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Compile Data Set for Download or QSAR

Found 2878 hits Enz. Inhib. hit(s) with Target = 'Cholinesterase' AND taxid = 9796   
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
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
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
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
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
Cholinesterase


(Equus caballus (Horse))
BDBM50210778
PNG
(CHEMBL3922793)
Show SMILES CC(C)(C)c1ccc(NC(=N)NC(=N)N2CCN(CC2)C(=N)NC(=N)Nc2ccc(cc2)C(C)(C)C)cc1
Show InChI InChI=1S/C28H42N10/c1-27(2,3)19-7-11-21(12-8-19)33-23(29)35-25(31)37-15-17-38(18-16-37)26(32)36-24(30)34-22-13-9-20(10-14-22)28(4,5)6/h7-14H,15-18H2,1-6H3,(H4,29,31,33,35)(H4,30,32,34,36)
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120n/an/an/an/an/an/an/an/a



Martin-Luther University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Competitive inhibition of equine serum butyrylcholinesterase in presence of varying butyrylthiocholine iodide substrate level preincubated for 20 min...


Eur J Med Chem 125: 430-434 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.051
BindingDB Entry DOI: 10.7270/Q2RJ4MG6
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50439497
PNG
(CHEMBL2418125)
Show SMILES COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OCCSc1ccccc1Cl
Show InChI InChI=1S/C27H23ClNO4S/c1-30-23-7-6-17-12-22-19-14-25-24(32-16-33-25)13-18(19)8-9-29(22)15-20(17)27(23)31-10-11-34-26-5-3-2-4-21(26)28/h2-7,12-15H,8-11,16H2,1H3/q+1
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177n/an/an/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Mixed-type inhibition of equine serum BChE using butylthiocholine chloride as substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem 21: 5830-40 (2013)


Article DOI: 10.1016/j.bmc.2013.07.011
BindingDB Entry DOI: 10.7270/Q2VD70X8
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50180622
PNG
(CHEMBL3814519)
Show SMILES OC1=C(CCC\C1=C/c1cccc(OCCN2CCCC2)c1)C(=O)c1ccccc1
Show InChI InChI=1S/C26H29NO3/c28-25(21-9-2-1-3-10-21)24-13-7-11-22(26(24)29)18-20-8-6-12-23(19-20)30-17-16-27-14-4-5-15-27/h1-3,6,8-10,12,18-19,29H,4-5,7,11,13-17H2/b22-18+
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200n/an/an/an/an/an/an/an/a



Universiti Putra Malaysia

Curated by ChEMBL


Assay Description
Mixed type inhibition of equine serum BChE preincubated for 15 mins followed by addition of S-butyrylthiocholine iodide as substrate measured after 3...


Bioorg Med Chem 24: 3742-51 (2016)


Article DOI: 10.1016/j.bmc.2016.06.016
BindingDB Entry DOI: 10.7270/Q208677P
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50210771
PNG
(CHEMBL3941312)
Show SMILES Ic1cccc(NC(=N)NC(=N)N2CCN(CC2)C(=N)NC(=N)Nc2cccc(I)c2)c1
Show InChI InChI=1S/C20H24I2N10/c21-13-3-1-5-15(11-13)27-17(23)29-19(25)31-7-9-32(10-8-31)20(26)30-18(24)28-16-6-2-4-14(22)12-16/h1-6,11-12H,7-10H2,(H4,23,25,27,29)(H4,24,26,28,30)
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210n/an/an/an/an/an/an/an/a



Martin-Luther University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Competitive inhibition of equine serum butyrylcholinesterase in presence of varying butyrylthiocholine iodide substrate level preincubated for 20 min...


Eur J Med Chem 125: 430-434 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.051
BindingDB Entry DOI: 10.7270/Q2RJ4MG6
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50210781
PNG
(CHEMBL3921743)
Show SMILES Brc1cccc(NC(=N)NC(=N)N2CCN(CC2)C(=N)NC(=N)Nc2cccc(Br)c2)c1
Show InChI InChI=1S/C20H24Br2N10/c21-13-3-1-5-15(11-13)27-17(23)29-19(25)31-7-9-32(10-8-31)20(26)30-18(24)28-16-6-2-4-14(22)12-16/h1-6,11-12H,7-10H2,(H4,23,25,27,29)(H4,24,26,28,30)
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230n/an/an/an/an/an/an/an/a



Martin-Luther University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Competitive inhibition of equine serum butyrylcholinesterase in presence of varying butyrylthiocholine iodide substrate level preincubated for 20 min...


