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PubMed code 26454504

Compile data set for download or QSAR
Found 28 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))		BDBM50128528
PNG
(CHEMBL3628617)
Show SMILES [Br-].COc1ccc2C(=O)\C(OCc2c1OC)=C\c1cc[n+](Cc2ccc(F)cc2)cc1
Show InChI InChI=1S/C24H21FNO4.BrH/c1-28-21-8-7-19-20(24(21)29-2)15-30-22(23(19)27)13-16-9-11-26(12-10-16)14-17-3-5-18(25)6-4-17;/h3-13H,14-15H2,1-2H3;1H/q+1;/p-1/b22-13-;
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n/an/a 8.90n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using thiocholine iodide as substrate by Ellman's method

Bioorg Med Chem Lett 25: 5212-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.063
BindingDB Entry DOI: 10.7270/Q2B56MKS
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50128545
PNG
(CHEMBL3628621)
Show SMILES [Br-].COc1ccc2C(=O)\C(OCc2c1OC)=C\c1cc[n+](Cc2ccccc2Cl)cc1
Show InChI InChI=1S/C24H21ClNO4.BrH/c1-28-21-8-7-18-19(24(21)29-2)15-30-22(23(18)27)13-16-9-11-26(12-10-16)14-17-5-3-4-6-20(17)25;/h3-13H,14-15H2,1-2H3;1H/q+1;/p-1/b22-13-;
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n/an/a 16n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using thiocholine iodide as substrate by Ellman's method

Bioorg Med Chem Lett 25: 5212-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.063
BindingDB Entry DOI: 10.7270/Q2B56MKS
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50128566
PNG
(CHEMBL3628615)
Show SMILES [Br-].COc1ccc2C(=O)\C(OCc2c1OC)=C\c1cc[n+](Cc2ccccc2F)cc1
Show InChI InChI=1S/C24H21FNO4.BrH/c1-28-21-8-7-18-19(24(21)29-2)15-30-22(23(18)27)13-16-9-11-26(12-10-16)14-17-5-3-4-6-20(17)25;/h3-13H,14-15H2,1-2H3;1H/q+1;/p-1/b22-13-;
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n/an/a 21n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using thiocholine iodide as substrate by Ellman's method

Bioorg Med Chem Lett 25: 5212-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.063
BindingDB Entry DOI: 10.7270/Q2B56MKS
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50128558
PNG
(CHEMBL3628616)
Show SMILES [Br-].COc1ccc2C(=O)\C(OCc2c1OC)=C\c1cc[n+](Cc2cccc(F)c2)cc1
Show InChI InChI=1S/C24H21FNO4.BrH/c1-28-21-7-6-19-20(24(21)29-2)15-30-22(23(19)27)13-16-8-10-26(11-9-16)14-17-4-3-5-18(25)12-17;/h3-13H,14-15H2,1-2H3;1H/q+1;/p-1/b22-13-;
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n/an/a 26n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using thiocholine iodide as substrate by Ellman's method

Bioorg Med Chem Lett 25: 5212-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.063
BindingDB Entry DOI: 10.7270/Q2B56MKS
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50128553
PNG
(CHEMBL3628614)
Show SMILES [Br-].COc1ccc2C(=O)\C(OCc2c1OC)=C\c1cc[n+](Cc2ccccc2)cc1
Show InChI InChI=1S/C24H22NO4.BrH/c1-27-21-9-8-19-20(24(21)28-2)16-29-22(23(19)26)14-17-10-12-25(13-11-17)15-18-6-4-3-5-7-18;/h3-14H,15-16H2,1-2H3;1H/q+1;/p-1/b22-14-;
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n/an/a 45n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using thiocholine iodide as substrate by Ellman's method

Bioorg Med Chem Lett 25: 5212-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.063
BindingDB Entry DOI: 10.7270/Q2B56MKS
More data for this
Ligand-Target Pair
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 60n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using thiocholine iodide as substrate by Ellman's method

Bioorg Med Chem Lett 25: 5212-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.063
BindingDB Entry DOI: 10.7270/Q2B56MKS
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50128549
PNG
(CHEMBL3628622)
Show SMILES [Br-].COc1ccc2C(=O)\C(OCc2c1OC)=C\c1cc[n+](Cc2cccc(Cl)c2)cc1
Show InChI InChI=1S/C24H21ClNO4.BrH/c1-28-21-7-6-19-20(24(21)29-2)15-30-22(23(19)27)13-16-8-10-26(11-9-16)14-17-4-3-5-18(25)12-17;/h3-13H,14-15H2,1-2H3;1H/q+1;/p-1/b22-13-;
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n/an/a 70n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using thiocholine iodide as substrate by Ellman's method

