BindingDB logo
myBDB logout

PubMed code 27721157

Compile data set for download or QSAR
Found 32 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))		BDBM50210876
PNG
(CHEMBL3951861)
Show SMILES COc1cc2C\C(=C/c3ccc(cc3)N3CCN(CC3)c3ncccn3)C(=O)c2cc1OC
Show InChI InChI=1S/C26H26N4O3/c1-32-23-16-19-15-20(25(31)22(19)17-24(23)33-2)14-18-4-6-21(7-5-18)29-10-12-30(13-11-29)26-27-8-3-9-28-26/h3-9,14,16-17H,10-13,15H2,1-2H3/b20-14+
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 25n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of Electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 2 m...

Eur J Med Chem 125: 736-750 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.057
BindingDB Entry DOI: 10.7270/Q2Z89FJ1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50210869
PNG
(CHEMBL3913721)
Show SMILES COc1cc2C\C(=C/c3ccc(cc3)N3CCN(CC3)C(=O)c3ccoc3)C(=O)c2cc1OC
Show InChI InChI=1S/C27H26N2O5/c1-32-24-15-20-14-21(26(30)23(20)16-25(24)33-2)13-18-3-5-22(6-4-18)28-8-10-29(11-9-28)27(31)19-7-12-34-17-19/h3-7,12-13,15-17H,8-11,14H2,1-2H3/b21-13+
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 34n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of Electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 2 m...

Eur J Med Chem 125: 736-750 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.057
BindingDB Entry DOI: 10.7270/Q2Z89FJ1
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
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
PC cid
PC sid
PDB
UniChem

Patents

Similars
Article
PubMed
n/an/a 39n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of Electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 2 m...

Eur J Med Chem 125: 736-750 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.057
BindingDB Entry DOI: 10.7270/Q2Z89FJ1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50210841
PNG
(CHEMBL3925265)
Show SMILES COc1cc2C\C(=C/c3ccc(cc3)N3CCN(CC3)C(c3ccc(F)cc3)c3ccc(F)cc3)C(=O)c2cc1OC
Show InChI InChI=1S/C35H32F2N2O3/c1-41-32-21-26-20-27(35(40)31(26)22-33(32)42-2)19-23-3-13-30(14-4-23)38-15-17-39(18-16-38)34(24-5-9-28(36)10-6-24)25-7-11-29(37)12-8-25/h3-14,19,21-22,34H,15-18,20H2,1-2H3/b27-19+
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 45n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of Electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 2 m...

Eur J Med Chem 125: 736-750 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.057
BindingDB Entry DOI: 10.7270/Q2Z89FJ1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50210873
PNG
(CHEMBL3944195)
Show SMILES COc1cc2C\C(=C/c3ccc(cc3)N3CCN(CC3)C(c3ccccc3)c3ccccc3)C(=O)c2cc1OC
Show InChI InChI=1S/C35H34N2O3/c1-39-32-23-28-22-29(35(38)31(28)24-33(32)40-2)21-25-13-15-30(16-14-25)36-17-19-37(20-18-36)34(26-9-5-3-6-10-26)27-11-7-4-8-12-27/h3-16,21,23-24,34H,17-20,22H2,1-2H3/b29-21+
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 82n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of Electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 2 m...

Eur J Med Chem 125: 736-750 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.057
BindingDB Entry DOI: 10.7270/Q2Z89FJ1
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50210875
PNG
(CHEMBL3934144)
Show SMILES COc1cc2C\C(=C/c3ccc(cc3)N3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C29H30N2O3/c1-33-27-18-23-17-24(29(32)26(23)19-28(27)34-2)16-21-8-10-25(11-9-21)31-14-12-30(13-15-31)20-22-6-4-3-5-7-22/h3-11,16,18-19H,12-15,17,20H2,1-2H3/b24-16+
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 88n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 2...

Eur J Med Chem 125: 736-750 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.057
BindingDB Entry DOI: 10.7270/Q2Z89FJ1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50210877
PNG
(CHEMBL3972686)
Show SMILES COc1cc2C\C(=C/c3ccc(cc3)N3CCN(CC3)c3ccccn3)C(=O)c2cc1OC
Show InChI InChI=1S/C27H27N3O3/c1-32-24-17-20-16-21(27(31)23(20)18-25(24)33-2)15-19-6-8-22(9-7-19)29-11-13-30(14-12-29)26-5-3-4-10-28-26/h3-10,15,17-18H,11-14,16H2,1-2H3/b21-15+
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 105n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of Electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 2 m...