Eur J Med Chem 125: 430-434 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.051
BindingDB Entry DOI: 10.7270/Q2RJ4MG6
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50392998
PNG
(CHEMBL2152544)
Show SMILES CCN(C)C(=O)Oc1ccc2N(C)C3N(CCc4ccccc34)Cc2c1
Show InChI InChI=1S/C21H25N3O2/c1-4-22(2)21(25)26-17-9-10-19-16(13-17)14-24-12-11-15-7-5-6-8-18(15)20(24)23(19)3/h5-10,13,20H,4,11-12,14H2,1-3H3
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275n/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
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50439500
PNG
(CHEMBL2418122)
Show SMILES COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OCCSc1ccccc1C
Show InChI InChI=1S/C28H26NO4S/c1-18-5-3-4-6-27(18)34-12-11-31-28-22-16-29-10-9-20-14-25-26(33-17-32-25)15-21(20)23(29)13-19(22)7-8-24(28)30-2/h3-8,13-16H,9-12,17H2,1-2H3/q+1
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299n/an/an/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Mixed-type inhibition of equine serum BChE using butylthiocholine chloride as substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem 21: 5830-40 (2013)


Article DOI: 10.1016/j.bmc.2013.07.011
BindingDB Entry DOI: 10.7270/Q2VD70X8
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50210782
PNG
(CHEMBL3905115)
Show SMILES Ic1ccc(NC(=N)NC(=N)N2CCN(CC2)C(=N)NC(=N)Nc2ccc(I)cc2)cc1
Show InChI InChI=1S/C20H24I2N10/c21-13-1-5-15(6-2-13)27-17(23)29-19(25)31-9-11-32(12-10-31)20(26)30-18(24)28-16-7-3-14(22)4-8-16/h1-8H,9-12H2,(H4,23,25,27,29)(H4,24,26,28,30)
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310n/an/an/an/an/an/an/an/a



Martin-Luther University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Competitive inhibition of equine serum butyrylcholinesterase in presence of varying butyrylthiocholine iodide substrate level preincubated for 20 min...


Eur J Med Chem 125: 430-434 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.051
BindingDB Entry DOI: 10.7270/Q2RJ4MG6
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50210773
PNG
(CHEMBL3968731)
Show SMILES Clc1ccc(NC(=N)NC(=N)N2CCN(CC2)C(=N)NC(=N)Nc2ccc(Cl)cc2Cl)c(Cl)c1
Show InChI InChI=1S/C20H22Cl4N10/c21-11-1-3-15(13(23)9-11)29-17(25)31-19(27)33-5-7-34(8-6-33)20(28)32-18(26)30-16-4-2-12(22)10-14(16)24/h1-4,9-10H,5-8H2,(H4,25,27,29,31)(H4,26,28,30,32)
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410n/an/an/an/an/an/an/an/a



Martin-Luther University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Competitive inhibition of equine serum butyrylcholinesterase in presence of varying butyrylthiocholine iodide substrate level preincubated for 20 min...


Eur J Med Chem 125: 430-434 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.051
BindingDB Entry DOI: 10.7270/Q2RJ4MG6
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50210779
PNG
(CHEMBL3950513)
Show SMILES Cc1ccc(NC(=N)NC(=N)N2CCN(CC2)C(=N)NC(=N)Nc2ccc(C)cc2)cc1
Show InChI InChI=1S/C22H30N10/c1-15-3-7-17(8-4-15)27-19(23)29-21(25)31-11-13-32(14-12-31)22(26)30-20(24)28-18-9-5-16(2)6-10-18/h3-10H,11-14H2,1-2H3,(H4,23,25,27,29)(H4,24,26,28,30)
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450n/an/an/an/an/an/an/an/a



Martin-Luther University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Competitive inhibition of equine serum butyrylcholinesterase in presence of varying butyrylthiocholine iodide substrate level preincubated for 20 min...


Eur J Med Chem 125: 430-434 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.051
BindingDB Entry DOI: 10.7270/Q2RJ4MG6
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50182486
PNG
(MALABARICONE B)
Show SMILES Oc1ccc(CCCCCCCCC(=O)c2c(O)cccc2O)cc1
Show InChI InChI=1S/C21H26O4/c22-17-14-12-16(13-15-17)8-5-3-1-2-4-6-9-18(23)21-19(24)10-7-11-20(21)25/h7,10-15,22,24-25H,1-6,8-9H2
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560n/an/an/an/an/an/an/an/a



University of Malaya

Curated by ChEMBL


Assay Description
Mixed inhibition of equine serum BChE using S-butyrylthiocholine chloride as substrate incubated for 30 mins by Lineweaver-Burk plot analysis


