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Compile Data Set for Download or QSAR

Found 36 hits Enz. Inhib. hit(s) with all data for entry = 50042324   
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


(Bos taurus (bovine))
BDBM50424045
PNG
(CHEMBL2314726)
Show SMILES COc1cc2cc(NC(=O)[C@H]3CCC[C@H](C3)NCc3ccccc3)c(=O)oc2cc1OC |r|
Show InChI InChI=1S/C25H28N2O5/c1-30-22-13-18-12-20(25(29)32-21(18)14-23(22)31-2)27-24(28)17-9-6-10-19(11-17)26-15-16-7-4-3-5-8-16/h3-5,7-8,12-14,17,19,26H,6,9-11,15H2,1-2H3,(H,27,28)/t17-,19+/m0/s1
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8.60n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari Aldo Moro

Curated by ChEMBL


Assay Description
Mixed-type reversible inhibition of bovine acetylcholinesterase using S-acetylthiocholine as substrate incubated for 20 mins prior to substrate addit...


Bioorg Med Chem 21: 146-52 (2012)


Article DOI: 10.1016/j.bmc.2012.10.045
BindingDB Entry DOI: 10.7270/Q2QV3NTH
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
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 2n/an/an/an/an/an/a



Universit£ degli Studi di Bari Aldo Moro

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase (unknown origin)


Bioorg Med Chem 21: 146-52 (2012)


Article DOI: 10.1016/j.bmc.2012.10.045
BindingDB Entry DOI: 10.7270/Q2QV3NTH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Acetylcholinesterase


(Bos taurus (bovine))
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 4.20n/an/an/an/an/an/a



Universit£ degli Studi di Bari Aldo Moro

Curated by ChEMBL


Assay Description
Inhibition of bovine acetylcholinesterase using acetylcholine iodide as substrate incubated for 20 mins prior to substrate addition meausred after 3 ...


Bioorg Med Chem 21: 146-52 (2012)


Article DOI: 10.1016/j.bmc.2012.10.045
BindingDB Entry DOI: 10.7270/Q2QV3NTH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50424045
PNG
(CHEMBL2314726)
Show SMILES COc1cc2cc(NC(=O)[C@H]3CCC[C@H](C3)NCc3ccccc3)c(=O)oc2cc1OC |r|
Show InChI InChI=1S/C25H28N2O5/c1-30-22-13-18-12-20(25(29)32-21(18)14-23(22)31-2)27-24(28)17-9-6-10-19(11-17)26-15-16-7-4-3-5-8-16/h3-5,7-8,12-14,17,19,26H,6,9-11,15H2,1-2H3,(H,27,28)/t17-,19+/m0/s1
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n/an/a 7.60n/an/an/an/an/an/a



Universit£ degli Studi di Bari Aldo Moro

Curated by ChEMBL


Assay Description
Inhibition of bovine acetylcholinesterase using acetylcholine iodide as substrate incubated for 20 mins prior to substrate addition meausred after 3 ...


Bioorg Med Chem 21: 146-52 (2012)


Article DOI: 10.1016/j.bmc.2012.10.045
BindingDB Entry DOI: 10.7270/Q2QV3NTH
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50424054
PNG
(CHEMBL2314720)
Show SMILES COc1cc2cc(C(=O)OC3CCN(Cc4ccccc4)CC3)c(=O)oc2cc1OC
Show InChI InChI=1S/C24H25NO6/c1-28-21-13-17-12-19(24(27)31-20(17)14-22(21)29-2)23(26)30-18-8-10-25(11-9-18)15-16-6-4-3-5-7-16/h3-7,12-14,18H,8-11,15H2,1-2H3
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n/an/a 14n/an/an/an/an/an/a



Universit£ degli Studi di Bari Aldo Moro

Curated by ChEMBL


Assay Description
Inhibition of bovine acetylcholinesterase using acetylcholine iodide as substrate incubated for 20 mins prior to substrate addition meausred after 3 ...