Eur J Med Chem 125: 736-750 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.057
BindingDB Entry DOI: 10.7270/Q2Z89FJ1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50210837
PNG
(CHEMBL3916256)
Show SMILES COc1cc2C\C(=C/c3ccc(cc3)N3CCN(CC3)c3ccc(C)cc3C)C(=O)c2cc1OC
Show InChI InChI=1S/C30H32N2O3/c1-20-5-10-27(21(2)15-20)32-13-11-31(12-14-32)25-8-6-22(7-9-25)16-24-17-23-18-28(34-3)29(35-4)19-26(23)30(24)33/h5-10,15-16,18-19H,11-14,17H2,1-4H3/b24-16+
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 112n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of Electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 2 m...

Eur J Med Chem 125: 736-750 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.057
BindingDB Entry DOI: 10.7270/Q2Z89FJ1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50210870
PNG
(CHEMBL3902217)
Show SMILES COc1ccc(cc1)N1CCN(CC1)c1ccc(\C=C2/Cc3cc(OC)c(OC)cc3C2=O)cc1
Show InChI InChI=1S/C29H30N2O4/c1-33-25-10-8-24(9-11-25)31-14-12-30(13-15-31)23-6-4-20(5-7-23)16-22-17-21-18-27(34-2)28(35-3)19-26(21)29(22)32/h4-11,16,18-19H,12-15,17H2,1-3H3/b22-16+
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 119n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of Electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 2 m...

Eur J Med Chem 125: 736-750 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.057
BindingDB Entry DOI: 10.7270/Q2Z89FJ1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50210872
PNG
(CHEMBL3893238)
Show SMILES COc1cc2C\C(=C/c3ccc(cc3)N3CCN(CC3)c3ccc(cc3)C(F)(F)F)C(=O)c2cc1OC
Show InChI InChI=1S/C29H27F3N2O3/c1-36-26-17-20-16-21(28(35)25(20)18-27(26)37-2)15-19-3-7-23(8-4-19)33-11-13-34(14-12-33)24-9-5-22(6-10-24)29(30,31)32/h3-10,15,17-18H,11-14,16H2,1-2H3/b21-15+
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 153n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of Electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 2 m...

Eur J Med Chem 125: 736-750 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.057
BindingDB Entry DOI: 10.7270/Q2Z89FJ1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50210836
PNG
(CHEMBL3930181)
Show SMILES COc1cc2C\C(=C/c3ccc(cc3)N3CCN(CC3)c3ccc(C)cc3)C(=O)c2cc1OC
Show InChI InChI=1S/C29H30N2O3/c1-20-4-8-24(9-5-20)30-12-14-31(15-13-30)25-10-6-21(7-11-25)16-23-17-22-18-27(33-2)28(34-3)19-26(22)29(23)32/h4-11,16,18-19H,12-15,17H2,1-3H3/b23-16+
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 194n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of Electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 2 m...

Eur J Med Chem 125: 736-750 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.057
BindingDB Entry DOI: 10.7270/Q2Z89FJ1
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50210872
PNG
(CHEMBL3893238)
Show SMILES COc1cc2C\C(=C/c3ccc(cc3)N3CCN(CC3)c3ccc(cc3)C(F)(F)F)C(=O)c2cc1OC
Show InChI InChI=1S/C29H27F3N2O3/c1-36-26-17-20-16-21(28(35)25(20)18-27(26)37-2)15-19-3-7-23(8-4-19)33-11-13-34(14-12-33)24-9-5-22(6-10-24)29(30,31)32/h3-10,15,17-18H,11-14,16H2,1-2H3/b21-15+
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 214n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 2...

Eur J Med Chem 125: 736-750 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.057
BindingDB Entry DOI: 10.7270/Q2Z89FJ1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50210838
PNG
(CHEMBL3955339)
Show SMILES COc1cc2C\C(=C/c3ccc(cc3)N3CCN(CC3)c3ccc(Cl)cc3)C(=O)c2cc1OC
Show InChI InChI=1S/C28H27ClN2O3/c1-33-26-17-20-16-21(28(32)25(20)18-27(26)34-2)15-19-3-7-23(8-4-19)30-11-13-31(14-12-30)24-9-5-22(29)6-10-24/h3-10,15,17-18H,11-14,16H2,1-2H3/b21-15+
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 291n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of Electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 2 m...

