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Compile Data Set for Download or QSAR

Found 363 hits of ki 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
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)
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0.700n/an/an/an/an/an/an/an/a



University of Bari"A. Moro"

Curated by ChEMBL


Assay Description
Competitive inhibition of horse serum BChE in presence of varying levels of butyrylthiocholine iodide substrate by Lineweaver-burk plot 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
Cholinesterase


(Equus caballus (Horse))
BDBM50515454
PNG
(CHEMBL4550977)
Show SMILES C(Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C35H34N2O2/c1-3-11-27(12-4-1)24-38-33-20-19-26(23-34(33)39-25-28-13-5-2-6-14-28)21-22-36-35-29-15-7-9-17-31(29)37-32-18-10-8-16-30(32)35/h1-7,9,11-15,17,19-20,23H,8,10,16,18,21-22,24-25H2,(H,36,37)
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1.10n/an/an/an/an/an/an/an/a



Universidad de Sevilla

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE assessed as dissociation constant for enzyme-substrate-inhibitor complex using butyrylthiocholine iodide as substrat...


Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.07.053
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50515472
PNG
(CHEMBL4469822)
Show SMILES C(Cc1ccc(OCc2ccccc2)cc1)Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C28H28N2O/c1-2-8-22(9-3-1)20-31-23-16-14-21(15-17-23)18-19-29-28-24-10-4-6-12-26(24)30-27-13-7-5-11-25(27)28/h1-4,6,8-10,12,14-17H,5,7,11,13,18-20H2,(H,29,30)
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1.10n/an/an/an/an/an/an/an/a



Universidad de Sevilla

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE assessed as dissociation constant for enzyme-substrate-inhibitor complex using butyrylthiocholine iodide as substrat...


Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.07.053
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50235800
PNG
(BAMBUTEROL | Bambuterol | CHEBI:553827)
Show SMILES CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc(c1)C(O)CNC(C)(C)C
Show InChI InChI=1S/C18H29N3O5/c1-18(2,3)19-11-15(22)12-8-13(25-16(23)20(4)5)10-14(9-12)26-17(24)21(6)7/h8-10,15,19,22H,11H2,1-7H3
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1.40n/an/an/an/an/an/an/an/a



South China University of Technology

Curated by ChEMBL


Assay Description
Antagonism of batrachotoxin-mediated sodium ion uptake into cultured neuroblastoma cells


Eur J Med Chem 126: 61-71 (2017)


Article DOI: 10.1016/j.ejmech.2016.08.061
BindingDB Entry DOI: 10.7270/Q2571F8X
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50235799
PNG
(CHEMBL4096024)
Show SMILES Cl.CCC(C)(C)NCC(O)c1cc(OC(=O)N(C)C)cc(OC(=O)N(C)C)c1
Show InChI InChI=1S/C19H31N3O5.ClH/c1-8-19(2,3)20-12-16(23)13-9-14(26-17(24)21(4)5)11-15(10-13)27-18(25)22(6)7;/h9-11,16,20,23H,8,12H2,1-7H3;1H
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1.40n/an/an/an/an/an/an/an/a



South China University of Technology

Curated by ChEMBL


Assay Description
Irreversible inhibition of equine serum BuChE assessed as second order carbamylation rate constant using S-butyrylthiocholine iodide as substrate pre...


Eur J Med Chem 126: 61-71 (2017)


Article DOI: 10.1016/j.ejmech.2016.08.061
BindingDB Entry DOI: 10.7270/Q2571F8X
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50515453
PNG
(CHEMBL4588525)
Show SMILES C(CCNc1c2CCCCc2nc2ccccc12)CCOCCc1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C33H38N2O2/c1-3-11-27(12-4-1)25-37-28-19-17-26(18-20-28)21-24-36-23-10-2-9-22-34-33-29-13-5-7-15-31(29)35-32-16-8-6-14-30(32)33/h1,3-5,7,11-13,15,17-20H,2,6,8-10,14,16,21-25H2,(H,34,35)
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1.5n/an/an/an/an/an/an/an/a



Universidad de Sevilla

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE assessed as dissociation constant for enzyme-substrate-inhibitor complex using butyrylthiocholine iodide as substrat...


Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.07.053
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50235801
PNG
(CHEMBL4098455)
Show SMILES Cl.CCN(C)C(=O)Oc1cc(OC(=O)N(C)CC)cc(c1)C(O)CNC(C)(C)CC
Show InChI InChI=1S/C21H35N3O5.ClH/c1-8-21(4,5)22-14-18(25)15-11-16(28-19(26)23(6)9-2)13-17(12-15)29-20(27)24(7)10-3;/h11-13,18,22,25H,8-10,14H2,1-7H3;1H
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1.5n/an/an/an/an/an/an/an/a



South China University of Technology

Curated by ChEMBL


Assay Description
Antagonism of batrachotoxin-mediated sodium ion uptake into cultured neuroblastoma cells


Eur J Med Chem 126: 61-71 (2017)


Article DOI: 10.1016/j.ejmech.2016.08.061
BindingDB Entry DOI: 10.7270/Q2571F8X
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50433313
PNG
(CHEMBL2376474)
Show SMILES CC(C(=O)NCCCCCCNc1c2CCCCc2nc2ccccc12)c1ccc(c(F)c1)-c1ccc(OCCO[N+]([O-])=O)cc1
Show InChI InChI=1S/C36H41FN4O5/c1-25(27-16-19-29(32(37)24-27)26-14-17-28(18-15-26)45-22-23-46-41(43)44)36(42)39-21-9-3-2-8-20-38-35-30-10-4-6-12-33(30)40-34-13-7-5-11-31(34)35/h4,6,10,12,14-19,24-25H,2-3,5,7-9,11,13,20-23H2,1H3,(H,38,40)(H,39,42)
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1.70n/an/an/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Competitive inhibition of equine serum BChE by Lineweaver Burk reciprocal plot analysis in presence of acetylcholine


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))
BDBM50515473
PNG
(CHEMBL4572757)
Show SMILES Oc1ccc(CNCCCCCCNc2c3CCCCc3nc3ccccc23)cc1O
Show InChI InChI=1S/C26H33N3O2/c30-24-14-13-19(17-25(24)31)18-27-15-7-1-2-8-16-28-26-20-9-3-5-11-22(20)29-23-12-6-4-10-21(23)26/h3,5,9,11,13-14,17,27,30-31H,1-2,4,6-8,10,12,15-16,18H2,(H,28,29)
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1.70n/an/an/an/an/an/an/an/a



Universidad de Sevilla

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE assessed as dissociation constant for enzyme-substrate-inhibitor complex using butyrylthiocholine iodide as substrat...


Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.07.053
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50515453
PNG
(CHEMBL4588525)
Show SMILES C(CCNc1c2CCCCc2nc2ccccc12)CCOCCc1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C33H38N2O2/c1-3-11-27(12-4-1)25-37-28-19-17-26(18-20-28)21-24-36-23-10-2-9-22-34-33-29-13-5-7-15-31(29)35-32-16-8-6-14-30(32)33/h1,3-5,7,11-13,15,17-20H,2,6,8-10,14,16,21-25H2,(H,34,35)
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1.90n/an/an/an/an/an/an/an/a



Universidad de Sevilla

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE assessed as dissociation constant for enzyme-inhibitor complex using butyrylthiocholine iodide as substrate measured...


Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.07.053
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50515465
PNG
(CHEMBL4536715)
Show SMILES Oc1ccc(\C=N\c2c3CCCCc3nc3ccccc23)cc1O
Show InChI InChI=1S/C20H18N2O2/c23-18-10-9-13(11-19(18)24)12-21-20-14-5-1-3-7-16(14)22-17-8-4-2-6-15(17)20/h1,3,5,7,9-12,23-24H,2,4,6,8H2/b21-12+
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1.90n/an/an/an/an/an/an/an/a



Universidad de Sevilla

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE assessed as dissociation constant for enzyme-substrate-inhibitor complex using butyrylthiocholine iodide as substrat...


Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.07.053
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50515470
PNG
(CHEMBL4555120)
Show SMILES COc1ccc(CCOCCCCCNc2c3CCCCc3nc3ccccc23)cc1OC
Show InChI InChI=1S/C28H36N2O3/c1-31-26-15-14-21(20-27(26)32-2)16-19-33-18-9-3-8-17-29-28-22-10-4-6-12-24(22)30-25-13-7-5-11-23(25)28/h4,6,10,12,14-15,20H,3,5,7-9,11,13,16-19H2,1-2H3,(H,29,30)
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1.90n/an/an/an/an/an/an/an/a



Universidad de Sevilla

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE assessed as dissociation constant for enzyme-substrate-inhibitor complex using butyrylthiocholine iodide as substrat...


Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.07.053
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM8963
PNG
(CHEMBL32823 | Homodimeric Tacrine Analog 3b | N-[7...)
Show SMILES C(CCCNc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C33H40N4/c1(2-12-22-34-32-24-14-4-8-18-28(24)36-29-19-9-5-15-25(29)32)3-13-23-35-33-26-16-6-10-20-30(26)37-31-21-11-7-17-27(31)33/h4,6,8,10,14,16,18,20H,1-3,5,7,9,11-13,15,17,19,21-23H2,(H,34,36)(H,35,37)
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2n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Inhibition of horse BuChE


J Med Chem 51: 3154-70 (2008)


Article DOI: 10.1021/jm701253t
BindingDB Entry DOI: 10.7270/Q22Z16D4
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50515459
PNG
(CHEMBL4545701)
Show SMILES C(CCNc1c2CCCCc2nc2ccccc12)CCOCCc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1
Show InChI InChI=1S/C40H44N2O3/c1-4-14-32(15-5-1)29-44-38-23-22-31(28-39(38)45-30-33-16-6-2-7-17-33)24-27-43-26-13-3-12-25-41-40-34-18-8-10-20-36(34)42-37-21-11-9-19-35(37)40/h1-2,4-8,10,14-18,20,22-23,28H,3,9,11-13,19,21,24-27,29-30H2,(H,41,42)
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2.70n/an/an/an/an/an/an/an/a



Universidad de Sevilla

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE assessed as dissociation constant for enzyme-substrate-inhibitor complex using butyrylthiocholine iodide as substrat...


Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.07.053
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50515460
PNG
(CHEMBL4475228)
Show SMILES COc1ccc(CCOCCCCCNc2c3CCCCc3nc3ccccc23)cc1
Show InChI InChI=1S/C27H34N2O2/c1-30-22-15-13-21(14-16-22)17-20-31-19-8-2-7-18-28-27-23-9-3-5-11-25(23)29-26-12-6-4-10-24(26)27/h3,5,9,11,13-16H,2,4,6-8,10,12,17-20H2,1H3,(H,28,29)
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2.90n/an/an/an/an/an/an/an/a



Universidad de Sevilla

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE assessed as dissociation constant for enzyme-substrate-inhibitor complex using butyrylthiocholine iodide as substrat...


Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.07.053
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50515461
PNG
(CHEMBL4535585)
Show SMILES Oc1ccc(CNc2c3CCCCc3nc3ccccc23)cc1O
Show InChI InChI=1S/C20H20N2O2/c23-18-10-9-13(11-19(18)24)12-21-20-14-5-1-3-7-16(14)22-17-8-4-2-6-15(17)20/h1,3,5,7,9-11,23-24H,2,4,6,8,12H2,(H,21,22)
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3.20n/an/an/an/an/an/an/an/a



Universidad de Sevilla

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE assessed as dissociation constant for enzyme-substrate-inhibitor complex using butyrylthiocholine iodide as substrat...


Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.07.053
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50515468
PNG
(CHEMBL4483710)
Show SMILES Oc1ccc(CNc2c3CCCCc3nc3ccccc23)cc1
Show InChI InChI=1S/C20H20N2O/c23-15-11-9-14(10-12-15)13-21-20-16-5-1-3-7-18(16)22-19-8-4-2-6-17(19)20/h1,3,5,7,9-12,23H,2,4,6,8,13H2,(H,21,22)
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3.20n/an/an/an/an/an/an/an/a



Universidad de Sevilla

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE assessed as dissociation constant for enzyme-substrate-inhibitor complex using butyrylthiocholine iodide as substrat...


Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.07.053
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM8974
PNG
(CHEMBL367067 | N-Methyl-N-(1,2,3,4-tetrahydroacrid...)
Show SMILES CN(CCCNc1c2CCCCc2nc2ccccc12)CCCSc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C33H40N4S/c1-37(21-10-20-34-32-24-12-2-6-16-28(24)35-29-17-7-3-13-25(29)32)22-11-23-38-33-26-14-4-8-18-30(26)36-31-19-9-5-15-27(31)33/h2,4,6,8,12,14,16,18H,3,5,7,9-11,13,15,17,19-23H2,1H3,(H,34,35)
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4.20n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Inhibition of horse BuChE


J Med Chem 51: 3154-70 (2008)


Article DOI: 10.1021/jm701253t
BindingDB Entry DOI: 10.7270/Q22Z16D4
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50515471
PNG
(CHEMBL4531167)
Show SMILES Oc1ccc(CCOCCCCCNc2c3CCCCc3nc3ccccc23)cc1
Show InChI InChI=1S/C26H32N2O2/c29-21-14-12-20(13-15-21)16-19-30-18-7-1-6-17-27-26-22-8-2-4-10-24(22)28-25-11-5-3-9-23(25)26/h2,4,8,10,12-15,29H,1,3,5-7,9,11,16-19H2,(H,27,28)
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4.5n/an/an/an/an/an/an/an/a



Universidad de Sevilla

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE assessed as dissociation constant for enzyme-substrate-inhibitor complex using butyrylthiocholine iodide as substrat...


Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.07.053
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50515459
PNG
(CHEMBL4545701)
Show SMILES C(CCNc1c2CCCCc2nc2ccccc12)CCOCCc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1
Show InChI InChI=1S/C40H44N2O3/c1-4-14-32(15-5-1)29-44-38-23-22-31(28-39(38)45-30-33-16-6-2-7-17-33)24-27-43-26-13-3-12-25-41-40-34-18-8-10-20-36(34)42-37-21-11-9-19-35(37)40/h1-2,4-8,10,14-18,20,22-23,28H,3,9,11-13,19,21,24-27,29-30H2,(H,41,42)
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4.60n/an/an/an/an/an/an/an/a



Universidad de Sevilla

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE assessed as dissociation constant for enzyme-inhibitor complex using butyrylthiocholine iodide as substrate measured...


Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.07.053
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50515469
PNG
(CHEMBL4521755)
Show SMILES Oc1cc(\C=N\c2c3CCCCc3nc3ccccc23)cc(O)c1O
Show InChI InChI=1S/C20H18N2O3/c23-17-9-12(10-18(24)20(17)25)11-21-19-13-5-1-3-7-15(13)22-16-8-4-2-6-14(16)19/h1,3,5,7,9-11,23-25H,2,4,6,8H2/b21-11+
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5.80n/an/an/an/an/an/an/an/a



Universidad de Sevilla

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE assessed as dissociation constant for enzyme-substrate-inhibitor complex using butyrylthiocholine iodide as substrat...


Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.07.053
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM199186
PNG
(N-(3,4-Dimethoxybenzyl)-1,2,3,4-tetrahydroacridin-...)
Show SMILES COc1ccc(CNc2c3CCCCc3nc3ccccc23)cc1OC
Show InChI InChI=1S/C22H24N2O2/c1-25-20-12-11-15(13-21(20)26-2)14-23-22-16-7-3-5-9-18(16)24-19-10-6-4-8-17(19)22/h3,5,7,9,11-13H,4,6,8,10,14H2,1-2H3,(H,23,24)
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6.40n/an/an/an/an/an/an/an/a



Universidad de Sevilla

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE assessed as dissociation constant for enzyme-substrate-inhibitor complex using butyrylthiocholine iodide as substrat...


Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.07.053
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50515470
PNG
(CHEMBL4555120)
Show SMILES COc1ccc(CCOCCCCCNc2c3CCCCc3nc3ccccc23)cc1OC
Show InChI InChI=1S/C28H36N2O3/c1-31-26-15-14-21(20-27(26)32-2)16-19-33-18-9-3-8-17-29-28-22-10-4-6-12-24(22)30-25-13-7-5-11-23(25)28/h4,6,10,12,14-15,20H,3,5,7-9,11,13,16-19H2,1-2H3,(H,29,30)
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7n/an/an/an/an/an/an/an/a



Universidad de Sevilla

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE assessed as dissociation constant for enzyme-inhibitor complex using butyrylthiocholine iodide as substrate measured...


Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.07.053
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50515473
PNG
(CHEMBL4572757)
Show SMILES Oc1ccc(CNCCCCCCNc2c3CCCCc3nc3ccccc23)cc1O
Show InChI InChI=1S/C26H33N3O2/c30-24-14-13-19(17-25(24)31)18-27-15-7-1-2-8-16-28-26-20-9-3-5-11-22(20)29-23-12-6-4-10-21(23)26/h3,5,9,11,13-14,17,27,30-31H,1-2,4,6-8,10,12,15-16,18H2,(H,28,29)
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7.90n/an/an/an/an/an/an/an/a



Universidad de Sevilla

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE assessed as dissociation constant for enzyme-inhibitor complex using butyrylthiocholine iodide as substrate measured...


Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.07.053
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50515462
PNG
(CHEMBL4589250)
Show SMILES Oc1ccc(CCOCCCCCNc2c3CCCCc3nc3ccccc23)cc1O
Show InChI InChI=1S/C26H32N2O3/c29-24-13-12-19(18-25(24)30)14-17-31-16-7-1-6-15-27-26-20-8-2-4-10-22(20)28-23-11-5-3-9-21(23)26/h2,4,8,10,12-13,18,29-30H,1,3,5-7,9,11,14-17H2,(H,27,28)
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9n/an/an/an/an/an/an/an/a



Universidad de Sevilla

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE assessed as dissociation constant for enzyme-substrate-inhibitor complex using butyrylthiocholine iodide as substrat...


Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.07.053
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50345196
PNG
(CHEMBL1783191 | N1-(3,4-Dimethoxybenzyl)-N5-(1,2,3...)
Show SMILES COc1ccc(CNCCCCCNc2c3CCCCc3nc3ccccc23)cc1OC
Show InChI InChI=1S/C27H35N3O2/c1-31-25-15-14-20(18-26(25)32-2)19-28-16-8-3-9-17-29-27-21-10-4-6-12-23(21)30-24-13-7-5-11-22(24)27/h4,6,10,12,14-15,18,28H,3,5,7-9,11,13,16-17,19H2,1-2H3,(H,29,30)
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9.90n/an/an/an/an/an/an/an/a



Universidad de Sevilla

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE assessed as dissociation constant for enzyme-substrate-inhibitor complex using butyrylthiocholine iodide as substrat...


Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.07.053
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50234798
PNG
(CHEMBL4091899)
Show SMILES C[C@@H](N)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(=O)OCc1ccccc1
Show InChI InChI=1S/C38H57NO4/c1-24(39)27-15-20-38(33(41)42-23-26-11-9-8-10-12-26)22-21-36(6)28(32(27)38)13-14-30-35(5)18-17-31(43-25(2)40)34(3,4)29(35)16-19-37(30,36)7/h8-12,24,27-32H,13-23,39H2,1-7H3/t24-,27+,28-,29+,30-,31+,32-,35+,36-,37-,38+/m1/s1
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10n/an/an/an/an/an/an/an/a



Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Competitive inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition meas...


Eur J Med Chem 126: 652-668 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.056
BindingDB Entry DOI: 10.7270/Q2X0698K
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50456710
PNG
(CHEMBL4213722)
Show SMILES Cc1ccc(NC(=[Se])NCCCCCCNc2c3CCCCc3nc3ccccc23)cc1
Show InChI InChI=1S/C27H34N4Se/c1-20-14-16-21(17-15-20)30-27(32)29-19-9-3-2-8-18-28-26-22-10-4-6-12-24(22)31-25-13-7-5-11-23(25)26/h4,6,10,12,14-17H,2-3,5,7-9,11,13,18-19H2,1H3,(H,28,31)(H2,29,30,32)
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11n/an/an/an/an/an/an/an/a



Universidad de Sevilla

Curated by ChEMBL


Assay Description
Non-competitive inhibition of equine serum BuChE assessed as enzyme-inhibitor complex using p-nitrophenyl butyrate as substrate by Lineweaver-Burk pl...


Eur J Med Chem 138: 761-773 (2017)


Article DOI: 10.1016/j.ejmech.2017.06.048
BindingDB Entry DOI: 10.7270/Q2CV4MCJ
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50456710
PNG
(CHEMBL4213722)
Show SMILES Cc1ccc(NC(=[Se])NCCCCCCNc2c3CCCCc3nc3ccccc23)cc1
Show InChI InChI=1S/C27H34N4Se/c1-20-14-16-21(17-15-20)30-27(32)29-19-9-3-2-8-18-28-26-22-10-4-6-12-24(22)31-25-13-7-5-11-23(25)26/h4,6,10,12,14-17H,2-3,5,7-9,11,13,18-19H2,1H3,(H,28,31)(H2,29,30,32)
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11n/an/an/an/an/an/an/an/a



Universidad de Sevilla

Curated by ChEMBL


Assay Description
Non-competitive inhibition of equine serum BuChE assessed as enzyme-substrate-inhibitor complex using p-nitrophenyl butyrate as substrate by Lineweav...


Eur J Med Chem 138: 761-773 (2017)


Article DOI: 10.1016/j.ejmech.2017.06.048
BindingDB Entry DOI: 10.7270/Q2CV4MCJ
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50515465
PNG
(CHEMBL4536715)
Show SMILES Oc1ccc(\C=N\c2c3CCCCc3nc3ccccc23)cc1O
Show InChI InChI=1S/C20H18N2O2/c23-18-10-9-13(11-19(18)24)12-21-20-14-5-1-3-7-16(14)22-17-8-4-2-6-15(17)20/h1,3,5,7,9-12,23-24H,2,4,6,8H2/b21-12+
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11n/an/an/an/an/an/an/an/a



Universidad de Sevilla

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE assessed as dissociation constant for enzyme-inhibitor complex using butyrylthiocholine iodide as substrate measured...


Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.07.053
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50515468
PNG
(CHEMBL4483710)
Show SMILES Oc1ccc(CNc2c3CCCCc3nc3ccccc23)cc1
Show InChI InChI=1S/C20H20N2O/c23-15-11-9-14(10-12-15)13-21-20-16-5-1-3-7-18(16)22-19-8-4-2-6-17(19)20/h1,3,5,7,9-12,23H,2,4,6,8,13H2,(H,21,22)
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12n/an/an/an/an/an/an/an/a



Universidad de Sevilla

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE assessed as dissociation constant for enzyme-inhibitor complex using butyrylthiocholine iodide as substrate measured...


Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.07.053
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50392999
PNG
(CHEMBL2152545)
Show SMILES CCCCCCCNC(=O)Oc1ccc2N(C)C3N(CCc4ccccc34)Cc2c1
Show InChI InChI=1S/C25H33N3O2/c1-3-4-5-6-9-15-26-25(29)30-21-12-13-23-20(17-21)18-28-16-14-19-10-7-8-11-22(19)24(28)27(23)2/h7-8,10-13,17,24H,3-6,9,14-16,18H2,1-2H3,(H,26,29)
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12.7n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Time dependent inhibition of equine serum BChE assessed as stability constants of inhibitor-enzyme complex using acetylthiocholine as substrate after...


ACS Med Chem Lett 3: 914-919 (2012)


Article DOI: 10.1021/ml3001825
BindingDB Entry DOI: 10.7270/Q2P27079
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50456701
PNG
(CHEMBL4218651)
Show SMILES Clc1ccc(NC(=[Se])NCCCCCCNc2c3CCCCc3nc3ccccc23)cc1
Show InChI InChI=1S/C26H31ClN4Se/c27-19-13-15-20(16-14-19)30-26(32)29-18-8-2-1-7-17-28-25-21-9-3-5-11-23(21)31-24-12-6-4-10-22(24)25/h3,5,9,11,13-16H,1-2,4,6-8,10,12,17-18H2,(H,28,31)(H2,29,30,32)
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15n/an/an/an/an/an/an/an/a



Universidad de Sevilla

Curated by ChEMBL


Assay Description
Mixed-type inhibition of equine serum BuChE assessed as enzyme-substrate-inhibitor complex using p-nitrophenyl butyrate as substrate by Lineweaver-Bu...


Eur J Med Chem 138: 761-773 (2017)


Article DOI: 10.1016/j.ejmech.2017.06.048
BindingDB Entry DOI: 10.7270/Q2CV4MCJ
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)
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17n/an/an/an/an/an/an/an/a



Universidad de Sevilla

Curated by ChEMBL


Assay Description
Competitive inhibition of equine serum BuChE assessed as enzyme-inhibitor complex using p-nitrophenyl butyrate as substrate by Lineweaver-Burk plot a...


Eur J Med Chem 138: 761-773 (2017)


Article DOI: 10.1016/j.ejmech.2017.06.048
BindingDB Entry DOI: 10.7270/Q2CV4MCJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cholinesterase


(Equus caballus (Horse))
BDBM50515467
PNG
(CHEMBL4439554)
Show SMILES Oc1ccc(\C=N\c2c3CCCCc3nc3ccccc23)cc1
Show InChI InChI=1S/C20H18N2O/c23-15-11-9-14(10-12-15)13-21-20-16-5-1-3-7-18(16)22-19-8-4-2-6-17(19)20/h1,3,5,7,9-13,23H,2,4,6,8H2/b21-13+
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17n/an/an/an/an/an/an/an/a



Universidad de Sevilla

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE assessed as dissociation constant for enzyme-substrate-inhibitor complex using butyrylthiocholine iodide as substrat...


Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.07.053
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)
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17n/an/an/an/an/an/an/an/a



Universidad de Sevilla

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE assessed as dissociation constant for enzyme-inhibitor complex using butyrylthiocholine iodide as substrate measured...


Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.07.053
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cholinesterase


(Equus caballus (Horse))
BDBM50515472
PNG
(CHEMBL4469822)
Show SMILES C(Cc1ccc(OCc2ccccc2)cc1)Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C28H28N2O/c1-2-8-22(9-3-1)20-31-23-16-14-21(15-17-23)18-19-29-28-24-10-4-6-12-26(24)30-27-13-7-5-11-25(27)28/h1-4,6,8-10,12,14-17H,5,7,11,13,18-20H2,(H,29,30)
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22n/an/an/an/an/an/an/an/a



Universidad de Sevilla

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE assessed as dissociation constant for enzyme-inhibitor complex using butyrylthiocholine iodide as substrate measured...


Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.07.053
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50515454
PNG
(CHEMBL4550977)
Show SMILES C(Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C35H34N2O2/c1-3-11-27(12-4-1)24-38-33-20-19-26(23-34(33)39-25-28-13-5-2-6-14-28)21-22-36-35-29-15-7-9-17-31(29)37-32-18-10-8-16-30(32)35/h1-7,9,11-15,17,19-20,23H,8,10,16,18,21-22,24-25H2,(H,36,37)
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22n/an/an/an/an/an/an/an/a



Universidad de Sevilla

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE assessed as dissociation constant for enzyme-inhibitor complex using butyrylthiocholine iodide as substrate measured...


Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.07.053
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50515461
PNG
(CHEMBL4535585)
Show SMILES Oc1ccc(CNc2c3CCCCc3nc3ccccc23)cc1O
Show InChI InChI=1S/C20H20N2O2/c23-18-10-9-13(11-19(18)24)12-21-20-14-5-1-3-7-16(14)22-17-8-4-2-6-15(17)20/h1,3,5,7,9-11,23-24H,2,4,6,8,12H2,(H,21,22)
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25n/an/an/an/an/an/an/an/a



Universidad de Sevilla

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE assessed as dissociation constant for enzyme-inhibitor complex using butyrylthiocholine iodide as substrate measured...


Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.07.053
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50515464
PNG
(CHEMBL3182739)
Show SMILES Oc1ccc(CCNc2c3CCCCc3nc3ccccc23)cc1O
Show InChI InChI=1S/C21H22N2O2/c24-19-10-9-14(13-20(19)25)11-12-22-21-15-5-1-3-7-17(15)23-18-8-4-2-6-16(18)21/h1,3,5,7,9-10,13,24-25H,2,4,6,8,11-12H2,(H,22,23)
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28n/an/an/an/an/an/an/an/a



Universidad de Sevilla

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE assessed as dissociation constant for enzyme-substrate-inhibitor complex using butyrylthiocholine iodide as substrat...


Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.07.053
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50456709
PNG
(CHEMBL4205454)
Show SMILES COc1ccc(NC(=[Se])NCCCCCCNc2c3CCCCc3nc3ccccc23)cc1
Show InChI InChI=1S/C27H34N4OSe/c1-32-21-16-14-20(15-17-21)30-27(33)29-19-9-3-2-8-18-28-26-22-10-4-6-12-24(22)31-25-13-7-5-11-23(25)26/h4,6,10,12,14-17H,2-3,5,7-9,11,13,18-19H2,1H3,(H,28,31)(H2,29,30,33)
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29n/an/an/an/an/an/an/an/a



Universidad de Sevilla

Curated by ChEMBL


Assay Description
Non-competitive inhibition of equine serum BuChE assessed as enzyme-substrate-inhibitor complex using p-nitrophenyl butyrate as substrate by Lineweav...


Eur J Med Chem 138: 761-773 (2017)


Article DOI: 10.1016/j.ejmech.2017.06.048
BindingDB Entry DOI: 10.7270/Q2CV4MCJ
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50515460
PNG
(CHEMBL4475228)
Show SMILES COc1ccc(CCOCCCCCNc2c3CCCCc3nc3ccccc23)cc1
Show InChI InChI=1S/C27H34N2O2/c1-30-22-15-13-21(14-16-22)17-20-31-19-8-2-7-18-28-27-23-9-3-5-11-25(23)29-26-12-6-4-10-24(26)27/h3,5,9,11,13-16H,2,4,6-8,10,12,17-20H2,1H3,(H,28,29)
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29n/an/an/an/an/an/an/an/a



Universidad de Sevilla

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE assessed as dissociation constant for enzyme-inhibitor complex using butyrylthiocholine iodide as substrate measured...


Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.07.053
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50197240
PNG
(CHEMBL248088 | KYS-05080 | N-Benzyl-2-{3-biphenyl-...)
Show SMILES CN(CCCCCN1CCCC1)C1=Nc2ccccc2C(CC(=O)NCc2ccccc2)N1c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C39H45N5O/c1-42(25-11-4-12-26-43-27-13-14-28-43)39-41-36-20-10-9-19-35(36)37(29-38(45)40-30-31-15-5-2-6-16-31)44(39)34-23-21-33(22-24-34)32-17-7-3-8-18-32/h2-3,5-10,15-24,37H,4,11-14,25-30H2,1H3,(H,40,45)
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29n/an/an/an/an/an/an/an/a



Kyung Hee University

Curated by ChEMBL


Assay Description
Mixed/noncompetitive inhibition of equine serum BCHE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addi...


Bioorg Med Chem Lett 27: 1179-1185 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.068
BindingDB Entry DOI: 10.7270/Q2P271CH
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50456709
PNG
(CHEMBL4205454)
Show SMILES COc1ccc(NC(=[Se])NCCCCCCNc2c3CCCCc3nc3ccccc23)cc1
Show InChI InChI=1S/C27H34N4OSe/c1-32-21-16-14-20(15-17-21)30-27(33)29-19-9-3-2-8-18-28-26-22-10-4-6-12-24(22)31-25-13-7-5-11-23(25)26/h4,6,10,12,14-17H,2-3,5,7-9,11,13,18-19H2,1H3,(H,28,31)(H2,29,30,33)
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29n/an/an/an/an/an/an/an/a



Universidad de Sevilla

Curated by ChEMBL


Assay Description
Non-competitive inhibition of equine serum BuChE assessed as enzyme-inhibitor complex using p-nitrophenyl butyrate as substrate by Lineweaver-Burk pl...