Bioorg Med Chem 21: 146-52 (2012)


Article DOI: 10.1016/j.bmc.2012.10.045
BindingDB Entry DOI: 10.7270/Q2QV3NTH
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM8961
PNG
(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)
Show SMILES Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)
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n/an/a 20n/an/an/an/an/an/a



Universit£ degli Studi di Bari Aldo Moro

Curated by ChEMBL


Assay Description
Inhibition of butyrylcholinesterase (unknown origin)


Bioorg Med Chem 21: 146-52 (2012)


Article DOI: 10.1016/j.bmc.2012.10.045
BindingDB Entry DOI: 10.7270/Q2QV3NTH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50424058
PNG
(CHEMBL2314429)
Show SMILES COc1cc2cc(C(=O)NCCCCN(C)Cc3ccccc3)c(=O)oc2cc1OC
Show InChI InChI=1S/C24H28N2O5/c1-26(16-17-9-5-4-6-10-17)12-8-7-11-25-23(27)19-13-18-14-21(29-2)22(30-3)15-20(18)31-24(19)28/h4-6,9-10,13-15H,7-8,11-12,16H2,1-3H3,(H,25,27)
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n/an/a 21n/an/an/an/an/an/a



Universit£ degli Studi di Bari Aldo Moro

Curated by ChEMBL


Assay Description
Inhibition of bovine acetylcholinesterase using acetylcholine iodide as substrate incubated for 20 mins prior to substrate addition meausred after 3 ...


Bioorg Med Chem 21: 146-52 (2012)


Article DOI: 10.1016/j.bmc.2012.10.045
BindingDB Entry DOI: 10.7270/Q2QV3NTH
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50424042
PNG
(CHEMBL2314731)
Show SMILES COc1cc2cc(OCC3CCN(Cc4ccccc4)CC3)c(=O)oc2cc1OC
Show InChI InChI=1S/C24H27NO5/c1-27-21-12-19-13-23(24(26)30-20(19)14-22(21)28-2)29-16-18-8-10-25(11-9-18)15-17-6-4-3-5-7-17/h3-7,12-14,18H,8-11,15-16H2,1-2H3
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n/an/a 21n/an/an/an/an/an/a



Universit£ degli Studi di Bari Aldo Moro

Curated by ChEMBL


Assay Description
Inhibition of bovine acetylcholinesterase using acetylcholine iodide as substrate incubated for 20 mins prior to substrate addition meausred after 3 ...


Bioorg Med Chem 21: 146-52 (2012)


Article DOI: 10.1016/j.bmc.2012.10.045
BindingDB Entry DOI: 10.7270/Q2QV3NTH
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50424055
PNG
(CHEMBL2314432)
Show SMILES COc1cc2cc(C(=O)NC3CCN(Cc4ccccc4)CC3)c(=O)oc2cc1OC
Show InChI InChI=1S/C24H26N2O5/c1-29-21-13-17-12-19(24(28)31-20(17)14-22(21)30-2)23(27)25-18-8-10-26(11-9-18)15-16-6-4-3-5-7-16/h3-7,12-14,18H,8-11,15H2,1-2H3,(H,25,27)
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n/an/a 28n/an/an/an/an/an/a



Universit£ degli Studi di Bari Aldo Moro

Curated by ChEMBL


Assay Description
Inhibition of bovine acetylcholinesterase using acetylcholine iodide as substrate incubated for 20 mins prior to substrate addition meausred after 3 ...


Bioorg Med Chem 21: 146-52 (2012)


Article DOI: 10.1016/j.bmc.2012.10.045
BindingDB Entry DOI: 10.7270/Q2QV3NTH
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50424045
PNG
(CHEMBL2314726)
Show SMILES COc1cc2cc(NC(=O)[C@H]3CCC[C@H](C3)NCc3ccccc3)c(=O)oc2cc1OC |r|
Show InChI InChI=1S/C25H28N2O5/c1-30-22-13-18-12-20(25(29)32-21(18)14-23(22)31-2)27-24(28)17-9-6-10-19(11-17)26-15-16-7-4-3-5-8-16/h3-5,7-8,12-14,17,19,26H,6,9-11,15H2,1-2H3,(H,27,28)/t17-,19+/m0/s1
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n/an/a 43n/an/an/an/an/an/a



Universit£ degli Studi di Bari Aldo Moro

Curated by ChEMBL


Assay Description
Inhibition of human acetylcholinesterase


Bioorg Med Chem 21: 146-52 (2012)


