BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 4222 hits of ic50 for UniProtKB: P81908   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50393864
PNG
(CHEMBL2158116)
Show SMILES CCN(CCCNc1c2CCCCc2nc2ccccc12)CC(=O)Nc1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C29H33N5OS/c1-2-34(19-27(35)33-29-32-26(20-36-29)21-11-4-3-5-12-21)18-10-17-30-28-22-13-6-8-15-24(22)31-25-16-9-7-14-23(25)28/h3-6,8,11-13,15,20H,2,7,9-10,14,16-19H2,1H3,(H,30,31)(H,32,33,35)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.0447n/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butylthiocholine chloride substrate incubated for 5 mins before substrate addition measured at 3 min interval ...


Bioorg Med Chem 20: 6513-22 (2012)


Article DOI: 10.1016/j.bmc.2012.08.040
BindingDB Entry DOI: 10.7270/Q20Z74DZ
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
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)
PDB

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEBI
CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 0.0500n/an/an/an/an/an/a



University of Sfax

Curated by ChEMBL


Assay Description
Inhibition of horse serum BuChE using butyrylthiocholine as substrate pretreated for 10 mins followed by substrate addition measured after 15 mins by...


Eur J Med Chem 126: 576-589 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.050
BindingDB Entry DOI: 10.7270/Q21R6SR5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50380541
PNG
(CHEMBL2019032)
Show SMILES Clc1ccc2c(NCCCCCCCCCCNC(=O)c3cc(=O)c4ccccc4o3)c3CCCCc3nc2c1
Show InChI InChI=1S/C33H38ClN3O3/c34-23-17-18-25-28(21-23)37-27-15-9-7-13-24(27)32(25)35-19-11-5-3-1-2-4-6-12-20-36-33(39)31-22-29(38)26-14-8-10-16-30(26)40-31/h8,10,14,16-18,21-22H,1-7,9,11-13,15,19-20H2,(H,35,37)(H,36,39)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.180n/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Inhibition of horse serum BChE by Ellman's method


J Med Chem 55: 1303-17 (2012)


Article DOI: 10.1021/jm201460y
BindingDB Entry DOI: 10.7270/Q2M32WS2
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50380559
PNG
(CHEMBL2019048)
Show SMILES COc1cc(O)c2c(c1)oc(cc2=O)C(=O)NCCCCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12
Show InChI InChI=1S/C34H40ClN3O5/c1-42-23-19-28(39)32-29(40)21-31(43-30(32)20-23)34(41)37-17-11-7-5-3-2-4-6-10-16-36-33-24-12-8-9-13-26(24)38-27-18-22(35)14-15-25(27)33/h14-15,18-21,39H,2-13,16-17H2,1H3,(H,36,38)(H,37,41)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.180n/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Inhibition of horse serum BChE by Ellman's method


J Med Chem 55: 1303-17 (2012)


Article DOI: 10.1021/jm201460y
BindingDB Entry DOI: 10.7270/Q2M32WS2
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50380537
PNG
(CHEMBL2019030)
Show SMILES O=C(NCCCCCCCCCCNc1c2CCCCc2nc2ccccc12)c1cc(=O)c2ccccc2o1
Show InChI InChI=1S/C33H39N3O3/c37-29-23-31(39-30-20-12-9-17-26(29)30)33(38)35-22-14-6-4-2-1-3-5-13-21-34-32-24-15-7-10-18-27(24)36-28-19-11-8-16-25(28)32/h7,9-10,12,15,17-18,20,23H,1-6,8,11,13-14,16,19,21-22H2,(H,34,36)(H,35,38)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.180n/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Inhibition of horse serum BChE by Ellman's method


J Med Chem 55: 1303-17 (2012)


Article DOI: 10.1021/jm201460y
BindingDB Entry DOI: 10.7270/Q2M32WS2
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50380536
PNG
(CHEMBL2019031)
Show SMILES O=C(NCCCCCCCCCCCCNc1c2CCCCc2nc2ccccc12)c1cc(=O)c2ccccc2o1
Show InChI InChI=1S/C35H43N3O3/c39-31-25-33(41-32-22-14-11-19-28(31)32)35(40)37-24-16-8-6-4-2-1-3-5-7-15-23-36-34-26-17-9-12-20-29(26)38-30-21-13-10-18-27(30)34/h9,11-12,14,17,19-20,22,25H,1-8,10,13,15-16,18,21,23-24H2,(H,36,38)(H,37,40)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.25n/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Inhibition of horse serum BChE by Ellman's method


J Med Chem 55: 1303-17 (2012)


Article DOI: 10.1021/jm201460y
BindingDB Entry DOI: 10.7270/Q2M32WS2
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50380553
PNG
(CHEMBL2019034)
Show SMILES COc1ccc2oc(cc(=O)c2c1)C(=O)NCCCCCCCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C34H41N3O4/c1-40-24-18-19-31-27(22-24)30(38)23-32(41-31)34(39)36-21-13-7-5-3-2-4-6-12-20-35-33-25-14-8-10-16-28(25)37-29-17-11-9-15-26(29)33/h8,10,14,16,18-19,22-23H,2-7,9,11-13,15,17,20-21H2,1H3,(H,35,37)(H,36,39)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.320n/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Inhibition of horse serum BChE by Ellman's method