Eur J Med Chem 138: 761-773 (2017)


Article DOI: 10.1016/j.ejmech.2017.06.048
BindingDB Entry DOI: 10.7270/Q2CV4MCJ
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50345196
PNG
(CHEMBL1783191 | N1-(3,4-Dimethoxybenzyl)-N5-(1,2,3...)
Show SMILES COc1ccc(CNCCCCCNc2c3CCCCc3nc3ccccc23)cc1OC
Show InChI InChI=1S/C27H35N3O2/c1-31-25-15-14-20(18-26(25)32-2)19-28-16-8-3-9-17-29-27-21-10-4-6-12-23(21)30-24-13-7-5-11-22(24)27/h4,6,10,12,14-15,18,28H,3,5,7-9,11,13,16-17,19H2,1-2H3,(H,29,30)
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30n/an/an/an/an/an/an/an/a



Universidad de Sevilla

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE assessed as dissociation constant for enzyme-inhibitor complex using butyrylthiocholine iodide as substrate measured...


Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.07.053
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM199186
PNG
(N-(3,4-Dimethoxybenzyl)-1,2,3,4-tetrahydroacridin-...)
Show SMILES COc1ccc(CNc2c3CCCCc3nc3ccccc23)cc1OC
Show InChI InChI=1S/C22H24N2O2/c1-25-20-12-11-15(13-21(20)26-2)14-23-22-16-7-3-5-9-18(16)24-19-10-6-4-8-17(19)22/h3,5,7,9,11-13H,4,6,8,10,14H2,1-2H3,(H,23,24)
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31n/an/an/an/an/an/an/an/a



Universidad de Sevilla

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE assessed as dissociation constant for enzyme-inhibitor complex using butyrylthiocholine iodide as substrate measured...


Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.07.053
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50515456
PNG
(CHEMBL4564873)
Show SMILES COc1ccc(\C=N\c2c3CCCCc3nc3ccccc23)cc1OC
Show InChI InChI=1S/C22H22N2O2/c1-25-20-12-11-15(13-21(20)26-2)14-23-22-16-7-3-5-9-18(16)24-19-10-6-4-8-17(19)22/h3,5,7,9,11-14H,4,6,8,10H2,1-2H3/b23-14+
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35n/an/an/an/an/an/an/an/a



Universidad de Sevilla

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE assessed as dissociation constant for enzyme-substrate-inhibitor complex using butyrylthiocholine iodide as substrat...


Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.07.053
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50456701
PNG
(CHEMBL4218651)
Show SMILES Clc1ccc(NC(=[Se])NCCCCCCNc2c3CCCCc3nc3ccccc23)cc1
Show InChI InChI=1S/C26H31ClN4Se/c27-19-13-15-20(16-14-19)30-26(32)29-18-8-2-1-7-17-28-25-21-9-3-5-11-23(21)31-24-12-6-4-10-22(24)25/h3,5,9,11,13-16H,1-2,4,6-8,10,12,17-18H2,(H,28,31)(H2,29,30,32)
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37n/an/an/an/an/an/an/an/a



Universidad de Sevilla

Curated by ChEMBL


Assay Description
Mixed-type inhibition of equine serum BuChE assessed as enzyme-inhibitor complex using p-nitrophenyl butyrate as substrate by Lineweaver-Burk plot an...


Eur J Med Chem 138: 761-773 (2017)


Article DOI: 10.1016/j.ejmech.2017.06.048
BindingDB Entry DOI: 10.7270/Q2CV4MCJ
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50456702
PNG
(CHEMBL4213042)
Show SMILES C(CCNc1c2CCCCc2nc2ccccc12)CC[Se]CCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C36H46N4Se/c1(11-23-37-35-27-15-3-7-19-31(27)39-32-20-8-4-16-28(32)35)13-25-41-26-14-2-12-24-38-36-29-17-5-9-21-33(29)40-34-22-10-6-18-30(34)36/h3,5,7,9,15,17,19,21H,1-2,4,6,8,10-14,16,18,20,22-26H2,(H,37,39)(H,38,40)
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41n/an/an/an/an/an/an/an/a



Universidad de Sevilla

Curated by ChEMBL


Assay Description
Mixed-type inhibition of equine serum BuChE assessed as enzyme-substrate-inhibitor complex using p-nitrophenyl butyrate as substrate by Lineweaver-Bu...


Eur J Med Chem 138: 761-773 (2017)


Article DOI: 10.1016/j.ejmech.2017.06.048
BindingDB Entry DOI: 10.7270/Q2CV4MCJ
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50004000
PNG
((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...)
Show SMILES CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1
Show InChI InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15+/m1/s1
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41n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Time dependent inhibition of equine serum BChE assessed as stability constants of inhibitor-enzyme complex using acetylthiocholine as substrate after...


ACS Med Chem Lett 3: 914-919 (2012)


Article DOI: 10.1021/ml3001825
BindingDB Entry DOI: 10.7270/Q2P27079
More data for this
Ligand-Target Pair
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