Article DOI: 10.1016/j.bmc.2012.10.045
BindingDB Entry DOI: 10.7270/Q2QV3NTH
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50424046
PNG
(CHEMBL2314721)
Show SMILES COc1cc2cc(C(=O)OCC3CCN(Cc4ccccc4)CC3)c(=O)oc2cc1OC
Show InChI InChI=1S/C25H27NO6/c1-29-22-13-19-12-20(25(28)32-21(19)14-23(22)30-2)24(27)31-16-18-8-10-26(11-9-18)15-17-6-4-3-5-7-17/h3-7,12-14,18H,8-11,15-16H2,1-2H3
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n/an/a 73n/an/an/an/an/an/a



Universit£ degli Studi di Bari Aldo Moro

Curated by ChEMBL


Assay Description
Inhibition of bovine acetylcholinesterase using acetylcholine iodide as substrate incubated for 20 mins prior to substrate addition meausred after 3 ...


Bioorg Med Chem 21: 146-52 (2012)


Article DOI: 10.1016/j.bmc.2012.10.045
BindingDB Entry DOI: 10.7270/Q2QV3NTH
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50424059
PNG
(CHEMBL2314428)
Show SMILES COc1cc2cc(C(=O)NCCCN(C)Cc3ccccc3)c(=O)oc2cc1OC
Show InChI InChI=1S/C23H26N2O5/c1-25(15-16-8-5-4-6-9-16)11-7-10-24-22(26)18-12-17-13-20(28-2)21(29-3)14-19(17)30-23(18)27/h4-6,8-9,12-14H,7,10-11,15H2,1-3H3,(H,24,26)
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n/an/a 86n/an/an/an/an/an/a



Universit£ degli Studi di Bari Aldo Moro

Curated by ChEMBL


Assay Description
Inhibition of bovine acetylcholinesterase using acetylcholine iodide as substrate incubated for 20 mins prior to substrate addition meausred after 3 ...


Bioorg Med Chem 21: 146-52 (2012)


Article DOI: 10.1016/j.bmc.2012.10.045
BindingDB Entry DOI: 10.7270/Q2QV3NTH
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM8961
PNG
(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)
Show SMILES Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)
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n/an/a 100n/an/an/an/an/an/a



Universit£ degli Studi di Bari Aldo Moro

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase (unknown origin)


Bioorg Med Chem 21: 146-52 (2012)


Article DOI: 10.1016/j.bmc.2012.10.045
BindingDB Entry DOI: 10.7270/Q2QV3NTH
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50424057
PNG
(CHEMBL2314430)
Show SMILES COc1cc2cc(C(=O)OCCCN(C)Cc3ccccc3)c(=O)oc2cc1OC
Show InChI InChI=1S/C23H25NO6/c1-24(15-16-8-5-4-6-9-16)10-7-11-29-22(25)18-12-17-13-20(27-2)21(28-3)14-19(17)30-23(18)26/h4-6,8-9,12-14H,7,10-11,15H2,1-3H3
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n/an/a 111n/an/an/an/an/an/a



Universit£ degli Studi di Bari Aldo Moro

Curated by ChEMBL


Assay Description
Inhibition of bovine acetylcholinesterase using acetylcholine iodide as substrate incubated for 20 mins prior to substrate addition meausred after 3 ...


Bioorg Med Chem 21: 146-52 (2012)


Article DOI: 10.1016/j.bmc.2012.10.045
BindingDB Entry DOI: 10.7270/Q2QV3NTH
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM10404
PNG
((1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetrac...)
Show SMILES COc1ccc2CN(C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:12|
Show InChI InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-/m0/s1
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n/an/a 300n/an/an/an/an/an/a



Universit£ degli Studi di Bari Aldo Moro

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase (unknown origin)


Bioorg Med Chem 21: 146-52 (2012)


Article DOI: 10.1016/j.bmc.2012.10.045
BindingDB Entry DOI: 10.7270/Q2QV3NTH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cholinesterases


(Homo sapiens (Human))
BDBM10620
PNG
((S)-3-(1-(dimethylamino)ethyl)phenyl ethyl(methyl)...)
Show SMILES [H][C@@](C)(N(C)C)c1cccc(OC(=O)N(C)CC)c1
Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
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n/an/a 300n/an/an/an/an/an/a