J Med Chem 55: 1303-17 (2012)


Article DOI: 10.1021/jm201460y
BindingDB Entry DOI: 10.7270/Q2M32WS2
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50380542
PNG
(CHEMBL2019037)
Show SMILES COc1cc(OC)c2c(c1)oc(cc2=O)C(=O)NCCCCCCCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C35H43N3O5/c1-41-24-21-30(42-2)33-29(39)23-32(43-31(33)22-24)35(40)37-20-14-8-6-4-3-5-7-13-19-36-34-25-15-9-11-17-27(25)38-28-18-12-10-16-26(28)34/h9,11,15,17,21-23H,3-8,10,12-14,16,18-20H2,1-2H3,(H,36,38)(H,37,40)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.330n/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Inhibition of horse serum BChE by Ellman's method


J Med Chem 55: 1303-17 (2012)


Article DOI: 10.1021/jm201460y
BindingDB Entry DOI: 10.7270/Q2M32WS2
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50380546
PNG
(CHEMBL2019047)
Show SMILES Oc1cc(O)c2c(c1)oc(cc2=O)C(=O)NCCCCCCCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C33H39N3O5/c37-22-19-27(38)31-28(39)21-30(41-29(31)20-22)33(40)35-18-12-6-4-2-1-3-5-11-17-34-32-23-13-7-9-15-25(23)36-26-16-10-8-14-24(26)32/h7,9,13,15,19-21,37-38H,1-6,8,10-12,14,16-18H2,(H,34,36)(H,35,40)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.350n/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Inhibition of horse serum BChE by Ellman's method


J Med Chem 55: 1303-17 (2012)


Article DOI: 10.1021/jm201460y
BindingDB Entry DOI: 10.7270/Q2M32WS2
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50393868
PNG
(CHEMBL2158112)
Show SMILES O=C(CCC(=O)Nc1nc(cs1)-c1ccccc1)NCCCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C32H37N5O2S/c38-29(18-19-30(39)37-32-36-28(22-40-32)23-12-4-3-5-13-23)33-20-10-1-2-11-21-34-31-24-14-6-8-16-26(24)35-27-17-9-7-15-25(27)31/h3-6,8,12-14,16,22H,1-2,7,9-11,15,17-21H2,(H,33,38)(H,34,35)(H,36,37,39)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.355n/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butylthiocholine chloride substrate incubated for 5 mins before substrate addition measured at 3 min interval ...


Bioorg Med Chem 20: 6513-22 (2012)


Article DOI: 10.1016/j.bmc.2012.08.040
BindingDB Entry DOI: 10.7270/Q20Z74DZ
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50380552
PNG
(CHEMBL2019035)
Show SMILES COc1ccc2oc(cc(=O)c2c1)C(=O)NCCCCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12
Show InChI InChI=1S/C34H40ClN3O4/c1-41-24-15-17-31-27(21-24)30(39)22-32(42-31)34(40)37-19-11-7-5-3-2-4-6-10-18-36-33-25-12-8-9-13-28(25)38-29-20-23(35)14-16-26(29)33/h14-17,20-22H,2-13,18-19H2,1H3,(H,36,38)(H,37,40)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.430n/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Inhibition of horse serum BChE by Ellman's method


J Med Chem 55: 1303-17 (2012)


Article DOI: 10.1021/jm201460y
BindingDB Entry DOI: 10.7270/Q2M32WS2
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50393858
PNG
(CHEMBL2158122)
Show SMILES CCN(CCCNc1c2CCCCc2nc2ccccc12)CCC(=O)Nc1nc(cs1)-c1ccc(OC)cc1
Show InChI InChI=1S/C31H37N5O2S/c1-3-36(20-17-29(37)35-31-34-28(21-39-31)22-13-15-23(38-2)16-14-22)19-8-18-32-30-24-9-4-6-11-26(24)33-27-12-7-5-10-25(27)30/h4,6,9,11,13-16,21H,3,5,7-8,10,12,17-20H2,1-2H3,(H,32,33)(H,34,35,37)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.479n/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butylthiocholine chloride substrate incubated for 5 mins before substrate addition measured at 3 min interval ...


Bioorg Med Chem 20: 6513-22 (2012)


Article DOI: 10.1016/j.bmc.2012.08.040
BindingDB Entry DOI: 10.7270/Q20Z74DZ
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50456821
PNG
(CHEMBL4208961)
Show SMILES [Br-].Cc1cc(=O)oc2cc(OCc3cc[n+](Cc4ccccc4Br)cc3)ccc12
Show InChI InChI=1S/C23H19BrNO3/c1-16-12-23(26)28-22-13-19(6-7-20(16)22)27-15-17-8-10-25(11-9-17)14-18-4-2-3-5-21(18)24/h2-13H,14-15H2,1H3/q+1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.480n/an/an/an/an/an/a



Shanghai University of Traditional Chinese Medicine

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using S-butyrylthiocholine iodide as substrate preincubated for 6 mins followed by substrate addition measured up to...