Bioorg Med Chem Lett 25: 5212-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.063
BindingDB Entry DOI: 10.7270/Q2B56MKS
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50128526
PNG
(CHEMBL3628619)
Show SMILES [Br-].COc1cccc(C[n+]2ccc(\C=C3/OCc4c(OC)c(OC)ccc4C3=O)cc2)c1
Show InChI InChI=1S/C25H24NO5.BrH/c1-28-19-6-4-5-18(13-19)15-26-11-9-17(10-12-26)14-23-24(27)20-7-8-22(29-2)25(30-3)21(20)16-31-23;/h4-14H,15-16H2,1-3H3;1H/q+1;/p-1/b23-14-;
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n/an/a 441n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using thiocholine iodide as substrate by Ellman's method

Bioorg Med Chem Lett 25: 5212-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.063
BindingDB Entry DOI: 10.7270/Q2B56MKS
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50128541
PNG
(CHEMBL3628625)
Show SMILES [Br-].COc1ccc2C(=O)\C(OCc2c1OC)=C\c1cc[n+](Cc2cccc(c2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C24H21N2O6.BrH/c1-30-21-7-6-19-20(24(21)31-2)15-32-22(23(19)27)13-16-8-10-25(11-9-16)14-17-4-3-5-18(12-17)26(28)29;/h3-13H,14-15H2,1-2H3;1H/q+1;/p-1/b22-13-;
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n/an/a 456n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using thiocholine iodide as substrate by Ellman's method

Bioorg Med Chem Lett 25: 5212-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.063
BindingDB Entry DOI: 10.7270/Q2B56MKS
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50128559
PNG
(CHEMBL3628624)
Show SMILES [Br-].COc1ccc2C(=O)\C(OCc2c1OC)=C\c1cc[n+](Cc2ccccc2[N+]([O-])=O)cc1
Show InChI InChI=1S/C24H21N2O6.BrH/c1-30-21-8-7-18-19(24(21)31-2)15-32-22(23(18)27)13-16-9-11-25(12-10-16)14-17-5-3-4-6-20(17)26(28)29;/h3-13H,14-15H2,1-2H3;1H/q+1;/p-1/b22-13-;
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n/an/a 503n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using thiocholine iodide as substrate by Ellman's method

Bioorg Med Chem Lett 25: 5212-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.063
BindingDB Entry DOI: 10.7270/Q2B56MKS
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50128525
PNG
(CHEMBL3628618)
Show SMILES [Br-].COc1ccccc1C[n+]1ccc(\C=C2/OCc3c(OC)c(OC)ccc3C2=O)cc1
Show InChI InChI=1S/C25H24NO5.BrH/c1-28-21-7-5-4-6-18(21)15-26-12-10-17(11-13-26)14-23-24(27)19-8-9-22(29-2)25(30-3)20(19)16-31-23;/h4-14H,15-16H2,1-3H3;1H/q+1;/p-1/b23-14-;
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n/an/a 640n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using thiocholine iodide as substrate by Ellman's method

Bioorg Med Chem Lett 25: 5212-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.063
BindingDB Entry DOI: 10.7270/Q2B56MKS
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50128562
PNG
(CHEMBL3628623)
Show SMILES [Br-].COc1ccc2C(=O)\C(OCc2c1OC)=C\c1cc[n+](Cc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C24H21ClNO4.BrH/c1-28-21-8-7-19-20(24(21)29-2)15-30-22(23(19)27)13-16-9-11-26(12-10-16)14-17-3-5-18(25)6-4-17;/h3-13H,14-15H2,1-2H3;1H/q+1;/p-1/b22-13-;
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n/an/a 646n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using thiocholine iodide as substrate by Ellman's method

Bioorg Med Chem Lett 25: 5212-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.063
BindingDB Entry DOI: 10.7270/Q2B56MKS
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50128527
PNG
(CHEMBL3628620)
Show SMILES [Br-].COc1ccc(C[n+]2ccc(\C=C3/OCc4c(OC)c(OC)ccc4C3=O)cc2)cc1
Show InChI InChI=1S/C25H24NO5.BrH/c1-28-19-6-4-18(5-7-19)15-26-12-10-17(11-13-26)14-23-24(27)20-8-9-22(29-2)25(30-3)21(20)16-31-23;/h4-14H,15-16H2,1-3H3;1H/q+1;/p-1/b23-14-;
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n/an/a 1.19E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using thiocholine iodide as substrate by Ellman's method

Bioorg Med Chem Lett 25: 5212-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.063
BindingDB Entry DOI: 10.7270/Q2B56MKS
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50128528
PNG
(CHEMBL3628617)
Show SMILES [Br-].COc1ccc2C(=O)\C(OCc2c1OC)=C\c1cc[n+](Cc2ccc(F)cc2)cc1
Show InChI InChI=1S/C24H21FNO4.BrH/c1-28-21-8-7-19-20(24(21)29-2)15-30-22(23(19)27)13-16-9-11-26(12-10-16)14-17-3-5-18(25)6-4-17;/h3-13H,14-15H2,1-2H3;1H/q+1;/p-1/b22-13-;
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n/an/a 2.07E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