Bioorg Med Chem Lett 26: 3785-92 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.046
BindingDB Entry DOI: 10.7270/Q2F47R34
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50210170
PNG
(CHEMBL3894580)
Show SMILES Brc1ccc(NC(=N)NC(=N)N2CCN(CC2)C(=N)NC(=N)Nc2ccc(Br)cc2)cc1
Show InChI InChI=1S/C20H24Br2N10/c21-13-1-5-15(6-2-13)27-17(23)29-19(25)31-9-11-32(12-10-31)20(26)30-18(24)28-16-7-3-14(22)4-8-16/h1-8H,9-12H2,(H4,23,25,27,29)(H4,24,26,28,30)
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610n/an/an/an/an/an/an/an/a



Martin-Luther University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Competitive inhibition of equine serum butyrylcholinesterase in presence of varying butyrylthiocholine iodide substrate level preincubated for 20 min...


Eur J Med Chem 125: 430-434 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.051
BindingDB Entry DOI: 10.7270/Q2RJ4MG6
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50210775
PNG
(PICLOXYDINE | Picloxydine)
Show SMILES Clc1ccc(NC(=N)NC(=N)N2CCN(CC2)C(=N)NC(=N)Nc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C20H24Cl2N10/c21-13-1-5-15(6-2-13)27-17(23)29-19(25)31-9-11-32(12-10-31)20(26)30-18(24)28-16-7-3-14(22)4-8-16/h1-8H,9-12H2,(H4,23,25,27,29)(H4,24,26,28,30)
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620n/an/an/an/an/an/an/an/a



Martin-Luther University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Competitive inhibition of equine serum butyrylcholinesterase in presence of varying butyrylthiocholine iodide substrate level preincubated for 20 min...


Eur J Med Chem 125: 430-434 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.051
BindingDB Entry DOI: 10.7270/Q2RJ4MG6
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50210787
PNG
(CHEMBL3957684)
Show SMILES Clc1cccc(NC(=N)NC(=N)N2CCN(CC2)C(=N)NC(=N)Nc2cccc(Cl)c2)c1
Show InChI InChI=1S/C20H24Cl2N10/c21-13-3-1-5-15(11-13)27-17(23)29-19(25)31-7-9-32(10-8-31)20(26)30-18(24)28-16-6-2-4-14(22)12-16/h1-6,11-12H,7-10H2,(H4,23,25,27,29)(H4,24,26,28,30)
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740n/an/an/an/an/an/an/an/a



Martin-Luther University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Competitive inhibition of equine serum butyrylcholinesterase in presence of varying butyrylthiocholine iodide substrate level preincubated for 20 min...


Eur J Med Chem 125: 430-434 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.051
BindingDB Entry DOI: 10.7270/Q2RJ4MG6
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50210769
PNG
(CHEMBL3963893)
Show SMILES N=C(NC(=N)N1CCN(CC1)C(=N)NC(=N)Nc1ccccc1)Nc1ccccc1
Show InChI InChI=1S/C20H26N10/c21-17(25-15-7-3-1-4-8-15)27-19(23)29-11-13-30(14-12-29)20(24)28-18(22)26-16-9-5-2-6-10-16/h1-10H,11-14H2,(H4,21,23,25,27)(H4,22,24,26,28)
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950n/an/an/an/an/an/an/an/a



Martin-Luther University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Competitive inhibition of equine serum butyrylcholinesterase in presence of varying butyrylthiocholine iodide substrate level preincubated for 20 min...


Eur J Med Chem 125: 430-434 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.051
BindingDB Entry DOI: 10.7270/Q2RJ4MG6
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50310278
PNG
(9-O-[4-(Phenylol-1-yloxy)butyl]berberine bromide |...)
Show SMILES COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OCCCCOc1ccccc1
Show InChI InChI=1S/C29H28NO5/c1-31-26-10-9-20-15-25-23-17-28-27(34-19-35-28)16-21(23)11-12-30(25)18-24(20)29(26)33-14-6-5-13-32-22-7-3-2-4-8-22/h2-4,7-10,15-18H,5-6,11-14,19H2,1H3/q+1
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1.02E+3n/an/an/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of horse serum BChE by enzyme kinetics assay


Bioorg Med Chem 18: 1244-51 (2010)


Article DOI: 10.1016/j.bmc.2009.12.035
BindingDB Entry DOI: 10.7270/Q2D50N2T
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50182445
PNG
(CHEMBL3819220)
Show SMILES COc1ccc2C\C(=C/C3CCN(Cc4ccccc4)CC3)C(=O)c2c1
Show InChI InChI=1S/C23H25NO2/c1-26-21-8-7-19-14-20(23(25)22(19)15-21)13-17-9-11-24(12-10-17)16-18-5-3-2-4-6-18/h2-8,13,15,17H,9-12,14,16H2,1H3/b20-13+
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1.14E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi della Magna Gr£cia Viale Europa

