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Compile Data Set for Download or QSAR

Found 4176 hits Enz. Inhib. hit(s) with Target = 'Butyrylcholinesterase'   
Target
(Institution)
LigandTarget
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
Butyrylcholine esterase


(Homo sapiens (human))
BDBM50422514
PNG
(CHEMBL2111586)
Show SMILES Cc1cccc2CO[P@](=O)(OC[C@H]3O[C@H](C[C@@H]3O)n3cc(F)c(=O)[nH]c3=O)Oc12
Show InChI InChI=1S/C17H18FN2O8P/c1-9-3-2-4-10-7-25-29(24,28-15(9)10)26-8-13-12(21)5-14(27-13)20-6-11(18)16(22)19-17(20)23/h2-4,6,12-14,21H,5,7-8H2,1H3,(H,19,22,23)/t12-,13+,14+,29+/m0/s1
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n/an/a>0n/an/an/an/an/an/a



University of Hamburg

Curated by ChEMBL


Assay Description
Inhibitory activity towards human butyrylcholinesterase


Citation and Details
More data for this
Ligand-Target Pair
Butyrylcholinesterase


(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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n/an/a 2.44E-8n/an/an/an/an/an/a



Medical University of Lodz



Assay Description
Enzyme activity using acetylcholinesterase (AChE) and butyrylcholinesterase (BChE).


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Butyrylcholinesterase


(Equus caballus (horse))
BDBM86769
PNG
(Nicotinamide hydrochloride analog, 6b)
Show SMILES NNc1ccc(cn1)C(=O)NCCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C24H30N6O/c25-30-22-13-12-17(16-28-22)24(31)27-15-7-1-6-14-26-23-18-8-2-4-10-20(18)29-21-11-5-3-9-19(21)23/h2,4,8,10,12-13,16H,1,3,5-7,9,11,14-15,25H2,(H,26,29)(H,27,31)(H,28,30)
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n/an/a 6.49E-7n/an/an/an/an/an/a



Medical University of Lodz



Assay Description
Enzyme activity using acetylcholinesterase (AChE) and butyrylcholinesterase (BChE).


Citation and Details
More data for this
Ligand-Target Pair
Butyrylcholinesterase


(Equus caballus (horse))
BDBM86771
PNG
(Nicotinamide hydrochloride analog, 6d)
Show SMILES NNc1ccc(cc1)C(=O)NCCCCCCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C29H39N5O/c30-34-23-18-16-22(17-19-23)29(35)32-21-11-5-3-1-2-4-10-20-31-28-24-12-6-8-14-26(24)33-27-15-9-7-13-25(27)28/h6,8,12,14,16-19,34H,1-5,7,9-11,13,15,20-21,30H2,(H,31,33)(H,32,35)
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n/an/a 8.11E-7n/an/an/an/an/an/a



Medical University of Lodz



Assay Description
Enzyme activity using acetylcholinesterase (AChE) and butyrylcholinesterase (BChE).


Citation and Details
More data for this
Ligand-Target Pair
Butyrylcholinesterase


(Equus caballus (horse))
BDBM86770
PNG
(Nicotinamide hydrochloride analog, 6c)
Show SMILES NNc1ccc(cn1)C(=O)NCCCCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C26H34N6O/c27-32-24-15-14-19(18-30-24)26(33)29-17-9-3-1-2-8-16-28-25-20-10-4-6-12-22(20)31-23-13-7-5-11-21(23)25/h4,6,10,12,14-15,18H,1-3,5,7-9,11,13,16-17,27H2,(H,28,31)(H,29,33)(H,30,32)
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n/an/a 0.00000113n/an/an/an/an/an/a



Medical University of Lodz



Assay Description
Enzyme activity using acetylcholinesterase (AChE) and butyrylcholinesterase (BChE).


Citation and Details
More data for this
Ligand-Target Pair
Butyrylcholinesterase


(Equus caballus (horse))
BDBM86768
PNG
(Nicotinamide hydrochloride analog, 6a)
Show SMILES NNc1ccc(cn1)C(=O)NCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C23H28N6O/c24-29-21-12-11-16(15-27-21)23(30)26-14-6-5-13-25-22-17-7-1-3-9-19(17)28-20-10-4-2-8-18(20)22/h1,3,7,9,11-12,15H,2,4-6,8,10,13-14,24H2,(H,25,28)(H,26,30)(H,27,29)
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n/an/a 0.00000145n/an/an/an/an/an/a



Medical University of Lodz



Assay Description
Enzyme activity using acetylcholinesterase (AChE) and butyrylcholinesterase (BChE).