Eur J Med Chem 125: 736-750 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.057
BindingDB Entry DOI: 10.7270/Q2Z89FJ1
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50210871
PNG
(CHEMBL3964617)
Show SMILES COc1cc2C\C(=C/c3ccc(cc3)N3CCN(CC3)C(=O)c3ccccc3)C(=O)c2cc1OC
Show InChI InChI=1S/C29H28N2O4/c1-34-26-18-22-17-23(28(32)25(22)19-27(26)35-2)16-20-8-10-24(11-9-20)30-12-14-31(15-13-30)29(33)21-6-4-3-5-7-21/h3-11,16,18-19H,12-15,17H2,1-2H3/b23-16+
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 365n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 2...

Eur J Med Chem 125: 736-750 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.057
BindingDB Entry DOI: 10.7270/Q2Z89FJ1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50210840
PNG
(CHEMBL3971579)
Show SMILES COc1cc2C\C(=C/c3ccc(cc3)N3CCN(CC3)c3ccc(F)cc3)C(=O)c2cc1OC
Show InChI InChI=1S/C28H27FN2O3/c1-33-26-17-20-16-21(28(32)25(20)18-27(26)34-2)15-19-3-7-23(8-4-19)30-11-13-31(14-12-30)24-9-5-22(29)6-10-24/h3-10,15,17-18H,11-14,16H2,1-2H3/b21-15+
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 528n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of Electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 2 m...

Eur J Med Chem 125: 736-750 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.057
BindingDB Entry DOI: 10.7270/Q2Z89FJ1
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50210870
PNG
(CHEMBL3902217)
Show SMILES COc1ccc(cc1)N1CCN(CC1)c1ccc(\C=C2/Cc3cc(OC)c(OC)cc3C2=O)cc1
Show InChI InChI=1S/C29H30N2O4/c1-33-25-10-8-24(9-11-25)31-14-12-30(13-15-31)23-6-4-20(5-7-23)16-22-17-21-18-27(34-2)28(35-3)19-26(21)29(22)32/h4-11,16,18-19H,12-15,17H2,1-3H3/b22-16+
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 603n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 2...

Eur J Med Chem 125: 736-750 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.057
BindingDB Entry DOI: 10.7270/Q2Z89FJ1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50210839
PNG
(CHEMBL3965447)
Show SMILES COc1cc2C\C(=C/c3ccc(cc3)N3CCN(CC3)c3ccccc3)C(=O)c2cc1OC
Show InChI InChI=1S/C28H28N2O3/c1-32-26-18-21-17-22(28(31)25(21)19-27(26)33-2)16-20-8-10-24(11-9-20)30-14-12-29(13-15-30)23-6-4-3-5-7-23/h3-11,16,18-19H,12-15,17H2,1-2H3/b22-16+
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.31E+3n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of Electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 2 m...

Eur J Med Chem 125: 736-750 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.057
BindingDB Entry DOI: 10.7270/Q2Z89FJ1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50210871
PNG
(CHEMBL3964617)
Show SMILES COc1cc2C\C(=C/c3ccc(cc3)N3CCN(CC3)C(=O)c3ccccc3)C(=O)c2cc1OC
Show InChI InChI=1S/C29H28N2O4/c1-34-26-18-22-17-23(28(32)25(22)19-27(26)35-2)16-20-8-10-24(11-9-20)30-12-14-31(15-13-30)29(33)21-6-4-3-5-7-21/h3-11,16,18-19H,12-15,17H2,1-2H3/b23-16+
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.70E+3n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of Electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 2 m...

Eur J Med Chem 125: 736-750 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.057
BindingDB Entry DOI: 10.7270/Q2Z89FJ1
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50210877
PNG
(CHEMBL3972686)
Show SMILES COc1cc2C\C(=C/c3ccc(cc3)N3CCN(CC3)c3ccccn3)C(=O)c2cc1OC
Show InChI InChI=1S/C27H27N3O3/c1-32-24-17-20-16-21(27(31)23(20)18-25(24)33-2)15-19-6-8-22(9-7-19)29-11-13-30(14-12-29)26-5-3-4-10-28-26/h3-10,15,17-18H,11-14,16H2,1-2H3/b21-15+
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.74E+3n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 2...