Universit£ degli Studi di Bari Aldo Moro

Curated by ChEMBL


Assay Description
Inhibition of butyrylcholinesterase (unknown origin)


Bioorg Med Chem 21: 146-52 (2012)


Article DOI: 10.1016/j.bmc.2012.10.045
BindingDB Entry DOI: 10.7270/Q2QV3NTH
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50424050
PNG
(CHEMBL2314725)
Show SMILES COc1cc2cc(NC(=O)CCCN(C)Cc3ccccc3)c(=O)oc2cc1OC
Show InChI InChI=1S/C23H26N2O5/c1-25(15-16-8-5-4-6-9-16)11-7-10-22(26)24-18-12-17-13-20(28-2)21(29-3)14-19(17)30-23(18)27/h4-6,8-9,12-14H,7,10-11,15H2,1-3H3,(H,24,26)
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n/an/a 330n/an/an/an/an/an/a



Universit£ degli Studi di Bari Aldo Moro

Curated by ChEMBL


Assay Description
Inhibition of bovine acetylcholinesterase using acetylcholine iodide as substrate incubated for 20 mins prior to substrate addition meausred after 3 ...


Bioorg Med Chem 21: 146-52 (2012)


Article DOI: 10.1016/j.bmc.2012.10.045
BindingDB Entry DOI: 10.7270/Q2QV3NTH
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM10620
PNG
((S)-3-(1-(dimethylamino)ethyl)phenyl ethyl(methyl)...)
Show SMILES [H][C@@](C)(N(C)C)c1cccc(OC(=O)N(C)CC)c1
Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
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n/an/a 700n/an/an/an/an/an/a



Universit£ degli Studi di Bari Aldo Moro

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase (unknown origin)


Bioorg Med Chem 21: 146-52 (2012)


Article DOI: 10.1016/j.bmc.2012.10.045
BindingDB Entry DOI: 10.7270/Q2QV3NTH
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50424047
PNG
(CHEMBL2311571)
Show SMILES COc1cc2cc(OC3CCN(Cc4ccccc4)CC3)c(=O)oc2cc1OC
Show InChI InChI=1S/C23H25NO5/c1-26-20-12-17-13-22(23(25)29-19(17)14-21(20)27-2)28-18-8-10-24(11-9-18)15-16-6-4-3-5-7-16/h3-7,12-14,18H,8-11,15H2,1-2H3
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Universit£ degli Studi di Bari Aldo Moro

Curated by ChEMBL


Assay Description
Inhibition of bovine acetylcholinesterase using acetylcholine iodide as substrate incubated for 20 mins prior to substrate addition meausred after 3 ...


Bioorg Med Chem 21: 146-52 (2012)


Article DOI: 10.1016/j.bmc.2012.10.045
BindingDB Entry DOI: 10.7270/Q2QV3NTH
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(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 1.90E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari Aldo Moro

Curated by ChEMBL


Assay Description
Inhibition of equine butyrylcholinesterase using butyrylthicholine as substrate incubated for 20 mins prior to substrate addition measured after 3 mi...


Bioorg Med Chem 21: 146-52 (2012)


Article DOI: 10.1016/j.bmc.2012.10.045
BindingDB Entry DOI: 10.7270/Q2QV3NTH
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
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 2.00E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari Aldo Moro

Curated by ChEMBL


Assay Description
Inhibition of butyrylcholinesterase (unknown origin)


Bioorg Med Chem 21: 146-52 (2012)


Article DOI: 10.1016/j.bmc.2012.10.045
BindingDB Entry DOI: 10.7270/Q2QV3NTH
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50424042
PNG
(CHEMBL2314731)
Show SMILES COc1cc2cc(OCC3CCN(Cc4ccccc4)CC3)c(=O)oc2cc1OC
Show InChI InChI=1S/C24H27NO5/c1-27-21-12-19-13-23(24(26)30-20(19)14-22(21)28-2)29-16-18-8-10-25(11-9-18)15-17-6-4-3-5-7-17/h3-7,12-14,18H,8-11,15-16H2,1-2H3
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n/an/a 3.90E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari Aldo Moro

Curated by ChEMBL


Assay Description
Inhibition of equine butyrylcholinesterase using butyrylthicholine as substrate incubated for 20 mins prior to substrate addition measured after 3 mi...