Citation and Details
More data for this
Ligand-Target Pair
Butyrylcholine esterase


(Homo sapiens (human))
BDBM50218525
PNG
(6,7-dimethoxy-3-(4-{[(4-methoxybenzyl)methylamino]...)
Show SMILES COc1ccc(CN(C)Cc2ccc(cc2)-c2cc3cc(OC)c(OC)cc3oc2=O)cc1
Show InChI InChI=1S/C27H27NO5/c1-28(17-19-7-11-22(30-2)12-8-19)16-18-5-9-20(10-6-18)23-13-21-14-25(31-3)26(32-4)15-24(21)33-27(23)29/h5-15H,16-17H2,1-4H3
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n/an/a>0.0000100n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BChE


Citation and Details
More data for this
Ligand-Target Pair
Butyrylcholine esterase


(Homo sapiens (human))
BDBM50218504
PNG
(3-{3-[(benzylmethylamino)methyl]phenyl}-6,7-dimeth...)
Show SMILES COc1cc2occ(-c3cccc(CN(C)Cc4ccccc4)c3)c(=O)c2cc1OC
Show InChI InChI=1S/C26H25NO4/c1-27(15-18-8-5-4-6-9-18)16-19-10-7-11-20(12-19)22-17-31-23-14-25(30-3)24(29-2)13-21(23)26(22)28/h4-14,17H,15-16H2,1-3H3
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n/an/a>0.0000100n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BChE


Citation and Details
More data for this
Ligand-Target Pair
Butyrylcholine esterase


(Homo sapiens (human))
BDBM50218507
PNG
(6,7-dimethoxy-3-(4-{[(3-nitrobenzyl)methylamino]me...)
Show SMILES COc1cc2cc(-c3ccc(CN(C)Cc4cccc(c4)[N+]([O-])=O)cc3)c(=O)oc2cc1OC
Show InChI InChI=1S/C26H24N2O6/c1-27(16-18-5-4-6-21(11-18)28(30)31)15-17-7-9-19(10-8-17)22-12-20-13-24(32-2)25(33-3)14-23(20)34-26(22)29/h4-14H,15-16H2,1-3H3
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n/an/a>0.0000100n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BChE


Citation and Details
More data for this
Ligand-Target Pair
Butyrylcholine esterase


(Homo sapiens (human))
BDBM50218508
PNG
(6,7-dimethoxy-3-(4-{[(3-methoxybenzyl)methylamino]...)
Show SMILES COc1cccc(CN(C)Cc2ccc(cc2)-c2cc3cc(OC)c(OC)cc3oc2=O)c1
Show InChI InChI=1S/C27H27NO5/c1-28(17-19-6-5-7-22(12-19)30-2)16-18-8-10-20(11-9-18)23-13-21-14-25(31-3)26(32-4)15-24(21)33-27(23)29/h5-15H,16-17H2,1-4H3
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n/an/a>0.0000100n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BChE


Citation and Details
More data for this
Ligand-Target Pair
Butyrylcholine esterase


(Homo sapiens (human))
BDBM50218522
PNG
(6-amino-3-{4-[(benzylmethylamino)methyl]phenyl}-ch...)
Show SMILES CN(Cc1ccccc1)Cc1ccc(cc1)-c1cc2cc(N)ccc2oc1=O
Show InChI InChI=1S/C24H22N2O2/c1-26(15-17-5-3-2-4-6-17)16-18-7-9-19(10-8-18)22-14-20-13-21(25)11-12-23(20)28-24(22)27/h2-14H,15-16,25H2,1H3
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n/an/a>0.0000100n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BChE


Citation and Details
More data for this
Ligand-Target Pair
Butyrylcholine esterase


(Homo sapiens (human))
BDBM50218509
PNG
(2-{3-[(benzylmethylamino)methyl]phenyl}-6,7-dimeth...)
Show SMILES COc1cc2oc(cc(=O)c2cc1OC)-c1cccc(CN(C)Cc2ccccc2)c1
Show InChI InChI=1S/C26H25NO4/c1-27(16-18-8-5-4-6-9-18)17-19-10-7-11-20(12-19)23-14-22(28)21-13-25(29-2)26(30-3)15-24(21)31-23/h4-15H,16-17H2,1-3H3
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n/an/a>0.0000100n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BChE