Curated by ChEMBL


Assay Description
Mixed inhibition of horse serum BuChE using butyrylthiocoline iodide as substrate incubated for 20 mins by Lineweaver-Burk plot analysis


ACS Med Chem Lett 7: 470-5 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00483
BindingDB Entry DOI: 10.7270/Q2PN97JV
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50210780
PNG
(CHEMBL3949066)
Show SMILES Fc1ccc(NC(=N)NC(=N)N2CCN(CC2)C(=N)NC(=N)Nc2ccc(F)cc2)cc1
Show InChI InChI=1S/C20H24F2N10/c21-13-1-5-15(6-2-13)27-17(23)29-19(25)31-9-11-32(12-10-31)20(26)30-18(24)28-16-7-3-14(22)4-8-16/h1-8H,9-12H2,(H4,23,25,27,29)(H4,24,26,28,30)
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1.18E+3n/an/an/an/an/an/an/an/a



Martin-Luther University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Competitive inhibition of equine serum butyrylcholinesterase in presence of varying butyrylthiocholine iodide substrate level preincubated for 20 min...


Eur J Med Chem 125: 430-434 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.051
BindingDB Entry DOI: 10.7270/Q2RJ4MG6
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50210770
PNG
(CHEMBL3897572)
Show SMILES Brc1ccccc1NC(=N)NC(=N)N1CCN(CC1)C(=N)NC(=N)Nc1ccccc1Br
Show InChI InChI=1S/C20H24Br2N10/c21-13-5-1-3-7-15(13)27-17(23)29-19(25)31-9-11-32(12-10-31)20(26)30-18(24)28-16-8-4-2-6-14(16)22/h1-8H,9-12H2,(H4,23,25,27,29)(H4,24,26,28,30)
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1.25E+3n/an/an/an/an/an/an/an/a



Martin-Luther University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Competitive inhibition of equine serum butyrylcholinesterase in presence of varying butyrylthiocholine iodide substrate level preincubated for 20 min...


Eur J Med Chem 125: 430-434 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.051
BindingDB Entry DOI: 10.7270/Q2RJ4MG6
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50210786
PNG
(CHEMBL3924020)
Show SMILES Fc1cccc(NC(=N)NC(=N)N2CCN(CC2)C(=N)NC(=N)Nc2cccc(F)c2)c1
Show InChI InChI=1S/C20H24F2N10/c21-13-3-1-5-15(11-13)27-17(23)29-19(25)31-7-9-32(10-8-31)20(26)30-18(24)28-16-6-2-4-14(22)12-16/h1-6,11-12H,7-10H2,(H4,23,25,27,29)(H4,24,26,28,30)
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1.70E+3n/an/an/an/an/an/an/an/a



Martin-Luther University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Competitive inhibition of equine serum butyrylcholinesterase in presence of varying butyrylthiocholine iodide substrate level preincubated for 20 min...


Eur J Med Chem 125: 430-434 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.051
BindingDB Entry DOI: 10.7270/Q2RJ4MG6
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50210783
PNG
(CHEMBL3940753)
Show SMILES COc1ccc(NC(=N)NC(=N)N2CCN(CC2)C(=N)NC(=N)Nc2ccc(OC)cc2)cc1
Show InChI InChI=1S/C22H30N10O2/c1-33-17-7-3-15(4-8-17)27-19(23)29-21(25)31-11-13-32(14-12-31)22(26)30-20(24)28-16-5-9-18(34-2)10-6-16/h3-10H,11-14H2,1-2H3,(H4,23,25,27,29)(H4,24,26,28,30)
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1.78E+3n/an/an/an/an/an/an/an/a



Martin-Luther University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Competitive inhibition of equine serum butyrylcholinesterase in presence of varying butyrylthiocholine iodide substrate level preincubated for 20 min...


Eur J Med Chem 125: 430-434 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.051
BindingDB Entry DOI: 10.7270/Q2RJ4MG6
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50210171
PNG
(CHEMBL3978195)
Show SMILES Clc1ccccc1NC(=N)NC(=N)N1CCN(CC1)C(=N)NC(=N)Nc1ccccc1Cl
Show InChI InChI=1S/C20H24Cl2N10/c21-13-5-1-3-7-15(13)27-17(23)29-19(25)31-9-11-32(12-10-31)20(26)30-18(24)28-16-8-4-2-6-14(16)22/h1-8H,9-12H2,(H4,23,25,27,29)(H4,24,26,28,30)
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1.85E+3n/an/an/an/an/an/an/an/a



Martin-Luther University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Competitive inhibition of equine serum butyrylcholinesterase in presence of varying butyrylthiocholine iodide substrate level preincubated for 20 min...