Bioorg Med Chem 21: 146-52 (2012)


Article DOI: 10.1016/j.bmc.2012.10.045
BindingDB Entry DOI: 10.7270/Q2QV3NTH
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50424044
PNG
(CHEMBL2314727)
Show SMILES CN(CCCOc1cc2ccccc2oc1=O)Cc1ccccc1
Show InChI InChI=1S/C20H21NO3/c1-21(15-16-8-3-2-4-9-16)12-7-13-23-19-14-17-10-5-6-11-18(17)24-20(19)22/h2-6,8-11,14H,7,12-13,15H2,1H3
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n/an/a 4.00E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari Aldo Moro

Curated by ChEMBL


Assay Description
Inhibition of equine butyrylcholinesterase using butyrylthicholine as substrate incubated for 20 mins prior to substrate addition measured after 3 mi...


Bioorg Med Chem 21: 146-52 (2012)


Article DOI: 10.1016/j.bmc.2012.10.045
BindingDB Entry DOI: 10.7270/Q2QV3NTH
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50424056
PNG
(CHEMBL2314431)
Show SMILES COc1cc2cc(C(=O)N3CCN(Cc4ccccc4)CC3)c(=O)oc2cc1OC
Show InChI InChI=1S/C23H24N2O5/c1-28-20-13-17-12-18(23(27)30-19(17)14-21(20)29-2)22(26)25-10-8-24(9-11-25)15-16-6-4-3-5-7-16/h3-7,12-14H,8-11,15H2,1-2H3
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n/an/a 4.00E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari Aldo Moro

Curated by ChEMBL


Assay Description
Inhibition of bovine acetylcholinesterase using acetylcholine iodide as substrate incubated for 20 mins prior to substrate addition meausred after 3 ...


Bioorg Med Chem 21: 146-52 (2012)


Article DOI: 10.1016/j.bmc.2012.10.045
BindingDB Entry DOI: 10.7270/Q2QV3NTH
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50424043
PNG
(CHEMBL2314728)
Show SMILES O=c1oc2ccccc2cc1OC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C21H21NO3/c23-21-20(14-17-8-4-5-9-19(17)25-21)24-18-10-12-22(13-11-18)15-16-6-2-1-3-7-16/h1-9,14,18H,10-13,15H2
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n/an/a 4.50E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari Aldo Moro

Curated by ChEMBL


Assay Description
Inhibition of bovine acetylcholinesterase using acetylcholine iodide as substrate incubated for 20 mins prior to substrate addition meausred after 3 ...


Bioorg Med Chem 21: 146-52 (2012)


Article DOI: 10.1016/j.bmc.2012.10.045
BindingDB Entry DOI: 10.7270/Q2QV3NTH
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50424044
PNG
(CHEMBL2314727)
Show SMILES CN(CCCOc1cc2ccccc2oc1=O)Cc1ccccc1
Show InChI InChI=1S/C20H21NO3/c1-21(15-16-8-3-2-4-9-16)12-7-13-23-19-14-17-10-5-6-11-18(17)24-20(19)22/h2-6,8-11,14H,7,12-13,15H2,1H3
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Universit£ degli Studi di Bari Aldo Moro

Curated by ChEMBL


Assay Description
Inhibition of bovine acetylcholinesterase using acetylcholine iodide as substrate incubated for 20 mins prior to substrate addition meausred after 3 ...


Bioorg Med Chem 21: 146-52 (2012)


Article DOI: 10.1016/j.bmc.2012.10.045
BindingDB Entry DOI: 10.7270/Q2QV3NTH
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50424046
PNG
(CHEMBL2314721)
Show SMILES COc1cc2cc(C(=O)OCC3CCN(Cc4ccccc4)CC3)c(=O)oc2cc1OC
Show InChI InChI=1S/C25H27NO6/c1-29-22-13-19-12-20(25(28)32-21(19)14-23(22)30-2)24(27)31-16-18-8-10-26(11-9-18)15-17-6-4-3-5-7-17/h3-7,12-14,18H,8-11,15-16H2,1-2H3
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n/an/a 4.70E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari Aldo Moro

Curated by ChEMBL


Assay Description
Inhibition of equine butyrylcholinesterase using butyrylthicholine as substrate incubated for 20 mins prior to substrate addition measured after 3 mi...