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

Bioorg Med Chem Lett 25: 5212-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.063
BindingDB Entry DOI: 10.7270/Q2B56MKS
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50128526
PNG
(CHEMBL3628619)
Show SMILES [Br-].COc1cccc(C[n+]2ccc(\C=C3/OCc4c(OC)c(OC)ccc4C3=O)cc2)c1
Show InChI InChI=1S/C25H24NO5.BrH/c1-28-19-6-4-5-18(13-19)15-26-11-9-17(10-12-26)14-23-24(27)20-7-8-22(29-2)25(30-3)21(20)16-31-23;/h4-14H,15-16H2,1-3H3;1H/q+1;/p-1/b23-14-;
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n/an/a 3.06E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


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

Bioorg Med Chem Lett 25: 5212-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.063
BindingDB Entry DOI: 10.7270/Q2B56MKS
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50128524
PNG
(CHEMBL3628626)
Show SMILES [Br-].COc1ccc2C(=O)\C(OCc2c1OC)=C\c1cc[n+](Cc2ccc(cc2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C24H21N2O6.BrH/c1-30-21-8-7-19-20(24(21)31-2)15-32-22(23(19)27)13-16-9-11-25(12-10-16)14-17-3-5-18(6-4-17)26(28)29;/h3-13H,14-15H2,1-2H3;1H/q+1;/p-1/b22-13-;
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n/an/a 3.55E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using thiocholine iodide as substrate by Ellman's method

Bioorg Med Chem Lett 25: 5212-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.063
BindingDB Entry DOI: 10.7270/Q2B56MKS
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50128562
PNG
(CHEMBL3628623)
Show SMILES [Br-].COc1ccc2C(=O)\C(OCc2c1OC)=C\c1cc[n+](Cc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C24H21ClNO4.BrH/c1-28-21-8-7-19-20(24(21)29-2)15-30-22(23(19)27)13-16-9-11-26(12-10-16)14-17-3-5-18(25)6-4-17;/h3-13H,14-15H2,1-2H3;1H/q+1;/p-1/b22-13-;
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n/an/a 3.56E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


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

Bioorg Med Chem Lett 25: 5212-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.063
BindingDB Entry DOI: 10.7270/Q2B56MKS
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		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 3.62E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


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

Bioorg Med Chem Lett 25: 5212-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.063
BindingDB Entry DOI: 10.7270/Q2B56MKS
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50128545
PNG
(CHEMBL3628621)
Show SMILES [Br-].COc1ccc2C(=O)\C(OCc2c1OC)=C\c1cc[n+](Cc2ccccc2Cl)cc1
Show InChI InChI=1S/C24H21ClNO4.BrH/c1-28-21-8-7-18-19(24(21)29-2)15-30-22(23(18)27)13-16-9-11-26(12-10-16)14-17-5-3-4-6-20(17)25;/h3-13H,14-15H2,1-2H3;1H/q+1;/p-1/b22-13-;
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n/an/a 3.64E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


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

Bioorg Med Chem Lett 25: 5212-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.063
BindingDB Entry DOI: 10.7270/Q2B56MKS
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50128527
PNG
(CHEMBL3628620)
Show SMILES [Br-].COc1ccc(C[n+]2ccc(\C=C3/OCc4c(OC)c(OC)ccc4C3=O)cc2)cc1
Show InChI InChI=1S/C25H24NO5.BrH/c1-28-19-6-4-18(5-7-19)15-26-12-10-17(11-13-26)14-23-24(27)20-8-9-22(29-2)25(30-3)21(20)16-31-23;/h4-14H,15-16H2,1-3H3;1H/q+1;/p-1/b23-14-;
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n/an/a 4.33E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


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

Bioorg Med Chem Lett 25: 5212-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.063
BindingDB Entry DOI: 10.7270/Q2B56MKS
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50128566
PNG
(CHEMBL3628615)
Show SMILES [Br-].COc1ccc2C(=O)\C(OCc2c1OC)=C\c1cc[n+](Cc2ccccc2F)cc1
Show InChI InChI=1S/C24H21FNO4.BrH/c1-28-21-8-7-18-19(24(21)29-2)15-30-22(23(18)27)13-16-9-11-26(12-10-16)14-17-5-3-4-6-20(17)25;/h3-13H,14-15H2,1-2H3;1H/q+1;/p-1/b22-13-;
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n/an/a 4.41E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