Eur J Med Chem 125: 430-434 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.051
BindingDB Entry DOI: 10.7270/Q2RJ4MG6
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50210784
PNG
(CHEMBL3913329)
Show SMILES Ic1ccccc1NC(=N)NC(=N)N1CCN(CC1)C(=N)NC(=N)Nc1ccccc1I
Show InChI InChI=1S/C20H24I2N10/c21-13-5-1-3-7-15(13)27-17(23)29-19(25)31-9-11-32(12-10-31)20(26)30-18(24)28-16-8-4-2-6-14(16)22/h1-8H,9-12H2,(H4,23,25,27,29)(H4,24,26,28,30)
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1.96E+3n/an/an/an/an/an/an/an/a



Martin-Luther University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Competitive inhibition of equine serum butyrylcholinesterase in presence of varying butyrylthiocholine iodide substrate level preincubated for 20 min...


Eur J Med Chem 125: 430-434 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.051
BindingDB Entry DOI: 10.7270/Q2RJ4MG6
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50019357
PNG
(CHEMBL3289710)
Show SMILES CCOC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@H](OC(=O)[C@H](Cc6ccccc6)NC(=O)OC(C)(C)C)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1
Show InChI InChI=1S/C46H67NO7/c1-12-52-38(50)43(8)23-22-42(7)24-25-45(10)30(31(42)28-43)27-33(48)36-44(9)20-19-35(41(5,6)34(44)18-21-46(36,45)11)53-37(49)32(26-29-16-14-13-15-17-29)47-39(51)54-40(2,3)4/h13-17,27,31-32,34-36H,12,18-26,28H2,1-11H3,(H,47,51)/t31-,32-,34-,35-,36+,42+,43-,44-,45+,46+/m0/s1
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>2.00E+3n/an/an/an/an/an/an/an/a



Martin-Luther-Universit£t Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate after 20 mins measured for 1 min interval for 30 mins by Ellman's method


Bioorg Med Chem 22: 3370-8 (2014)


Article DOI: 10.1016/j.bmc.2014.04.046
BindingDB Entry DOI: 10.7270/Q26Q1ZTF
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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2.00E+3n/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))
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
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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2.07E+3n/an/an/an/an/an/an/an/a



Martin-Luther University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Competitive inhibition of equine serum butyrylcholinesterase in presence of varying butyrylthiocholine iodide substrate level preincubated for 20 min...


Eur J Med Chem 125: 430-434 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.051
BindingDB Entry DOI: 10.7270/Q2RJ4MG6
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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2.14E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi della Magna Gr£cia Viale Europa

Curated by ChEMBL


Assay Description
Non-competitive inhibition of horse serum BuChE using butyrylthiocoline iodide as substrate incubated for 20 mins by Lineweaver-Burk plot analysis


ACS Med Chem Lett 7: 470-5 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00483
BindingDB Entry DOI: 10.7270/Q2PN97JV
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50182439
PNG
(CHEMBL3819574)
Show SMILES COc1cccc(CN2CCC(CC2)\C=C2/Cc3cccc(OC)c3C2=O)c1
Show InChI InChI=1S/C24H27NO3/c1-27-21-7-3-5-18(14-21)16-25-11-9-17(10-12-25)13-20-15-19-6-4-8-22(28-2)23(19)24(20)26/h3-8,13-14,17H,9-12,15-16H2,1-2H3/b20-13+
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2.38E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi della Magna Gr£cia Viale Europa

Curated by ChEMBL


Assay Description
Non-competitive inhibition of horse serum BuChE using butyrylthiocoline iodide as substrate incubated for 20 mins by Lineweaver-Burk plot analysis


ACS Med Chem Lett 7: 470-5 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00483
BindingDB Entry DOI: 10.7270/Q2PN97JV
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50280646
PNG
(2-[1-(1-Benzyl-piperidin-4-yl)-meth-(E)-ylidene]-5...)
Show SMILES COc1cc2C\C(=C/C3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H27NO3/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/h3-7,12,14-15,17H,8-11,13,16H2,1-2H3/b20-12+
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2.44E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi della Magna Gr£cia Viale Europa

Curated by ChEMBL


Assay Description
Mixed inhibition of horse serum BuChE using butyrylthiocoline iodide as substrate incubated for 20 mins by Lineweaver-Burk plot analysis