Bioorg Med Chem 21: 146-52 (2012)


Article DOI: 10.1016/j.bmc.2012.10.045
BindingDB Entry DOI: 10.7270/Q2QV3NTH
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM10404
PNG
((1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetrac...)
Show SMILES COc1ccc2CN(C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:12|
Show InChI InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-/m0/s1
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n/an/a 7.00E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari Aldo Moro

Curated by ChEMBL


Assay Description
Inhibition of butyrylcholinesterase (unknown origin)


Bioorg Med Chem 21: 146-52 (2012)


Article DOI: 10.1016/j.bmc.2012.10.045
BindingDB Entry DOI: 10.7270/Q2QV3NTH
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50424049
PNG
(CHEMBL2314729)
Show SMILES COc1ccc2oc(=O)c(OC3CCN(Cc4ccccc4)CC3)cc2c1
Show InChI InChI=1S/C22H23NO4/c1-25-19-7-8-20-17(13-19)14-21(22(24)27-20)26-18-9-11-23(12-10-18)15-16-5-3-2-4-6-16/h2-8,13-14,18H,9-12,15H2,1H3
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n/an/a 7.40E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari Aldo Moro

Curated by ChEMBL


Assay Description
Inhibition of bovine acetylcholinesterase using acetylcholine iodide as substrate incubated for 20 mins prior to substrate addition meausred after 3 ...


Bioorg Med Chem 21: 146-52 (2012)


Article DOI: 10.1016/j.bmc.2012.10.045
BindingDB Entry DOI: 10.7270/Q2QV3NTH
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50424043
PNG
(CHEMBL2314728)
Show SMILES O=c1oc2ccccc2cc1OC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C21H21NO3/c23-21-20(14-17-8-4-5-9-19(17)25-21)24-18-10-12-22(13-11-18)15-16-6-2-1-3-7-16/h1-9,14,18H,10-13,15H2
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n/an/a 7.90E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari Aldo Moro

Curated by ChEMBL


Assay Description
Inhibition of equine butyrylcholinesterase using butyrylthicholine as substrate incubated for 20 mins prior to substrate addition measured after 3 mi...


Bioorg Med Chem 21: 146-52 (2012)


Article DOI: 10.1016/j.bmc.2012.10.045
BindingDB Entry DOI: 10.7270/Q2QV3NTH
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50424060
PNG
(CHEMBL2314427)
Show SMILES COc1cc2cc(C(=O)NCCN(C)Cc3ccccc3)c(=O)oc2cc1OC
Show InChI InChI=1S/C22H24N2O5/c1-24(14-15-7-5-4-6-8-15)10-9-23-21(25)17-11-16-12-19(27-2)20(28-3)13-18(16)29-22(17)26/h4-8,11-13H,9-10,14H2,1-3H3,(H,23,25)
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n/an/a 9.00E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari Aldo Moro

Curated by ChEMBL


Assay Description
Inhibition of bovine acetylcholinesterase using acetylcholine iodide as substrate incubated for 20 mins prior to substrate addition meausred after 3 ...


Bioorg Med Chem 21: 146-52 (2012)


Article DOI: 10.1016/j.bmc.2012.10.045
BindingDB Entry DOI: 10.7270/Q2QV3NTH
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50424048
PNG
(CHEMBL2314730)
Show SMILES COc1ccc2cc(OC3CCN(Cc4ccccc4)CC3)c(=O)oc2c1
Show InChI InChI=1S/C22H23NO4/c1-25-19-8-7-17-13-21(22(24)27-20(17)14-19)26-18-9-11-23(12-10-18)15-16-5-3-2-4-6-16/h2-8,13-14,18H,9-12,15H2,1H3
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n/an/a 1.20E+4n/an/an/an/an/an/a



Universit£ degli Studi di Bari Aldo Moro

Curated by ChEMBL


Assay Description
Inhibition of bovine acetylcholinesterase using acetylcholine iodide as substrate incubated for 20 mins prior to substrate addition meausred after 3 ...