Eur J Med Chem 125: 736-750 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.057
BindingDB Entry DOI: 10.7270/Q2Z89FJ1
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50210836
PNG
(CHEMBL3930181)
Show SMILES COc1cc2C\C(=C/c3ccc(cc3)N3CCN(CC3)c3ccc(C)cc3)C(=O)c2cc1OC
Show InChI InChI=1S/C29H30N2O3/c1-20-4-8-24(9-5-20)30-12-14-31(15-13-30)25-10-6-21(7-11-25)16-23-17-22-18-27(33-2)28(34-3)19-26(22)29(23)32/h4-11,16,18-19H,12-15,17H2,1-3H3/b23-16+
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.85E+3n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 2...

Eur J Med Chem 125: 736-750 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.057
BindingDB Entry DOI: 10.7270/Q2Z89FJ1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50210874
PNG
(CHEMBL3961645)
Show SMILES COc1cc2C\C(=C/c3ccc(cc3)N3CCN(Cc4ccc5OCOc5c4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C30H30N2O5/c1-34-27-16-22-15-23(30(33)25(22)17-28(27)35-2)13-20-3-6-24(7-4-20)32-11-9-31(10-12-32)18-21-5-8-26-29(14-21)37-19-36-26/h3-8,13-14,16-17H,9-12,15,18-19H2,1-2H3/b23-13+
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.86E+3n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of Electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 2 m...

Eur J Med Chem 125: 736-750 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.057
BindingDB Entry DOI: 10.7270/Q2Z89FJ1
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50210869
PNG
(CHEMBL3913721)
Show SMILES COc1cc2C\C(=C/c3ccc(cc3)N3CCN(CC3)C(=O)c3ccoc3)C(=O)c2cc1OC
Show InChI InChI=1S/C27H26N2O5/c1-32-24-15-20-14-21(26(30)23(20)16-25(24)33-2)13-18-3-5-22(6-4-18)28-8-10-29(11-9-28)27(31)19-7-12-34-17-19/h3-7,12-13,15-17H,8-11,14H2,1-2H3/b21-13+
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.97E+3n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 2...

Eur J Med Chem 125: 736-750 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.057
BindingDB Entry DOI: 10.7270/Q2Z89FJ1
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50210838
PNG
(CHEMBL3955339)
Show SMILES COc1cc2C\C(=C/c3ccc(cc3)N3CCN(CC3)c3ccc(Cl)cc3)C(=O)c2cc1OC
Show InChI InChI=1S/C28H27ClN2O3/c1-33-26-17-20-16-21(28(32)25(20)18-27(26)34-2)15-19-3-7-23(8-4-19)30-11-13-31(14-12-30)24-9-5-22(29)6-10-24/h3-10,15,17-18H,11-14,16H2,1-2H3/b21-15+
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 2.22E+3n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 2...

Eur J Med Chem 125: 736-750 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.057
BindingDB Entry DOI: 10.7270/Q2Z89FJ1
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50210876
PNG
(CHEMBL3951861)
Show SMILES COc1cc2C\C(=C/c3ccc(cc3)N3CCN(CC3)c3ncccn3)C(=O)c2cc1OC
Show InChI InChI=1S/C26H26N4O3/c1-32-23-16-19-15-20(25(31)22(19)17-24(23)33-2)14-18-4-6-21(7-5-18)29-10-12-30(13-11-29)26-27-8-3-9-28-26/h3-9,14,16-17H,10-13,15H2,1-2H3/b20-14+
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 2.43E+3n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 2...

Eur J Med Chem 125: 736-750 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.057
BindingDB Entry DOI: 10.7270/Q2Z89FJ1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50210875
PNG
(CHEMBL3934144)
Show SMILES COc1cc2C\C(=C/c3ccc(cc3)N3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C29H30N2O3/c1-33-27-18-23-17-24(29(32)26(23)19-28(27)34-2)16-21-8-10-25(11-9-21)31-14-12-30(13-15-31)20-22-6-4-3-5-7-22/h3-11,16,18-19H,12-15,17,20H2,1-2H3/b24-16+
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 2.62E+3n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of Electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 2 m...