ACS Med Chem Lett 7: 470-5 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00483
BindingDB Entry DOI: 10.7270/Q2PN97JV
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50210782
PNG
(CHEMBL3905115)
Show SMILES Ic1ccc(NC(=N)NC(=N)N2CCN(CC2)C(=N)NC(=N)Nc2ccc(I)cc2)cc1
Show InChI InChI=1S/C20H24I2N10/c21-13-1-5-15(6-2-13)27-17(23)29-19(25)31-9-11-32(12-10-31)20(26)30-18(24)28-16-7-3-14(22)4-8-16/h1-8H,9-12H2,(H4,23,25,27,29)(H4,24,26,28,30)
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2.74E+3n/an/an/an/an/an/an/an/a



Martin-Luther University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Non-competitive inhibition of equine serum butyrylcholinesterase in presence of varying butyrylthiocholine iodide substrate level preincubated for 20...


Eur J Med Chem 125: 430-434 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.051
BindingDB Entry DOI: 10.7270/Q2RJ4MG6
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50210785
PNG
(CHEMBL3975982)
Show SMILES COc1cccc(NC(=N)NC(=N)N2CCN(CC2)C(=N)NC(=N)Nc2cccc(OC)c2)c1
Show InChI InChI=1S/C22H30N10O2/c1-33-17-7-3-5-15(13-17)27-19(23)29-21(25)31-9-11-32(12-10-31)22(26)30-20(24)28-16-6-4-8-18(14-16)34-2/h3-8,13-14H,9-12H2,1-2H3,(H4,23,25,27,29)(H4,24,26,28,30)
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3.02E+3n/an/an/an/an/an/an/an/a



Martin-Luther University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Competitive inhibition of equine serum butyrylcholinesterase in presence of varying butyrylthiocholine iodide substrate level preincubated for 20 min...


Eur J Med Chem 125: 430-434 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.051
BindingDB Entry DOI: 10.7270/Q2RJ4MG6
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50210771
PNG
(CHEMBL3941312)
Show SMILES Ic1cccc(NC(=N)NC(=N)N2CCN(CC2)C(=N)NC(=N)Nc2cccc(I)c2)c1
Show InChI InChI=1S/C20H24I2N10/c21-13-3-1-5-15(11-13)27-17(23)29-19(25)31-7-9-32(10-8-31)20(26)30-18(24)28-16-6-2-4-14(22)12-16/h1-6,11-12H,7-10H2,(H4,23,25,27,29)(H4,24,26,28,30)
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3.04E+3n/an/an/an/an/an/an/an/a



Martin-Luther University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Non-competitive inhibition of equine serum butyrylcholinesterase in presence of varying butyrylthiocholine iodide substrate level preincubated for 20...


Eur J Med Chem 125: 430-434 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.051
BindingDB Entry DOI: 10.7270/Q2RJ4MG6
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50182446
PNG
(CHEMBL3818167)
Show SMILES COc1cccc2C\C(=C/C3CCN(Cc4ccccc4)CC3)C(=O)c12
Show InChI InChI=1S/C23H25NO2/c1-26-21-9-5-8-19-15-20(23(25)22(19)21)14-17-10-12-24(13-11-17)16-18-6-3-2-4-7-18/h2-9,14,17H,10-13,15-16H2,1H3/b20-14+
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3.10E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi della Magna Gr£cia Viale Europa

Curated by ChEMBL


Assay Description
Mixed inhibition of horse serum BuChE using butyrylthiocoline iodide as substrate incubated for 20 mins by Lineweaver-Burk plot analysis


ACS Med Chem Lett 7: 470-5 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00483
BindingDB Entry DOI: 10.7270/Q2PN97JV
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50182435
PNG
(CHEMBL3818084)
Show SMILES COc1ccc2C(=O)\C(Cc2c1)=C\C1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C23H25NO2/c1-26-21-7-8-22-19(15-21)14-20(23(22)25)13-17-9-11-24(12-10-17)16-18-5-3-2-4-6-18/h2-8,13,15,17H,9-12,14,16H2,1H3/b20-13+
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3.14E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi della Magna Gr£cia Viale Europa

Curated by ChEMBL


Assay Description
Non-competitive inhibition of horse serum BuChE using butyrylthiocoline iodide as substrate incubated for 20 mins by Lineweaver-Burk plot analysis


ACS Med Chem Lett 7: 470-5 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00483
BindingDB Entry DOI: 10.7270/Q2PN97JV
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50306339
PNG
(4-(2,4-Diisopropylphenyl)-4-oxo-N-phenyl-2-(R,S)-(...)
Show SMILES CC(C)c1ccc(C(=O)CC(N2CCOCC2)C(=O)Nc2ccccc2)c(c1)C(C)C
Show InChI InChI=1S/C26H34N2O3/c1-18(2)20-10-11-22(23(16-20)19(3)4)25(29)17-24(28-12-14-31-15-13-28)26(30)27-21-8-6-5-7-9-21/h5-11,16,18-19,24H,12-15,17H2,1-4H3,(H,27,30)
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3.18E+3n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of horse serum BChE by Lineweaver-Burk plot