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

Bioorg Med Chem Lett 25: 5212-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.063
BindingDB Entry DOI: 10.7270/Q2B56MKS
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50128553
PNG
(CHEMBL3628614)
Show SMILES [Br-].COc1ccc2C(=O)\C(OCc2c1OC)=C\c1cc[n+](Cc2ccccc2)cc1
Show InChI InChI=1S/C24H22NO4.BrH/c1-27-21-9-8-19-20(24(21)28-2)16-29-22(23(19)26)14-17-10-12-25(13-11-17)15-18-6-4-3-5-7-18;/h3-14H,15-16H2,1-2H3;1H/q+1;/p-1/b22-14-;
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n/an/a 6.87E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


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

Bioorg Med Chem Lett 25: 5212-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.063
BindingDB Entry DOI: 10.7270/Q2B56MKS
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50128525
PNG
(CHEMBL3628618)
Show SMILES [Br-].COc1ccccc1C[n+]1ccc(\C=C2/OCc3c(OC)c(OC)ccc3C2=O)cc1
Show InChI InChI=1S/C25H24NO5.BrH/c1-28-21-7-5-4-6-18(21)15-26-12-10-17(11-13-26)14-23-24(27)19-8-9-22(29-2)25(30-3)20(19)16-31-23;/h4-14H,15-16H2,1-3H3;1H/q+1;/p-1/b23-14-;
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n/an/a 8.79E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


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

Bioorg Med Chem Lett 25: 5212-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.063
BindingDB Entry DOI: 10.7270/Q2B56MKS
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50128558
PNG
(CHEMBL3628616)
Show SMILES [Br-].COc1ccc2C(=O)\C(OCc2c1OC)=C\c1cc[n+](Cc2cccc(F)c2)cc1
Show InChI InChI=1S/C24H21FNO4.BrH/c1-28-21-7-6-19-20(24(21)29-2)15-30-22(23(19)27)13-16-8-10-26(11-9-16)14-17-4-3-5-18(25)12-17;/h3-13H,14-15H2,1-2H3;1H/q+1;/p-1/b22-13-;
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n/an/a 9.44E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


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

Bioorg Med Chem Lett 25: 5212-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.063
BindingDB Entry DOI: 10.7270/Q2B56MKS
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50128549
PNG
(CHEMBL3628622)
Show SMILES [Br-].COc1ccc2C(=O)\C(OCc2c1OC)=C\c1cc[n+](Cc2cccc(Cl)c2)cc1
Show InChI InChI=1S/C24H21ClNO4.BrH/c1-28-21-7-6-19-20(24(21)29-2)15-30-22(23(19)27)13-16-8-10-26(11-9-16)14-17-4-3-5-18(25)12-17;/h3-13H,14-15H2,1-2H3;1H/q+1;/p-1/b22-13-;
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n/an/a 9.92E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


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

Bioorg Med Chem Lett 25: 5212-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.063
BindingDB Entry DOI: 10.7270/Q2B56MKS
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50128559
PNG
(CHEMBL3628624)
Show SMILES [Br-].COc1ccc2C(=O)\C(OCc2c1OC)=C\c1cc[n+](Cc2ccccc2[N+]([O-])=O)cc1
Show InChI InChI=1S/C24H21N2O6.BrH/c1-30-21-8-7-18-19(24(21)31-2)15-32-22(23(18)27)13-16-9-11-25(12-10-16)14-17-5-3-4-6-20(17)26(28)29;/h3-13H,14-15H2,1-2H3;1H/q+1;/p-1/b22-13-;
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n/an/a 2.09E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


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

Bioorg Med Chem Lett 25: 5212-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.063
BindingDB Entry DOI: 10.7270/Q2B56MKS
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50128541
PNG
(CHEMBL3628625)
Show SMILES [Br-].COc1ccc2C(=O)\C(OCc2c1OC)=C\c1cc[n+](Cc2cccc(c2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C24H21N2O6.BrH/c1-30-21-7-6-19-20(24(21)31-2)15-32-22(23(19)27)13-16-8-10-25(11-9-16)14-17-4-3-5-18(12-17)26(28)29;/h3-13H,14-15H2,1-2H3;1H/q+1;/p-1/b22-13-;
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n/an/a 2.92E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


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

Bioorg Med Chem Lett 25: 5212-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.063
BindingDB Entry DOI: 10.7270/Q2B56MKS
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50128524
PNG
(CHEMBL3628626)
Show SMILES [Br-].COc1ccc2C(=O)\C(OCc2c1OC)=C\c1cc[n+](Cc2ccc(cc2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C24H21N2O6.BrH/c1-30-21-8-7-19-20(24(21)31-2)15-32-22(23(19)27)13-16-9-11-25(12-10-16)14-17-3-5-18(6-4-17)26(28)29;/h3-13H,14-15H2,1-2H3;1H/q+1;/p-1/b22-13-;
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n/an/a>1.00E+5n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


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

Bioorg Med Chem Lett 25: 5212-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.063
BindingDB Entry DOI: 10.7270/Q2B56MKS
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%