Eur J Med Chem 139: 48-59 (2017)


Article DOI: 10.1016/j.ejmech.2017.07.055
BindingDB Entry DOI: 10.7270/Q2GM89X1
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50114361
PNG
(CHEMBL3604192)
Show SMILES Cl.CN(C)c1ccc(cc1)C(=O)NCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C24H28N4O.ClH/c1-28(2)18-13-11-17(12-14-18)24(29)26-16-15-25-23-19-7-3-5-9-21(19)27-22-10-6-4-8-20(22)23;/h3,5,7,9,11-14H,4,6,8,10,15-16H2,1-2H3,(H,25,27)(H,26,29);1H
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.5n/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using ATC iodide substrate by Ellman's assay


Bioorg Med Chem 23: 5610-8 (2015)


Article DOI: 10.1016/j.bmc.2015.07.029
BindingDB Entry DOI: 10.7270/Q25T3N9G
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50380539
PNG
(CHEMBL2019028)
Show SMILES O=C(NCCCCCCCCNc1c2CCCCc2nc2ccccc12)c1cc(=O)c2ccccc2o1
Show InChI InChI=1S/C31H35N3O3/c35-27-21-29(37-28-18-10-7-15-24(27)28)31(36)33-20-12-4-2-1-3-11-19-32-30-22-13-5-8-16-25(22)34-26-17-9-6-14-23(26)30/h5,7-8,10,13,15-16,18,21H,1-4,6,9,11-12,14,17,19-20H2,(H,32,34)(H,33,36)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.5n/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Inhibition of horse serum BChE by Ellman's method


J Med Chem 55: 1303-17 (2012)


Article DOI: 10.1021/jm201460y
BindingDB Entry DOI: 10.7270/Q2M32WS2
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50317179
PNG
(2-Methyl-9-[9-(2-methyl-beta-carboline-9-yl)nonyl]...)
Show SMILES C[n+]1ccc2c(c1)n(CCCCCCCCCn1c3ccccc3c3cc[n+](C)cc13)c1ccccc21
Show InChI InChI=1S/C33H38N4/c1-34-22-18-28-26-14-8-10-16-30(26)36(32(28)24-34)20-12-6-4-3-5-7-13-21-37-31-17-11-9-15-27(31)29-19-23-35(2)25-33(29)37/h8-11,14-19,22-25H,3-7,12-13,20-21H2,1-2H3/q+2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.507n/an/an/an/an/an/a



Friedrich-Schiller-Universitat Jena

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE by modified Ellman's method


J Med Chem 53: 3611-7 (2010)


Article DOI: 10.1021/jm1000024
BindingDB Entry DOI: 10.7270/Q2SJ1KS0
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50393867
PNG
(CHEMBL2158113)
Show SMILES O=C(CCCC(=O)Nc1nc(cs1)-c1ccccc1)NCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C31H35N5O2S/c37-28(17-10-18-29(38)36-31-35-27(21-39-31)22-11-2-1-3-12-22)32-19-8-9-20-33-30-23-13-4-6-15-25(23)34-26-16-7-5-14-24(26)30/h1-4,6,11-13,15,21H,5,7-10,14,16-20H2,(H,32,37)(H,33,34)(H,35,36,38)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.550n/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butylthiocholine chloride substrate incubated for 5 mins before substrate addition measured at 3 min interval ...


Bioorg Med Chem 20: 6513-22 (2012)


Article DOI: 10.1016/j.bmc.2012.08.040
BindingDB Entry DOI: 10.7270/Q20Z74DZ
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50380543
PNG
(CHEMBL2019040)
Show SMILES COc1cc2oc(cc(=O)c2cc1OC)C(=O)NCCCCCCCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C35H43N3O5/c1-41-31-21-26-29(39)22-33(43-30(26)23-32(31)42-2)35(40)37-20-14-8-6-4-3-5-7-13-19-36-34-24-15-9-11-17-27(24)38-28-18-12-10-16-25(28)34/h9,11,15,17,21-23H,3-8,10,12-14,16,18-20H2,1-2H3,(H,36,38)(H,37,40)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.550n/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Inhibition of horse serum BChE by Ellman's method


J Med Chem 55: 1303-17 (2012)


Article DOI: 10.1021/jm201460y
BindingDB Entry DOI: 10.7270/Q2M32WS2
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50380538
PNG
(CHEMBL2019029)
Show SMILES O=C(NCCCCCCCCCNc1c2CCCCc2nc2ccccc12)c1cc(=O)c2ccccc2o1
Show InChI InChI=1S/C32H37N3O3/c36-28-22-30(38-29-19-11-8-16-25(28)29)32(37)34-21-13-5-3-1-2-4-12-20-33-31-23-14-6-9-17-26(23)35-27-18-10-7-15-24(27)31/h6,8-9,11,14,16-17,19,22H,1-5,7,10,12-13,15,18,20-21H2,(H,33,35)(H,34,37)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.580n/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Inhibition of horse serum BChE by Ellman's method