Bioorg Med Chem 21: 146-52 (2012)


Article DOI: 10.1016/j.bmc.2012.10.045
BindingDB Entry DOI: 10.7270/Q2QV3NTH
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50424051
PNG
(CHEMBL2314724)
Show SMILES COc1cc2cc(NC(=O)CCN(C)Cc3ccccc3)c(=O)oc2cc1OC
Show InChI InChI=1S/C22H24N2O5/c1-24(14-15-7-5-4-6-8-15)10-9-21(25)23-17-11-16-12-19(27-2)20(28-3)13-18(16)29-22(17)26/h4-8,11-13H,9-10,14H2,1-3H3,(H,23,25)
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n/an/a 1.40E+4n/an/an/an/an/an/a



Universit£ degli Studi di Bari Aldo Moro

Curated by ChEMBL


Assay Description
Inhibition of bovine acetylcholinesterase using acetylcholine iodide as substrate incubated for 20 mins prior to substrate addition meausred after 3 ...


Bioorg Med Chem 21: 146-52 (2012)


Article DOI: 10.1016/j.bmc.2012.10.045
BindingDB Entry DOI: 10.7270/Q2QV3NTH
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50424053
PNG
(CHEMBL2314722)
Show SMILES COc1cc2cc(NC(=O)CN(C)Cc3ccccc3)c(=O)oc2cc1OC
Show InChI InChI=1S/C21H22N2O5/c1-23(12-14-7-5-4-6-8-14)13-20(24)22-16-9-15-10-18(26-2)19(27-3)11-17(15)28-21(16)25/h4-11H,12-13H2,1-3H3,(H,22,24)
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n/an/a 2.60E+4n/an/an/an/an/an/a



Universit£ degli Studi di Bari Aldo Moro

Curated by ChEMBL


Assay Description
Inhibition of bovine acetylcholinesterase using acetylcholine iodide as substrate incubated for 20 mins prior to substrate addition meausred after 3 ...


Bioorg Med Chem 21: 146-52 (2012)


Article DOI: 10.1016/j.bmc.2012.10.045
BindingDB Entry DOI: 10.7270/Q2QV3NTH
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50424045
PNG
(CHEMBL2314726)
Show SMILES COc1cc2cc(NC(=O)[C@H]3CCC[C@H](C3)NCc3ccccc3)c(=O)oc2cc1OC |r|
Show InChI InChI=1S/C25H28N2O5/c1-30-22-13-18-12-20(25(29)32-21(18)14-23(22)31-2)27-24(28)17-9-6-10-19(11-17)26-15-16-7-4-3-5-8-16/h3-5,7-8,12-14,17,19,26H,6,9-11,15H2,1-2H3,(H,27,28)/t17-,19+/m0/s1
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n/an/a 3.30E+4n/an/an/an/an/an/a



Universit£ degli Studi di Bari Aldo Moro

Curated by ChEMBL


Assay Description
Inhibition of equine butyrylcholinesterase using butyrylthicholine as substrate incubated for 20 mins prior to substrate addition measured after 3 mi...


Bioorg Med Chem 21: 146-52 (2012)


Article DOI: 10.1016/j.bmc.2012.10.045
BindingDB Entry DOI: 10.7270/Q2QV3NTH
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50424052
PNG
(CHEMBL2314723)
Show SMILES CN(CCC(=O)Nc1cc2ccccc2oc1=O)Cc1ccccc1
Show InChI InChI=1S/C20H20N2O3/c1-22(14-15-7-3-2-4-8-15)12-11-19(23)21-17-13-16-9-5-6-10-18(16)25-20(17)24/h2-10,13H,11-12,14H2,1H3,(H,21,23)
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n/an/a 6.60E+4n/an/an/an/an/an/a



Universit£ degli Studi di Bari Aldo Moro

Curated by ChEMBL


Assay Description
Inhibition of bovine acetylcholinesterase using acetylcholine iodide as substrate incubated for 20 mins prior to substrate addition meausred after 3 ...


Bioorg Med Chem 21: 146-52 (2012)


Article DOI: 10.1016/j.bmc.2012.10.045
BindingDB Entry DOI: 10.7270/Q2QV3NTH
More data for this
Ligand-Target Pair