Bioorg Med Chem 18: 1181-93 (2010)


Article DOI: 10.1016/j.bmc.2009.12.042
BindingDB Entry DOI: 10.7270/Q2ZW1M1J
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50210776
PNG
(CHEMBL3947927)
Show SMILES FC(F)(F)Oc1ccc(NC(=N)NC(=N)N2CCN(CC2)C(=N)NC(=N)Nc2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C22H24F6N10O2/c23-21(24,25)39-15-5-1-13(2-6-15)33-17(29)35-19(31)37-9-11-38(12-10-37)20(32)36-18(30)34-14-3-7-16(8-4-14)40-22(26,27)28/h1-8H,9-12H2,(H4,29,31,33,35)(H4,30,32,34,36)
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3.34E+3n/an/an/an/an/an/an/an/a



Martin-Luther University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Competitive inhibition of equine serum butyrylcholinesterase in presence of varying butyrylthiocholine iodide substrate level preincubated for 20 min...


Eur J Med Chem 125: 430-434 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.051
BindingDB Entry DOI: 10.7270/Q2RJ4MG6
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50182437
PNG
(CHEMBL3819531)
Show SMILES COc1ccc2C(=O)\C(Cc2c1)=C\C1CCN(Cc2cccc(OC)c2)CC1
Show InChI InChI=1S/C24H27NO3/c1-27-21-5-3-4-18(13-21)16-25-10-8-17(9-11-25)12-20-14-19-15-22(28-2)6-7-23(19)24(20)26/h3-7,12-13,15,17H,8-11,14,16H2,1-2H3/b20-12+
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3.49E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi della Magna Gr£cia Viale Europa

Curated by ChEMBL


Assay Description
Non-competitive inhibition of horse serum BuChE using butyrylthiocoline iodide as substrate incubated for 20 mins by Lineweaver-Burk plot analysis


ACS Med Chem Lett 7: 470-5 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00483
BindingDB Entry DOI: 10.7270/Q2PN97JV
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50210170
PNG
(CHEMBL3894580)
Show SMILES Brc1ccc(NC(=N)NC(=N)N2CCN(CC2)C(=N)NC(=N)Nc2ccc(Br)cc2)cc1
Show InChI InChI=1S/C20H24Br2N10/c21-13-1-5-15(6-2-13)27-17(23)29-19(25)31-9-11-32(12-10-31)20(26)30-18(24)28-16-7-3-14(22)4-8-16/h1-8H,9-12H2,(H4,23,25,27,29)(H4,24,26,28,30)
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3.84E+3n/an/an/an/an/an/an/an/a



Martin-Luther University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Non-competitive inhibition of equine serum butyrylcholinesterase in presence of varying butyrylthiocholine iodide substrate level preincubated for 20...


Eur J Med Chem 125: 430-434 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.051
BindingDB Entry DOI: 10.7270/Q2RJ4MG6
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50182438
PNG
(CHEMBL3819113)
Show SMILES COc1ccc2C\C(=C/C3CCN(Cc4cccc(OC)c4)CC3)C(=O)c2c1
Show InChI InChI=1S/C24H27NO3/c1-27-21-5-3-4-18(13-21)16-25-10-8-17(9-11-25)12-20-14-19-6-7-22(28-2)15-23(19)24(20)26/h3-7,12-13,15,17H,8-11,14,16H2,1-2H3/b20-12+
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3.89E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi della Magna Gr£cia Viale Europa

Curated by ChEMBL


Assay Description
Non-competitive inhibition of horse serum BuChE using butyrylthiocoline iodide as substrate incubated for 20 mins by Lineweaver-Burk plot analysis


ACS Med Chem Lett 7: 470-5 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00483
BindingDB Entry DOI: 10.7270/Q2PN97JV
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50155917
PNG
(CHEMBL3780798)
Show SMILES CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C)C5CCC34C)C2C1)C(=O)OCc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C37H53NO6/c1-32(2)16-18-37(31(41)44-22-23-8-10-24(11-9-23)38(42)43)19-17-35(6)25(26(37)20-32)12-13-29-34(5)21-27(39)30(40)33(3,4)28(34)14-15-36(29,35)7/h8-12,26-30,39-40H,13-22H2,1-7H3/t26-,27+,28-,29+,30-,34-,35+,36+,37-/m0/s1
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>4.00E+3n/an/an/an/an/an/an/an/a



Martin-Luther-Universit£t Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 20mins before the addition of substrate by Ellman's met...