J Med Chem 55: 1303-17 (2012)


Article DOI: 10.1021/jm201460y
BindingDB Entry DOI: 10.7270/Q2M32WS2
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50433319
PNG
(CHEMBL2376477)
Show SMILES CC(C(=O)NCCCCCCNc1c2CCCCc2nc2ccccc12)c1ccc(c(F)c1)-c1ccc(OCCCCCCO[N+]([O-])=O)cc1
Show InChI InChI=1S/C40H49FN4O5/c1-29(31-20-23-33(36(41)28-31)30-18-21-32(22-19-30)49-26-12-4-5-13-27-50-45(47)48)40(46)43-25-11-3-2-10-24-42-39-34-14-6-8-16-37(34)44-38-17-9-7-15-35(38)39/h6,8,14,16,18-23,28-29H,2-5,7,9-13,15,17,24-27H2,1H3,(H,42,44)(H,43,46)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.600n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using acetylcholine as substrate preincubated for 5 mins prior to substrate addition measured after 2 mins by Ellman'...


Bioorg Med Chem 21: 2462-70 (2013)


Article DOI: 10.1016/j.bmc.2013.03.005
BindingDB Entry DOI: 10.7270/Q2319X82
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50393870
PNG
(CHEMBL2158110)
Show SMILES O=C(CCC(=O)Nc1nc(cs1)-c1ccccc1)NCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C30H33N5O2S/c36-27(16-17-28(37)35-30-34-26(20-38-30)21-10-2-1-3-11-21)31-18-8-9-19-32-29-22-12-4-6-14-24(22)33-25-15-7-5-13-23(25)29/h1-4,6,10-12,14,20H,5,7-9,13,15-19H2,(H,31,36)(H,32,33)(H,34,35,37)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.603n/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butylthiocholine chloride substrate incubated for 5 mins before substrate addition measured at 3 min interval ...


Bioorg Med Chem 20: 6513-22 (2012)


Article DOI: 10.1016/j.bmc.2012.08.040
BindingDB Entry DOI: 10.7270/Q20Z74DZ
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50114368
PNG
(CHEMBL3604199)
Show SMILES Cl.CN(C)c1ccc(cc1)C(=O)NCCCCCCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C31H42N4O.ClH/c1-35(2)25-20-18-24(19-21-25)31(36)33-23-13-7-5-3-4-6-12-22-32-30-26-14-8-10-16-28(26)34-29-17-11-9-15-27(29)30;/h8,10,14,16,18-21H,3-7,9,11-13,15,17,22-23H2,1-2H3,(H,32,34)(H,33,36);1H
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.700n/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using ATC iodide substrate by Ellman's assay


Bioorg Med Chem 23: 5610-8 (2015)


Article DOI: 10.1016/j.bmc.2015.07.029
BindingDB Entry DOI: 10.7270/Q25T3N9G
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50114367
PNG
(CHEMBL3604198)
Show SMILES Cl.CN(C)c1ccc(cc1)C(=O)NCCCCCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C30H40N4O.ClH/c1-34(2)24-19-17-23(18-20-24)30(35)32-22-12-6-4-3-5-11-21-31-29-25-13-7-9-15-27(25)33-28-16-10-8-14-26(28)29;/h7,9,13,15,17-20H,3-6,8,10-12,14,16,21-22H2,1-2H3,(H,31,33)(H,32,35);1H
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.700n/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using ATC iodide substrate by Ellman's assay


Bioorg Med Chem 23: 5610-8 (2015)


Article DOI: 10.1016/j.bmc.2015.07.029
BindingDB Entry DOI: 10.7270/Q25T3N9G
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50380562
PNG
(CHEMBL2019039)
Show SMILES COc1cc(OC)c2c(c1)oc(cc2=O)C(=O)NCCCCCCCCCCNc1c2CCCCc2nc2cc(Cl)cc(Cl)c12
Show InChI InChI=1S/C35H41Cl2N3O5/c1-43-23-19-29(44-2)33-28(41)21-31(45-30(33)20-23)35(42)39-16-12-8-6-4-3-5-7-11-15-38-34-24-13-9-10-14-26(24)40-27-18-22(36)17-25(37)32(27)34/h17-21H,3-16H2,1-2H3,(H,38,40)(H,39,42)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.75n/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Inhibition of horse serum BChE by Ellman's method


J Med Chem 55: 1303-17 (2012)


Article DOI: 10.1021/jm201460y
BindingDB Entry DOI: 10.7270/Q2M32WS2
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50380550
PNG
(CHEMBL2019041)
Show SMILES COc1cc2oc(cc(=O)c2cc1OC)C(=O)NCCCCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12
Show InChI InChI=1S/C35H42ClN3O5/c1-42-31-20-26-29(40)21-33(44-30(26)22-32(31)43-2)35(41)38-18-12-8-6-4-3-5-7-11-17-37-34-24-13-9-10-14-27(24)39-28-19-23(36)15-16-25(28)34/h15-16,19-22H,3-14,17-18H2,1-2H3,(H,37,39)(H,38,41)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.850n/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Inhibition of horse serum BChE by Ellman's method