Eur J Med Chem 125: 736-750 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.057
BindingDB Entry DOI: 10.7270/Q2Z89FJ1
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50210841
PNG
(CHEMBL3925265)
Show SMILES COc1cc2C\C(=C/c3ccc(cc3)N3CCN(CC3)C(c3ccc(F)cc3)c3ccc(F)cc3)C(=O)c2cc1OC
Show InChI InChI=1S/C35H32F2N2O3/c1-41-32-21-26-20-27(35(40)31(26)22-33(32)42-2)19-23-3-13-30(14-4-23)38-15-17-39(18-16-38)34(24-5-9-28(36)10-6-24)25-7-11-29(37)12-8-25/h3-14,19,21-22,34H,15-18,20H2,1-2H3/b27-19+
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 3.02E+3n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 2...

Eur J Med Chem 125: 736-750 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.057
BindingDB Entry DOI: 10.7270/Q2Z89FJ1
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50210840
PNG
(CHEMBL3971579)
Show SMILES COc1cc2C\C(=C/c3ccc(cc3)N3CCN(CC3)c3ccc(F)cc3)C(=O)c2cc1OC
Show InChI InChI=1S/C28H27FN2O3/c1-33-26-17-20-16-21(28(32)25(20)18-27(26)34-2)15-19-3-7-23(8-4-19)30-11-13-31(14-12-30)24-9-5-22(29)6-10-24/h3-10,15,17-18H,11-14,16H2,1-2H3/b21-15+
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 3.25E+3n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 2...

Eur J Med Chem 125: 736-750 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.057
BindingDB Entry DOI: 10.7270/Q2Z89FJ1
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
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
PC cid
PC sid
PDB
UniChem

Patents

Similars
Article
PubMed
n/an/a 3.36E+3n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 2...

Eur J Med Chem 125: 736-750 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.057
BindingDB Entry DOI: 10.7270/Q2Z89FJ1
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50210873
PNG
(CHEMBL3944195)
Show SMILES COc1cc2C\C(=C/c3ccc(cc3)N3CCN(CC3)C(c3ccccc3)c3ccccc3)C(=O)c2cc1OC
Show InChI InChI=1S/C35H34N2O3/c1-39-32-23-28-22-29(35(38)31(28)24-33(32)40-2)21-25-13-15-30(16-14-25)36-17-19-37(20-18-36)34(26-9-5-3-6-10-26)27-11-7-4-8-12-27/h3-16,21,23-24,34H,17-20,22H2,1-2H3/b29-21+
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.89E+3n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 2...

Eur J Med Chem 125: 736-750 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.057
BindingDB Entry DOI: 10.7270/Q2Z89FJ1
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50210837
PNG
(CHEMBL3916256)
Show SMILES COc1cc2C\C(=C/c3ccc(cc3)N3CCN(CC3)c3ccc(C)cc3C)C(=O)c2cc1OC
Show InChI InChI=1S/C30H32N2O3/c1-20-5-10-27(21(2)15-20)32-13-11-31(12-14-32)25-8-6-22(7-9-25)16-24-17-23-18-28(34-3)29(35-4)19-26(23)30(24)33/h5-10,15-16,18-19H,11-14,17H2,1-4H3/b24-16+
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 5.13E+3n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 2...

Eur J Med Chem 125: 736-750 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.057
BindingDB Entry DOI: 10.7270/Q2Z89FJ1
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50210839
PNG
(CHEMBL3965447)
Show SMILES COc1cc2C\C(=C/c3ccc(cc3)N3CCN(CC3)c3ccccc3)C(=O)c2cc1OC
Show InChI InChI=1S/C28H28N2O3/c1-32-26-18-21-17-22(28(31)25(21)19-27(26)33-2)16-20-8-10-24(11-9-20)30-14-12-29(13-15-30)23-6-4-3-5-7-23/h3-11,16,18-19H,12-15,17H2,1-2H3/b22-16+
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 5.98E+3n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 2...

Eur J Med Chem 125: 736-750 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.057
BindingDB Entry DOI: 10.7270/Q2Z89FJ1
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50210874
PNG
(CHEMBL3961645)
Show SMILES COc1cc2C\C(=C/c3ccc(cc3)N3CCN(Cc4ccc5OCOc5c4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C30H30N2O5/c1-34-27-16-22-15-23(30(33)25(22)17-28(27)35-2)13-20-3-6-24(7-4-20)32-11-9-31(10-12-32)18-21-5-8-26-29(14-21)37-19-36-26/h3-8,13-14,16-17H,9-12,15,18-19H2,1-2H3/b23-13+
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.22E+4n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 2...

Eur J Med Chem 125: 736-750 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.057
BindingDB Entry DOI: 10.7270/Q2Z89FJ1
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%