Citation and Details
More data for this
Ligand-Target Pair
Butyrylcholine esterase


(Homo sapiens (human))
BDBM50218529
PNG
(6,7-dimethoxy-3-(4-{[(4-methylbenzyl)methylamino]m...)
Show SMILES COc1cc2cc(-c3ccc(CN(C)Cc4ccc(C)cc4)cc3)c(=O)oc2cc1OC
Show InChI InChI=1S/C27H27NO4/c1-18-5-7-19(8-6-18)16-28(2)17-20-9-11-21(12-10-20)23-13-22-14-25(30-3)26(31-4)15-24(22)32-27(23)29/h5-15H,16-17H2,1-4H3
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n/an/a>0.0000100n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BChE


Citation and Details
More data for this
Ligand-Target Pair
Butyrylcholine esterase


(Homo sapiens (human))
BDBM50218511
PNG
(6,7-dimethoxy-3-(4-{[(4-nitrobenzyl)methylamino]me...)
Show SMILES COc1cc2cc(-c3ccc(CN(C)Cc4ccc(cc4)[N+]([O-])=O)cc3)c(=O)oc2cc1OC
Show InChI InChI=1S/C26H24N2O6/c1-27(16-18-6-10-21(11-7-18)28(30)31)15-17-4-8-19(9-5-17)22-12-20-13-24(32-2)25(33-3)14-23(20)34-26(22)29/h4-14H,15-16H2,1-3H3
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n/an/a>0.0000100n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BChE


Citation and Details
More data for this
Ligand-Target Pair
Butyrylcholine esterase


(Homo sapiens (human))
BDBM50218524
PNG
(6-[(benzylmethylamino)methyl]-2,3-dimethoxyxanthen...)
Show SMILES COc1cc2oc3cc(CN(C)Cc4ccccc4)ccc3c(=O)c2cc1OC
Show InChI InChI=1S/C24H23NO4/c1-25(14-16-7-5-4-6-8-16)15-17-9-10-18-20(11-17)29-21-13-23(28-3)22(27-2)12-19(21)24(18)26/h4-13H,14-15H2,1-3H3
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n/an/a>0.0000100n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BChE


Citation and Details
More data for this
Ligand-Target Pair
Butyrylcholine esterase


(Homo sapiens (human))
BDBM50218526
PNG
(6,7-dimethoxy-3-(4-{[(3-methylbenzyl)methylamino]m...)
Show SMILES COc1cc2cc(-c3ccc(CN(C)Cc4cccc(C)c4)cc3)c(=O)oc2cc1OC
Show InChI InChI=1S/C27H27NO4/c1-18-6-5-7-20(12-18)17-28(2)16-19-8-10-21(11-9-19)23-13-22-14-25(30-3)26(31-4)15-24(22)32-27(23)29/h5-15H,16-17H2,1-4H3
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n/an/a>0.0000100n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BChE


Citation and Details
More data for this
Ligand-Target Pair
Butyrylcholine esterase


(Homo sapiens (human))
BDBM50218516
PNG
(6,7-dimethoxy-3-(4-{[(2-methylbenzyl)methylamino]m...)
Show SMILES COc1cc2cc(-c3ccc(CN(C)Cc4ccccc4C)cc3)c(=O)oc2cc1OC
Show InChI InChI=1S/C27H27NO4/c1-18-7-5-6-8-21(18)17-28(2)16-19-9-11-20(12-10-19)23-13-22-14-25(30-3)26(31-4)15-24(22)32-27(23)29/h5-15H,16-17H2,1-4H3
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n/an/a>0.0000100n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BChE


Citation and Details
More data for this
Ligand-Target Pair
Butyrylcholine esterase


(Homo sapiens (human))
BDBM50218523
PNG
(2-{4-[(benzylmethylamino)methyl]phenyl}-6,7-dimeth...)
Show SMILES COc1cc2oc(cc(=O)c2cc1OC)-c1ccc(CN(C)Cc2ccccc2)cc1
Show InChI InChI=1S/C26H25NO4/c1-27(16-18-7-5-4-6-8-18)17-19-9-11-20(12-10-19)23-14-22(28)21-13-25(29-2)26(30-3)15-24(21)31-23/h4-15H,16-17H2,1-3H3
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n/an/a>0.0000100n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BChE