J Med Chem 55: 1303-17 (2012)


Article DOI: 10.1021/jm201460y
BindingDB Entry DOI: 10.7270/Q2M32WS2
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50380551
PNG
(CHEMBL2019038)
Show SMILES COc1cc(OC)c2c(c1)oc(cc2=O)C(=O)NCCCCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12
Show InChI InChI=1S/C35H42ClN3O5/c1-42-24-20-30(43-2)33-29(40)22-32(44-31(33)21-24)35(41)38-18-12-8-6-4-3-5-7-11-17-37-34-25-13-9-10-14-27(25)39-28-19-23(36)15-16-26(28)34/h15-16,19-22H,3-14,17-18H2,1-2H3,(H,37,39)(H,38,41)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Inhibition of horse serum BChE by Ellman's method


J Med Chem 55: 1303-17 (2012)


Article DOI: 10.1021/jm201460y
BindingDB Entry DOI: 10.7270/Q2M32WS2
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50275230
PNG
(CHEMBL4126049)
Show SMILES COc1ccc(cc1)C1CC(=Nc2ccccc2S1)c1cc2cc(Br)ccc2o1
Show InChI InChI=1S/C24H18BrNO2S/c1-27-18-9-6-15(7-10-18)24-14-20(26-19-4-2-3-5-23(19)29-24)22-13-16-12-17(25)8-11-21(16)28-22/h2-13,24H,14H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Alzahra University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate pretreated for 15 mins followed by substrate addition measured for 6 min...


Bioorg Med Chem 26: 3076-3095 (2018)


Article DOI: 10.1016/j.bmc.2018.02.049
BindingDB Entry DOI: 10.7270/Q2SF2ZPJ
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50396122
PNG
(CHEMBL2171326)
Show SMILES COc1cc(\C=C\C(=O)NCCCCCCCCNc2c3CCCCc3nc3ccccc23)ccc1OCCCO[N+]([O-])=O
Show InChI InChI=1S/C34H44N4O6/c1-42-32-25-26(17-19-31(32)43-23-12-24-44-38(40)41)18-20-33(39)35-21-10-4-2-3-5-11-22-36-34-27-13-6-8-15-29(27)37-30-16-9-7-14-28(30)34/h6,8,13,15,17-20,25H,2-5,7,9-12,14,16,21-24H2,1H3,(H,35,39)(H,36,37)/b20-18+
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate after 5 mins by Ellman's method


J Med Chem 55: 4309-21 (2012)


Article DOI: 10.1021/jm300106z
BindingDB Entry DOI: 10.7270/Q21837N7
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50275270
PNG
(CHEMBL4126207)
Show SMILES COc1cccc(c1)C1CC(=Nc2ccccc2S1)c1cc2cc(Br)ccc2o1
Show InChI InChI=1S/C24H18BrNO2S/c1-27-18-6-4-5-15(12-18)24-14-20(26-19-7-2-3-8-23(19)29-24)22-13-16-11-17(25)9-10-21(16)28-22/h2-13,24H,14H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Alzahra University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate pretreated for 15 mins followed by substrate addition measured for 6 min...


Bioorg Med Chem 26: 3076-3095 (2018)


Article DOI: 10.1016/j.bmc.2018.02.049
BindingDB Entry DOI: 10.7270/Q2SF2ZPJ
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50433318
PNG
(CHEMBL2376478)
Show SMILES CC(C(=O)NCCCCCCCCNc1c2CCCCc2nc2ccccc12)c1ccc(c(F)c1)-c1ccc(OCCO[N+]([O-])=O)cc1
Show InChI InChI=1S/C38H45FN4O5/c1-27(29-18-21-31(34(39)26-29)28-16-19-30(20-17-28)47-24-25-48-43(45)46)38(44)41-23-11-5-3-2-4-10-22-40-37-32-12-6-8-14-35(32)42-36-15-9-7-13-33(36)37/h6,8,12,14,16-21,26-27H,2-5,7,9-11,13,15,22-25H2,1H3,(H,40,42)(H,41,44)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using acetylcholine as substrate preincubated for 5 mins prior to substrate addition measured after 2 mins by Ellman'...


Bioorg Med Chem 21: 2462-70 (2013)


Article DOI: 10.1016/j.bmc.2013.03.005
BindingDB Entry DOI: 10.7270/Q2319X82
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50380544
PNG
(CHEMBL2019043)
Show SMILES Oc1ccc2oc(cc(=O)c2c1)C(=O)NCCCCCCCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C33H39N3O4/c37-23-17-18-30-26(21-23)29(38)22-31(40-30)33(39)35-20-12-6-4-2-1-3-5-11-19-34-32-24-13-7-9-15-27(24)36-28-16-10-8-14-25(28)32/h7,9,13,15,17-18,21-22,37H,1-6,8,10-12,14,16,19-20H2,(H,34,36)(H,35,39)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Inhibition of horse serum BChE by Ellman's method


J Med Chem 55: 1303-17 (2012)