Eur J Med Chem 103: 438-45 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.007
BindingDB Entry DOI: 10.7270/Q2WS8W46
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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4.20E+3n/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
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50182440
PNG
(CHEMBL3819247)
Show SMILES COc1ccc2C\C(=C/C3CCN(Cc4ccc5OCOc5c4)CC3)C(=O)c2c1
Show InChI InChI=1S/C24H25NO4/c1-27-20-4-3-18-12-19(24(26)21(18)13-20)10-16-6-8-25(9-7-16)14-17-2-5-22-23(11-17)29-15-28-22/h2-5,10-11,13,16H,6-9,12,14-15H2,1H3/b19-10+
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4.33E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi della Magna Gr£cia Viale Europa

Curated by ChEMBL


Assay Description
Non-competitive inhibition of horse serum BuChE using butyrylthiocoline iodide as substrate incubated for 20 mins by Lineweaver-Burk plot analysis


ACS Med Chem Lett 7: 470-5 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00483
BindingDB Entry DOI: 10.7270/Q2PN97JV
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50210778
PNG
(CHEMBL3922793)
Show SMILES CC(C)(C)c1ccc(NC(=N)NC(=N)N2CCN(CC2)C(=N)NC(=N)Nc2ccc(cc2)C(C)(C)C)cc1
Show InChI InChI=1S/C28H42N10/c1-27(2,3)19-7-11-21(12-8-19)33-23(29)35-25(31)37-15-17-38(18-16-37)26(32)36-24(30)34-22-13-9-20(10-14-22)28(4,5)6/h7-14H,15-18H2,1-6H3,(H4,29,31,33,35)(H4,30,32,34,36)
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4.41E+3n/an/an/an/an/an/an/an/a



Martin-Luther University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Non-competitive inhibition of equine serum butyrylcholinesterase in presence of varying butyrylthiocholine iodide substrate level preincubated for 20...


Eur J Med Chem 125: 430-434 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.051
BindingDB Entry DOI: 10.7270/Q2RJ4MG6
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50162930
PNG
(CHEMBL3794413)
Show SMILES Oc1ccc(cc1)-c1cc2cccc(Cl)c2o1
Show InChI InChI=1S/C14H9ClO2/c15-12-3-1-2-10-8-13(17-14(10)12)9-4-6-11(16)7-5-9/h1-8,16H
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5.00E+3n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Mixed-type inhibition of equine BChE using S-butyrylthiocholine chloride as substrate assessed as free enzyme by Lineweaver-Burk reciprocal plot meth...


Bioorg Med Chem Lett 26: 2308-13 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.039
BindingDB Entry DOI: 10.7270/Q2ZP481G
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50210777
PNG
(CHEMBL3949522)
Show SMILES COc1ccccc1NC(=N)NC(=N)N1CCN(CC1)C(=N)NC(=N)Nc1ccccc1OC
Show InChI InChI=1S/C22H30N10O2/c1-33-17-9-5-3-7-15(17)27-19(23)29-21(25)31-11-13-32(14-12-31)22(26)30-20(24)28-16-8-4-6-10-18(16)34-2/h3-10H,11-14H2,1-2H3,(H4,23,25,27,29)(H4,24,26,28,30)
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5.20E+3n/an/an/an/an/an/an/an/a



Martin-Luther University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Competitive inhibition of equine serum butyrylcholinesterase in presence of varying butyrylthiocholine iodide substrate level preincubated for 20 min...


Eur J Med Chem 125: 430-434 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.051
BindingDB Entry DOI: 10.7270/Q2RJ4MG6
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50019342
PNG
(CHEMBL3289726)
Show SMILES CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(=O)NCCCN
Show InChI InChI=1S/C33H54N2O3/c1-28(2)24-9-12-33(7)26(31(24,5)11-10-25(28)37)23(36)19-21-22-20-30(4,27(38)35-18-8-17-34)14-13-29(22,3)15-16-32(21,33)6/h19,22,24-26,37H,8-18,20,34H2,1-7H3,(H,35,38)/t22-,24-,25-,26+,29+,30-,31-,32+,33+/m0/s1
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5.43E+3n/an/an/an/an/an/an/an/a



Martin-Luther-Universit£t Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate after 20 mins measured for 1 min interval for 30 mins by Ellman's method


Bioorg Med Chem 22: 3370-8 (2014)


Article DOI: 10.1016/j.bmc.2014.04.046
BindingDB Entry DOI: 10.7270/Q26Q1ZTF
More data for this
Ligand-Target Pair
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