Citation and Details
More data for this
Ligand-Target Pair
Butyrylcholine esterase


(Homo sapiens (human))
BDBM50218503
PNG
(3-{3-[(benzylmethylamino)methyl]phenyl}-7-methoxyc...)
Show SMILES COc1ccc2cc(-c3cccc(CN(C)Cc4ccccc4)c3)c(=O)oc2c1
Show InChI InChI=1S/C25H23NO3/c1-26(16-18-7-4-3-5-8-18)17-19-9-6-10-20(13-19)23-14-21-11-12-22(28-2)15-24(21)29-25(23)27/h3-15H,16-17H2,1-2H3
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n/an/a>0.0000100n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BChE


Citation and Details
More data for this
Ligand-Target Pair
Butyrylcholine esterase


(Homo sapiens (human))
BDBM50218514
PNG
(2-{4-[(benzylmethylamino)methyl]phenyl}-7-methoxyc...)
Show SMILES COc1ccc2c(c1)oc(cc2=O)-c1ccc(CN(C)Cc2ccccc2)cc1
Show InChI InChI=1S/C25H23NO3/c1-26(16-18-6-4-3-5-7-18)17-19-8-10-20(11-9-19)24-15-23(27)22-13-12-21(28-2)14-25(22)29-24/h3-15H,16-17H2,1-2H3
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n/an/a>0.0000100n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BChE


Citation and Details
More data for this
Ligand-Target Pair
Butyrylcholine esterase


(Homo sapiens (human))
BDBM50218510
PNG
(3-{4-[(benzylmethylamino)methyl]phenyl}-6-nitrochr...)
Show SMILES CN(Cc1ccccc1)Cc1ccc(cc1)-c1cc2cc(ccc2oc1=O)[N+]([O-])=O
Show InChI InChI=1S/C24H20N2O4/c1-25(15-17-5-3-2-4-6-17)16-18-7-9-19(10-8-18)22-14-20-13-21(26(28)29)11-12-23(20)30-24(22)27/h2-14H,15-16H2,1H3
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n/an/a>0.0000100n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BChE


Citation and Details
More data for this
Ligand-Target Pair
Butyrylcholine esterase


(Homo sapiens (human))
BDBM50218521
PNG
(3-{3-[(benzylethylamino)-methyl]-phenyl}-6,7-dimet...)
Show SMILES CCN(Cc1ccccc1)Cc1cccc(c1)-c1coc2cc(OC)c(OC)cc2c1=O
Show InChI InChI=1S/C27H27NO4/c1-4-28(16-19-9-6-5-7-10-19)17-20-11-8-12-21(13-20)23-18-32-24-15-26(31-3)25(30-2)14-22(24)27(23)29/h5-15,18H,4,16-17H2,1-3H3
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n/an/a>0.0000100n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BChE


Citation and Details
More data for this
Ligand-Target Pair
Butyrylcholine esterase


(Homo sapiens (human))
BDBM50218506
PNG
(3-{4-[(benzylmethylamino)methyl]phenyl}-6,7-dimeth...)
Show SMILES COc1cc2occ(-c3ccc(CN(C)Cc4ccccc4)cc3)c(=O)c2cc1OC
Show InChI InChI=1S/C26H25NO4/c1-27(15-18-7-5-4-6-8-18)16-19-9-11-20(12-10-19)22-17-31-23-14-25(30-3)24(29-2)13-21(23)26(22)28/h4-14,17H,15-16H2,1-3H3
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n/an/a>0.0000100n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BChE


Citation and Details
More data for this
Ligand-Target Pair
Butyrylcholine esterase


(Homo sapiens (human))
BDBM50218519
PNG
(6,7-dimethoxy-3-(4-{[(2-nitrobenzyl)methylamino]me...)
Show SMILES COc1cc2cc(-c3ccc(CN(C)Cc4ccccc4[N+]([O-])=O)cc3)c(=O)oc2cc1OC
Show InChI InChI=1S/C26H24N2O6/c1-27(16-19-6-4-5-7-22(19)28(30)31)15-17-8-10-18(11-9-17)21-12-20-13-24(32-2)25(33-3)14-23(20)34-26(21)29/h4-14H,15-16H2,1-3H3
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n/an/a>0.0000100n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BChE


Citation and Details
More data for this
Ligand-Target Pair
Butyrylcholine esterase


(Homo sapiens (human))
BDBM50349922
PNG
(CHEMBL1814730)
Show SMILES Fc1ccc(cc1)C(=O)NCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C23H24FN3O/c24-17-12-10-16(11-13-17)23(28)26-15-5-14-25-22-18-6-1-3-8-20(18)27-21-9-4-2-7-19(21)22/h1,3,6,8,10-13H,2,4-5,7,9,14-15H2,(H,25,27)(H,26,28)
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n/an/a 0.0212n/an/an/an/an/an/a



Medical University

Curated by ChEMBL


Assay Description
Inhibition of BChE by Ellman's method


Citation and Details
More data for this
Ligand-Target Pair
Butyrylcholine esterase


(Homo sapiens (human))
BDBM8961
PNG
(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)
Show SMILES Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)
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n/an/a 0.0267n/an/an/an/an/an/a



Medical University

Curated by ChEMBL


Assay Description
Inhibition of BChE by Ellman's method


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Butyrylcholine esterase


(Homo sapiens (human))
BDBM9027
PNG
(3-(1H-indol-3-yl)-N-(3-{methyl[3-(1,2,3,4-tetrahyd...)
Show SMILES CN(CCCNC(=O)CCc1c[nH]c2ccccc12)CCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C31H39N5O/c1-36(20-8-18-32-30(37)17-16-23-22-34-27-13-5-2-10-24(23)27)21-9-19-33-31-25-11-3-6-14-28(25)35-29-15-7-4-12-26(29)31/h2-3,5-6,10-11,13-14,22,34H,4,7-9,12,15-21H2,1H3,(H,32,37)(H,33,35)
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n/an/a 0.0300n/an/an/an/a8.030



Neuropharma



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 405 nm were recorded for 5 min with ...


Citation and Details
More data for this
Ligand-Target Pair
Butyrylcholine esterase


(Homo sapiens (human))
BDBM50349923
PNG
(CHEMBL1814731)
Show SMILES Fc1ccc(cc1)C(=O)NCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C24H26FN3O/c25-18-13-11-17(12-14-18)24(29)27-16-6-5-15-26-23-19-7-1-3-9-21(19)28-22-10-4-2-8-20(22)23/h1,3,7,9,11-14H,2,4-6,8,10,15-16H2,(H,26,28)(H,27,29)
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n/an/a 0.0354n/an/an/an/an/an/a



Medical University

Curated by ChEMBL


Assay Description
Inhibition of BChE by Ellman's method


Citation and Details
More data for this
Ligand-Target Pair
Butyrylcholine esterase


(Homo sapiens (human))
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)
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n/an/a 0.0400n/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Butyrylcholine esterase


(Homo sapiens (human))
BDBM50349921
PNG
(CHEMBL1814729)
Show SMILES Fc1ccc(cc1)C(=O)NCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C22H22FN3O/c23-16-11-9-15(10-12-16)22(27)25-14-13-24-21-17-5-1-3-7-19(17)26-20-8-4-2-6-18(20)21/h1,3,5,7,9-12H,2,4,6,8,13-14H2,(H,24,26)(H,25,27)
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n/an/a 0.0449n/an/an/an/an/an/a



Medical University

Curated by ChEMBL


Assay Description
Inhibition of BChE by Ellman's method


Citation and Details
More data for this
Ligand-Target Pair
Butyrylcholine esterase


(Homo sapiens (human))
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)
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n/an/a 0.0800n/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Butyrylcholine esterase


(Homo sapiens (human))
BDBM9023
PNG
(CHEMBL225198 | Indole-Tacrine Heterodimer 6 | N-[7...)
Show SMILES Clc1ccc2c(NCCCCCCCNC(=O)CCc3c[nH]c4ccccc34)c3CCCCc3nc2c1
Show InChI InChI=1S/C31H37ClN4O/c32-23-15-16-26-29(20-23)36-28-13-7-5-11-25(28)31(26)34-19-9-3-1-2-8-18-33-30(37)17-14-22-21-35-27-12-6-4-10-24(22)27/h4,6,10,12,15-16,20-21,35H,1-3,5,7-9,11,13-14,17-19H2,(H,33,37)(H,34,36)
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n/an/a 0.100n/an/an/an/a8.030



Neuropharma



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 405 nm were recorded for 5 min with ...


Citation and Details
More data for this
Ligand-Target Pair
Butyrylcholine esterase


(Homo sapiens (human))
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)
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n/an/a 0.100n/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Butyrylcholine esterase


(Homo sapiens (human))
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)
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n/an/a 0.100n/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Butyrylcholine esterase


(Homo sapiens (human))
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)
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n/an/a 0.100n/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Butyrylcholine esterase


(Homo sapiens (human))
BDBM13549
PNG
(3-(3,4,5-Trimethoxyphenyl)-N-(5-oxo-5-(2-(1,2,3,4-...)
Show SMILES COc1cc(CCC(=O)NCCCCC(=O)NNc2c3CCCCc3nc3ccccc23)cc(OC)c1OC
Show InChI InChI=1S/C30H38N4O5/c1-37-25-18-20(19-26(38-2)30(25)39-3)15-16-27(35)31-17-9-8-14-28(36)33-34-29-21-10-4-6-12-23(21)32-24-13-7-5-11-22(24)29/h4,6,10,12,18-19H,5,7-9,11,13-17H2,1-3H3,(H,31,35)(H,32,34)(H,33,36)
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n/an/a 0.139n/an/an/an/a7.325



Rheinische Friedrich-Wilhelms-Universitat Bonn



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changed at 412 nm and was monitored with spectr...


Citation and Details
More data for this
Ligand-Target Pair
Butyrylcholine esterase


(Homo sapiens (human))
BDBM13550
PNG
(3-(3,4,5-Trimethoxyphenyl)-N-(6-oxo-6-(2-(1,2,3,4-...)
Show SMILES COc1cc(CCC(=O)NCCCCCC(=O)NNc2c3CCCCc3nc3ccccc23)cc(OC)c1OC
Show InChI InChI=1S/C31H40N4O5/c1-38-26-19-21(20-27(39-2)31(26)40-3)16-17-28(36)32-18-10-4-5-15-29(37)34-35-30-22-11-6-8-13-24(22)33-25-14-9-7-12-23(25)30/h6,8,11,13,19-20H,4-5,7,9-10,12,14-18H2,1-3H3,(H,32,36)(H,33,35)(H,34,37)
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n/an/a 0.141n/an/an/an/a7.325



Rheinische Friedrich-Wilhelms-Universitat Bonn



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changed at 412 nm and was monitored with spectr...


Citation and Details
More data for this
Ligand-Target Pair
Butyrylcholine esterase


(Homo sapiens (human))
BDBM50303940
PNG
(2-(Benzylaminocarbonyloxy-)5-O-Salicyloyl-1,4:3,6-...)
Show SMILES Oc1ccccc1C(=O)O[C@@H]1CO[C@@H]2[C@H](CO[C@H]12)OC(=O)NCc1ccccc1
Show InChI InChI=1S/C21H21NO7/c23-15-9-5-4-8-14(15)20(24)28-16-11-26-19-17(12-27-18(16)19)29-21(25)22-10-13-6-2-1-3-7-13/h1-9,16-19,23H,10-12H2,(H,22,25)/t16-,17+,18-,19-/m1/s1
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n/an/a 0.150n/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Inhibition of BuChE in human liver microsomes


Citation and Details
More data for this
Ligand-Target Pair
Butyrylcholine esterase


(Homo sapiens (human))
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)
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n/an/a 0.150n/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Butyrylcholine esterase


(Homo sapiens (human))
BDBM13548
PNG
(3-(3,4,5-Trimethoxyphenyl)-N-(4-oxo-4-(2-(1,2,3,4-...)
Show SMILES COc1cc(CCC(=O)NCCCC(=O)NNc2c3CCCCc3nc3ccccc23)cc(OC)c1OC
Show InChI InChI=1S/C29H36N4O5/c1-36-24-17-19(18-25(37-2)29(24)38-3)14-15-26(34)30-16-8-13-27(35)32-33-28-20-9-4-6-11-22(20)31-23-12-7-5-10-21(23)28/h4,6,9,11,17-18H,5,7-8,10,12-16H2,1-3H3,(H,30,34)(H,31,33)(H,32,35)
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n/an/a 0.226n/an/an/an/a7.325



Rheinische Friedrich-Wilhelms-Universitat Bonn



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changed at 412 nm and was monitored with spectr...


Citation and Details
More data for this
Ligand-Target Pair
Butyrylcholine esterase


(Homo sapiens (human))
BDBM132084
PNG
(US8841453, 15)
Show SMILES CC(=O)NCCc1c[nH]c2ccc(OC(=O)NCCCCCCCCCCCCNc3c4CCCCc4nc4ccccc34)cc12
Show InChI InChI=1S/C38H51N5O3/c1-28(44)39-25-22-29-27-42-34-21-20-30(26-33(29)34)46-38(45)41-24-15-9-7-5-3-2-4-6-8-14-23-40-37-31-16-10-12-18-35(31)43-36-19-13-11-17-32(36)37/h10,12,16,18,20-21,26-27,42H,2-9,11,13-15,17,19,22-25H2,1H3,(H,39,44)(H,40,43)(H,41,45)
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n/an/a 0.240n/an/an/an/an/an/a



Uniwersytet Warszawski; Centrum Medyczne Ksztalcenia Podyplomowego

US Patent


Assay Description
The biological activity of the compounds of general formula (I) towards the cholinesterase inhibition was evaluated using Ellman's method (Ellman, G....


US Patent US8841453 (2014)

More data for this
Ligand-Target Pair
Butyrylcholine esterase


(Homo sapiens (human))
BDBM132080
PNG
(US8841453, 11)
Show SMILES CC(=O)NCCc1c[nH]c2ccc(OC(=O)NCCCCCCCCNc3c4CCCCc4nc4ccccc34)cc12
Show InChI InChI=1S/C34H43N5O3/c1-24(40)35-21-18-25-23-38-30-17-16-26(22-29(25)30)42-34(41)37-20-11-5-3-2-4-10-19-36-33-27-12-6-8-14-31(27)39-32-15-9-7-13-28(32)33/h6,8,12,14,16-17,22-23,38H,2-5,7,9-11,13,15,18-21H2,1H3,(H,35,40)(H,36,39)(H,37,41)
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US Patent
n/an/a 0.25n/an/an/an/an/an/a



Uniwersytet Warszawski; Centrum Medyczne Ksztalcenia Podyplomowego

US Patent


Assay Description
The biological activity of the compounds of general formula (I) towards the cholinesterase inhibition was evaluated using Ellman's method (Ellman, G....


US Patent US8841453 (2014)

More data for this
Ligand-Target Pair
Butyrylcholine esterase


(Homo sapiens (human))
BDBM132071
PNG
(US8841453, 1)
Show SMILES CC(=O)NCCc1c[nH]c2ccc(OC(=O)NCCCCCCCNc3c4CCCCc4nc4ccccc34)cc12
Show InChI InChI=1S/C33H41N5O3/c1-23(39)34-20-17-24-22-37-29-16-15-25(21-28(24)29)41-33(40)36-19-10-4-2-3-9-18-35-32-26-11-5-7-13-30(26)38-31-14-8-6-12-27(31)32/h5,7,11,13,15-16,21-22,37H,2-4,6,8-10,12,14,17-20H2,1H3,(H,34,39)(H,35,38)(H,36,40)
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US Patent
n/an/a 0.25n/an/an/an/an/an/a



Uniwersytet Warszawski; Centrum Medyczne Ksztalcenia Podyplomowego

US Patent


Assay Description
The biological activity of the compounds of general formula (I) towards the cholinesterase inhibition was evaluated using Ellman's method (Ellman, G....


US Patent US8841453 (2014)

More data for this
Ligand-Target Pair
Butyrylcholine esterase


(Homo sapiens (human))
BDBM132083
PNG
(US8841453, 14)
Show SMILES CC(=O)NCCc1c[nH]c2ccc(OC(=O)NCCCCCCCCCCNc3c4CCCCc4nc4ccccc34)cc12
Show InChI InChI=1S/C36H47N5O3/c1-26(42)37-23-20-27-25-40-32-19-18-28(24-31(27)32)44-36(43)39-22-13-7-5-3-2-4-6-12-21-38-35-29-14-8-10-16-33(29)41-34-17-11-9-15-30(34)35/h8,10,14,16,18-19,24-25,40H,2-7,9,11-13,15,17,20-23H2,1H3,(H,37,42)(H,38,41)(H,39,43)
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US Patent
n/an/a 0.280n/an/an/an/an/an/a



Uniwersytet Warszawski; Centrum Medyczne Ksztalcenia Podyplomowego

US Patent


Assay Description
The biological activity of the compounds of general formula (I) towards the cholinesterase inhibition was evaluated using Ellman's method (Ellman, G....


US Patent US8841453 (2014)

More data for this
Ligand-Target Pair
Butyrylcholine esterase


(Homo sapiens (human))
BDBM13543
PNG
(3,4,5-Trimethoxy-N-(8-oxo-8-(2-(1,2,3,4-tetrahydro...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)NCCCCCCCC(=O)NNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C31H40N4O5/c1-38-26-19-21(20-27(39-2)30(26)40-3)31(37)32-18-12-6-4-5-7-17-28(36)34-35-29-22-13-8-10-15-24(22)33-25-16-11-9-14-23(25)29/h8,10,13,15,19-20H,4-7,9,11-12,14,16-18H2,1-3H3,(H,32,37)(H,33,35)(H,34,36)
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Article
PubMed
n/an/a 0.293n/an/an/an/a7.325



Rheinische Friedrich-Wilhelms-Universitat Bonn



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changed at 412 nm and was monitored with spectr...


Citation and Details
More data for this
Ligand-Target Pair
Butyrylcholine esterase


(Homo sapiens (human))
BDBM10404
PNG
((1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetrac...)
Show SMILES COc1ccc2CN(C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24
Show InChI InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-/m0/s1
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n/an/a 0.380n/an/an/an/an/an/a



University of Monastir

Curated by ChEMBL


Assay Description
Inhibition of BchE in human plasma incubated for 30 mins using butyrylthiocholine substrate at 37 degC by DTNB dye based spectrophotometry


Citation and Details
More data for this
Ligand-Target Pair
Butyrylcholine esterase


(Homo sapiens (human))
BDBM132074
PNG
(US8841453, 4)
Show SMILES CC(=O)NCCc1c[nH]c2ccc(OC(=O)NCCCCCCCNc3c4CCCCc4nc4cc(Cl)ccc34)cc12
Show InChI InChI=1S/C33H40ClN5O3/c1-22(40)35-18-15-23-21-38-29-14-12-25(20-28(23)29)42-33(41)37-17-8-4-2-3-7-16-36-32-26-9-5-6-10-30(26)39-31-19-24(34)11-13-27(31)32/h11-14,19-21,38H,2-10,15-18H2,1H3,(H,35,40)(H,36,39)(H,37,41)
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US Patent
n/an/a 0.380n/an/an/an/an/an/a



Uniwersytet Warszawski; Centrum Medyczne Ksztalcenia Podyplomowego

US Patent


Assay Description
The biological activity of the compounds of general formula (I) towards the cholinesterase inhibition was evaluated using Ellman's method (Ellman, G....


US Patent US8841453 (2014)

More data for this
Ligand-Target Pair
Butyrylcholine esterase


(Homo sapiens (human))
BDBM50138463
PNG
(CHEMBL3753957)
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n/an/a 0.480n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Butyrylcholine esterase


(Homo sapiens (human))
BDBM50138438
PNG
(CHEMBL3752969)
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n/an/a 0.490n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Butyrylcholine esterase


(Homo sapiens (human))
BDBM50326777
PNG
((2beta,3beta,5beta,22R)-2,3,14,20,22,25-hexahydrox...)
Show SMILES CC(C)(O)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C27H44O7/c1-23(2,32)9-8-22(31)26(5,33)21-7-11-27(34)16-12-18(28)17-13-19(29)20(30)14-24(17,3)15(16)6-10-25(21,27)4/h12,15,17,19-22,29-34H,6-11,13-14H2,1-5H3/t15-,17-,19+,20-,21-,22+,24+,25+,26+,27+/m0/s1
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n/an/a 0.506n/an/an/an/an/an/a



University of Monastir

Curated by ChEMBL


Assay Description
Inhibition of BchE in human plasma incubated for 30 mins using butyrylthiocholine substrate at 37 degC by DTNB dye based spectrophotometry


Citation and Details
More data for this
Ligand-Target Pair
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