Article DOI: 10.1021/jm201460y
BindingDB Entry DOI: 10.7270/Q2M32WS2
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50114365
PNG
(CHEMBL3604196)
Show SMILES Cl.CN(C)c1ccc(cc1)C(=O)NCCCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C28H36N4O.ClH/c1-32(2)22-17-15-21(16-18-22)28(33)30-20-10-4-3-9-19-29-27-23-11-5-7-13-25(23)31-26-14-8-6-12-24(26)27;/h5,7,11,13,15-18H,3-4,6,8-10,12,14,19-20H2,1-2H3,(H,29,31)(H,30,33);1H
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.10n/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using ATC iodide substrate by Ellman's assay


Bioorg Med Chem 23: 5610-8 (2015)


Article DOI: 10.1016/j.bmc.2015.07.029
BindingDB Entry DOI: 10.7270/Q25T3N9G
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
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)
PDB

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEBI
CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 1.20n/an/an/an/an/an/a



Istituto di Chimica Biomolecolare (ICB)

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate incubated for 15 mins followed by substrate addition by Ellman's method


Eur J Med Chem 122: 326-338 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.036
BindingDB Entry DOI: 10.7270/Q2QJ7K8X
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50433316
PNG
(CHEMBL2376480)
Show SMILES CC(C(=O)NCCCCCCCCNc1c2CCCCc2nc2ccccc12)c1ccc(c(F)c1)-c1ccc(OCCCCO[N+]([O-])=O)cc1
Show InChI InChI=1S/C40H49FN4O5/c1-29(31-20-23-33(36(41)28-31)30-18-21-32(22-19-30)49-26-12-13-27-50-45(47)48)40(46)43-25-11-5-3-2-4-10-24-42-39-34-14-6-8-16-37(34)44-38-17-9-7-15-35(38)39/h6,8,14,16,18-23,28-29H,2-5,7,9-13,15,17,24-27H2,1H3,(H,42,44)(H,43,46)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.30n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using acetylcholine as substrate preincubated for 5 mins prior to substrate addition measured after 2 mins by Ellman'...


Bioorg Med Chem 21: 2462-70 (2013)


Article DOI: 10.1016/j.bmc.2013.03.005
BindingDB Entry DOI: 10.7270/Q2319X82
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50458104
PNG
(CHEMBL4212711)
Show SMILES Cc1nc(C)c(COc2ccc(CC(O)C(=O)NCCCCCCNc3c4CCCCc4nc4ccccc34)cc2OCc2nc(C)c(C)nc2C)nc1C
Show InChI InChI=1S/C44H55N7O4/c1-27-29(3)49-38(31(5)47-27)25-54-41-20-19-33(24-42(41)55-26-39-32(6)48-28(2)30(4)50-39)23-40(52)44(53)46-22-14-8-7-13-21-45-43-34-15-9-11-17-36(34)51-37-18-12-10-16-35(37)43/h9,11,15,17,19-20,24,40,52H,7-8,10,12-14,16,18,21-23,25-26H2,1-6H3,(H,45,51)(H,46,53)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.30n/an/an/an/an/an/a



Chinese Academy of Medical Sciences & Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of equine serum BCHE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by DTNB addition for 5 mins and subsequ...


Eur J Med Chem 148: 238-254 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.028
BindingDB Entry DOI: 10.7270/Q2CF9SQV
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50433320
PNG
(CHEMBL2376476)
Show SMILES CC(C(=O)NCCCCCCNc1c2CCCCc2nc2ccccc12)c1ccc(c(F)c1)-c1ccc(OCCCCO[N+]([O-])=O)cc1
Show InChI InChI=1S/C38H45FN4O5/c1-27(29-18-21-31(34(39)26-29)28-16-19-30(20-17-28)47-24-10-11-25-48-43(45)46)38(44)41-23-9-3-2-8-22-40-37-32-12-4-6-14-35(32)42-36-15-7-5-13-33(36)37/h4,6,12,14,16-21,26-27H,2-3,5,7-11,13,15,22-25H2,1H3,(H,40,42)(H,41,44)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.30n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using acetylcholine as substrate preincubated for 5 mins prior to substrate addition measured after 2 mins by Ellman'...


Bioorg Med Chem 21: 2462-70 (2013)


Article DOI: 10.1016/j.bmc.2013.03.005
BindingDB Entry DOI: 10.7270/Q2319X82
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50396125
PNG
(CHEMBL2171323)
Show SMILES COc1cc(\C=C\C(=O)NCCCCCCNc2c3CCCCc3nc3ccccc23)ccc1OCCCCO[N+]([O-])=O
Show InChI InChI=1S/C33H42N4O6/c1-41-31-24-25(16-18-30(31)42-22-10-11-23-43-37(39)40)17-19-32(38)34-20-8-2-3-9-21-35-33-26-12-4-6-14-28(26)36-29-15-7-5-13-27(29)33/h4,6,12,14,16-19,24H,2-3,5,7-11,13,15,20-23H2,1H3,(H,34,38)(H,35,36)/b19-17+
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.40n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate after 5 mins by Ellman's method


J Med Chem 55: 4309-21 (2012)


Article DOI: 10.1021/jm300106z
BindingDB Entry DOI: 10.7270/Q21837N7
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
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)
PDB

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEBI
CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 1.5n/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated with enzyme for 5 mins prior to substrate addition measured...


Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111785
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cholinesterase


(Equus caballus (Horse))
BDBM50210854
PNG
(CHEMBL3960040)
Show SMILES Fc1cccc(CCn2c3CCCNC(=O)c3c3ccccc23)c1
Show InChI InChI=1S/C20H19FN2O/c21-15-6-3-5-14(13-15)10-12-23-17-8-2-1-7-16(17)19-18(23)9-4-11-22-20(19)24/h1-3,5-8,13H,4,9-12H2,(H,22,24)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.5n/an/an/an/an/an/a



University of Bari"A. Moro"

Curated by ChEMBL


Assay Description
Inhibition of horse serum BChE pretreated for 20 mins followed by butyrylthiocholine iodide substrate addition measured for 5 mins by Ellman's method


Eur J Med Chem 125: 288-298 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.037
BindingDB Entry DOI: 10.7270/Q2G44S9D
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50433315
PNG
(CHEMBL2376481)
Show SMILES CC(C(=O)NCCCCCCCCNc1c2CCCCc2nc2ccccc12)c1ccc(c(F)c1)-c1ccc(OCCCCCCO[N+]([O-])=O)cc1
Show InChI InChI=1S/C42H53FN4O5/c1-31(33-22-25-35(38(43)30-33)32-20-23-34(24-21-32)51-28-14-6-7-15-29-52-47(49)50)42(48)45-27-13-5-3-2-4-12-26-44-41-36-16-8-10-18-39(36)46-40-19-11-9-17-37(40)41/h8,10,16,18,20-25,30-31H,2-7,9,11-15,17,19,26-29H2,1H3,(H,44,46)(H,45,48)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.5n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using acetylcholine as substrate preincubated for 5 mins prior to substrate addition measured after 2 mins by Ellman'...


Bioorg Med Chem 21: 2462-70 (2013)


Article DOI: 10.1016/j.bmc.2013.03.005
BindingDB Entry DOI: 10.7270/Q2319X82
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50456825
PNG
(CHEMBL4210401)
Show SMILES [Br-].Cc1ccccc1C[n+]1ccc(COc2ccc3c(C)cc(=O)oc3c2)cc1
Show InChI InChI=1S/C24H22NO3/c1-17-5-3-4-6-20(17)15-25-11-9-19(10-12-25)16-27-21-7-8-22-18(2)13-24(26)28-23(22)14-21/h3-14H,15-16H2,1-2H3/q+1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.60n/an/an/an/an/an/a



Shanghai University of Traditional Chinese Medicine

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using S-butyrylthiocholine iodide as substrate preincubated for 6 mins followed by substrate addition measured up to...


Eur J Med Chem 139: 48-59 (2017)


Article DOI: 10.1016/j.ejmech.2017.07.055
BindingDB Entry DOI: 10.7270/Q2GM89X1
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50433317
PNG
(CHEMBL2376479)
Show SMILES CC(C(=O)NCCCCCCCCNc1c2CCCCc2nc2ccccc12)c1ccc(c(F)c1)-c1ccc(OCCCO[N+]([O-])=O)cc1
Show InChI InChI=1S/C39H47FN4O5/c1-28(30-19-22-32(35(40)27-30)29-17-20-31(21-18-29)48-25-12-26-49-44(46)47)39(45)42-24-11-5-3-2-4-10-23-41-38-33-13-6-8-15-36(33)43-37-16-9-7-14-34(37)38/h6,8,13,15,17-22,27-28H,2-5,7,9-12,14,16,23-26H2,1H3,(H,41,43)(H,42,45)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.60n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using acetylcholine as substrate preincubated for 5 mins prior to substrate addition measured after 2 mins by Ellman'...


Bioorg Med Chem 21: 2462-70 (2013)


Article DOI: 10.1016/j.bmc.2013.03.005
BindingDB Entry DOI: 10.7270/Q2319X82
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50456822
PNG
(CHEMBL4205764)
Show SMILES [Br-].Cc1cc(=O)oc2cc(OCc3cc[n+](Cc4ccccc4F)cc3)ccc12
Show InChI InChI=1S/C23H19FNO3/c1-16-12-23(26)28-22-13-19(6-7-20(16)22)27-15-17-8-10-25(11-9-17)14-18-4-2-3-5-21(18)24/h2-13H,14-15H2,1H3/q+1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.60n/an/an/an/an/an/a



Shanghai University of Traditional Chinese Medicine

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using S-butyrylthiocholine iodide as substrate preincubated for 6 mins followed by substrate addition measured up to...


