(Br)cc2)c1C#N)c1ccccc1
Show InChI InChI=1S/C22H14BrN3S/c23-15-8-6-14(7-9-15)20-18(12-25)21(26)17(11-24)16-10-19(27-22(16)20)13-4-2-1-3-5-13/h1-9,19H,10,26H2
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n/an/a 3.79E+4n/an/an/an/an/an/a



Madurai Kamaraj University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE after 30 mins by Ellman's method

Bioorg Med Chem Lett 23: 2101-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.122
BindingDB Entry DOI: 10.7270/Q2BZ67DX
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50431820
PNG
(CHEMBL2347102)
Show SMILES Nc1c(C#N)c2CC(Sc2c(-c2ccc(F)cc2)c1C#N)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H13ClFN3S/c23-14-5-1-12(2-6-14)19-9-16-17(10-25)21(27)18(11-26)20(22(16)28-19)13-3-7-15(24)8-4-13/h1-8,19H,9,27H2
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n/an/a 3.92E+4n/an/an/an/an/an/a



Madurai Kamaraj University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE after 30 mins by Ellman's method

Bioorg Med Chem Lett 23: 2101-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.122
BindingDB Entry DOI: 10.7270/Q2BZ67DX
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50431819
PNG
(CHEMBL2347103)
Show SMILES Nc1c(C#N)c2CC(Sc2c(-c2ccc(Br)cc2)c1C#N)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H13BrClN3S/c23-14-5-1-13(2-6-14)20-18(11-26)21(27)17(10-25)16-9-19(28-22(16)20)12-3-7-15(24)8-4-12/h1-8,19H,9,27H2
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n/an/a 4.13E+4n/an/an/an/an/an/a



Madurai Kamaraj University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE after 30 mins by Ellman's method

Bioorg Med Chem Lett 23: 2101-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.122
BindingDB Entry DOI: 10.7270/Q2BZ67DX
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50431824
PNG
(CHEMBL2347098)
Show SMILES CC(C)c1ccc(cc1)C1Cc2c(S1)c(-c1ccc(F)cc1)c(C#N)c(N)c2C#N
Show InChI InChI=1S/C25H20FN3S/c1-14(2)15-3-5-16(6-4-15)22-11-19-20(12-27)24(29)21(13-28)23(25(19)30-22)17-7-9-18(26)10-8-17/h3-10,14,22H,11,29H2,1-2H3
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n/an/a 4.42E+4n/an/an/an/an/an/a



Madurai Kamaraj University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE after 30 mins by Ellman's method

Bioorg Med Chem Lett 23: 2101-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.122
BindingDB Entry DOI: 10.7270/Q2BZ67DX
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50431825
PNG
(CHEMBL2347097)
Show SMILES CC(C)c1ccc(cc1)C1Cc2c(S1)c(-c1ccc(Cl)cc1)c(C#N)c(N)c2C#N
Show InChI InChI=1S/C25H20ClN3S/c1-14(2)15-3-5-16(6-4-15)22-11-19-20(12-27)24(29)21(13-28)23(25(19)30-22)17-7-9-18(26)10-8-17/h3-10,14,22H,11,29H2,1-2H3
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n/an/a 4.83E+4n/an/an/an/an/an/a



Madurai Kamaraj University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE after 30 mins by Ellman's method

Bioorg Med Chem Lett 23: 2101-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.122
BindingDB Entry DOI: 10.7270/Q2BZ67DX
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%