Eur J Med Chem 139: 48-59 (2017)


Article DOI: 10.1016/j.ejmech.2017.07.055
BindingDB Entry DOI: 10.7270/Q2GM89X1
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50396123
PNG
(CHEMBL2171325)
Show SMILES COc1cc(\C=C\C(=O)NCCCCCCCCNc2c3CCCCc3nc3ccccc23)ccc1OCCO[N+]([O-])=O
Show InChI InChI=1S/C33H42N4O6/c1-41-31-24-25(16-18-30(31)42-22-23-43-37(39)40)17-19-32(38)34-20-10-4-2-3-5-11-21-35-33-26-12-6-8-14-28(26)36-29-15-9-7-13-27(29)33/h6,8,12,14,16-19,24H,2-5,7,9-11,13,15,20-23H2,1H3,(H,34,38)(H,35,36)/b19-17+
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.60n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate after 5 mins by Ellman's method


J Med Chem 55: 4309-21 (2012)


Article DOI: 10.1021/jm300106z
BindingDB Entry DOI: 10.7270/Q21837N7
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50275269
PNG
(CHEMBL4129504)
Show SMILES COc1ccccc1C1CC(=Nc2ccccc2S1)c1cc2cc(Br)ccc2o1
Show InChI InChI=1S/C24H18BrNO2S/c1-27-21-8-4-2-6-17(21)24-14-19(26-18-7-3-5-9-23(18)29-24)22-13-15-12-16(25)10-11-20(15)28-22/h2-13,24H,14H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.80n/an/an/an/an/an/a



Alzahra University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate pretreated for 15 mins followed by substrate addition measured for 6 min...


Bioorg Med Chem 26: 3076-3095 (2018)


Article DOI: 10.1016/j.bmc.2018.02.049
BindingDB Entry DOI: 10.7270/Q2SF2ZPJ
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50396121
PNG
(CHEMBL2171327)
Show SMILES COc1cc(\C=C\C(=O)NCCCCCCCCNc2c3CCCCc3nc3ccccc23)ccc1OCCCCO[N+]([O-])=O
Show InChI InChI=1S/C35H46N4O6/c1-43-33-26-27(18-20-32(33)44-24-12-13-25-45-39(41)42)19-21-34(40)36-22-10-4-2-3-5-11-23-37-35-28-14-6-8-16-30(28)38-31-17-9-7-15-29(31)35/h6,8,14,16,18-21,26H,2-5,7,9-13,15,17,22-25H2,1H3,(H,36,40)(H,37,38)/b21-19+
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.80n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate after 5 mins by Ellman's method


J Med Chem 55: 4309-21 (2012)


Article DOI: 10.1021/jm300106z
BindingDB Entry DOI: 10.7270/Q21837N7
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50380540
PNG
(CHEMBL2019027)
Show SMILES O=C(NCCCCCCCNc1c2CCCCc2nc2ccccc12)c1cc(=O)c2ccccc2o1
Show InChI InChI=1S/C30H33N3O3/c34-26-20-28(36-27-17-9-6-14-23(26)27)30(35)32-19-11-3-1-2-10-18-31-29-21-12-4-7-15-24(21)33-25-16-8-5-13-22(25)29/h4,6-7,9,12,14-15,17,20H,1-3,5,8,10-11,13,16,18-19H2,(H,31,33)(H,32,35)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.80n/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Inhibition of horse serum BChE by Ellman's method


J Med Chem 55: 1303-17 (2012)


Article DOI: 10.1021/jm201460y
BindingDB Entry DOI: 10.7270/Q2M32WS2
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50396120
PNG
(CHEMBL2169901)
Show SMILES COc1cc(\C=C\C(=O)NCCCCCCCCNc2c3CCCCc3nc3ccccc23)ccc1OCCCCCCO[N+]([O-])=O
Show InChI InChI=1S/C37H50N4O6/c1-45-35-28-29(20-22-34(35)46-26-14-6-7-15-27-47-41(43)44)21-23-36(42)38-24-12-4-2-3-5-13-25-39-37-30-16-8-10-18-32(30)40-33-19-11-9-17-31(33)37/h8,10,16,18,20-23,28H,2-7,9,11-15,17,19,24-27H2,1H3,(H,38,42)(H,39,40)/b23-21+
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.90n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate after 5 mins by Ellman's method


J Med Chem 55: 4309-21 (2012)


Article DOI: 10.1021/jm300106z
BindingDB Entry DOI: 10.7270/Q21837N7
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
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)
PDB

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEBI
CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


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


Bioorg Med Chem Lett 26: 4140-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.054
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50068350
PNG
(CHEMBL3402303)
Show SMILES C(CNC1CCN(Cc2ccccc2)CC1)Cn1ccc2ccccc12
Show InChI InChI=1S/C23H29N3/c1-2-7-20(8-3-1)19-25-16-12-22(13-17-25)24-14-6-15-26-18-11-21-9-4-5-10-23(21)26/h1-5,7-11,18,22,24H,6,12-17,19H2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Jagiellonian University

Curated by ChEMBL


Assay Description
Inhibition of horse serum BChE using butyrylthiocholine iodide as substrate preincubated for 5 mins by Ellman method


Bioorg Med Chem 23: 2445-57 (2015)


Article DOI: 10.1016/j.bmc.2015.03.051
BindingDB Entry DOI: 10.7270/Q2CZ38VB
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 4222 total )  |  Next  |  Last  >>
Jump to: