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Found 882 hits Enz. Inhib. hit(s) with Target = 'Butyrylcholinesterase' AND taxid = 9796   
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
Butyrylcholinesterase


(Equus caballus (horse))
BDBM8977
PNG
(CHEMBL175949 | N-[3-(1,2,3,4-Tetrahydroacridin-9-y...)
Show SMILES CC(=O)N(CCCCSc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C35H42N4OS/c1-25(40)39(23-12-21-36-34-26-13-2-6-17-30(26)37-31-18-7-3-14-27(31)34)22-10-11-24-41-35-28-15-4-8-19-32(28)38-33-20-9-5-16-29(33)35/h2,4,6,8,13,15,17,19H,3,5,7,9-12,14,16,18,20-24H2,1H3,(H,36,37)
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0.110 -56.8n/an/an/an/an/a8.025



Universita di Siena



Assay Description
Inhibition of enzyme activity was measured over a substrate concentration range of 0.01-30 mM and at least six inhibitor concentrations to determine ...


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


(Equus caballus (horse))
BDBM8975
PNG
(CHEMBL179192 | N-[3-(1,2,3,4-Tetrahydroacridin-9-y...)
Show SMILES CC(=O)N(CCCNc1c2CCCCc2nc2ccccc12)CCCSc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C34H40N4OS/c1-24(39)38(21-10-20-35-33-25-12-2-6-16-29(25)36-30-17-7-3-13-26(30)33)22-11-23-40-34-27-14-4-8-18-31(27)37-32-19-9-5-15-28(32)34/h2,4,6,8,12,14,16,18H,3,5,7,9-11,13,15,17,19-23H2,1H3,(H,35,36)
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0.230 -55.0n/an/an/an/an/a8.025



Universita di Siena



Assay Description
Inhibition of enzyme activity was measured over a substrate concentration range of 0.01-30 mM and at least six inhibitor concentrations to determine ...


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


(Equus caballus (horse))
BDBM8971
PNG
(CHEMBL129108 | N-[8-(1,2,3,4-tetrahydroacridin-9-y...)
Show SMILES C(CCCCSc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C34H41N3S/c1(3-13-23-35-33-25-15-5-9-19-29(25)36-30-20-10-6-16-26(30)33)2-4-14-24-38-34-27-17-7-11-21-31(27)37-32-22-12-8-18-28(32)34/h5,7,9,11,15,17,19,21H,1-4,6,8,10,12-14,16,18,20,22-24H2,(H,35,36)
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0.400 -53.6n/an/an/an/an/a8.025



Universita di Siena



Assay Description
Inhibition of enzyme activity was measured over a substrate concentration range of 0.01-30 mM and at least six inhibitor concentrations to determine ...


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


(Equus caballus (horse))
BDBM8976
PNG
(CHEMBL175555 | N-Methyl-N-(1,2,3,4-tetrahydroacrid...)
Show SMILES CN(CCCCSc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C34H42N4S/c1-38(23-12-21-35-33-25-13-2-6-17-29(25)36-30-18-7-3-14-26(30)33)22-10-11-24-39-34-27-15-4-8-19-31(27)37-32-20-9-5-16-28(32)34/h2,4,6,8,13,15,17,19H,3,5,7,9-12,14,16,18,20-24H2,1H3,(H,35,36)
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0.680 -52.3n/an/an/an/an/a8.025



Universita di Siena



Assay Description
Inhibition of enzyme activity was measured over a substrate concentration range of 0.01-30 mM and at least six inhibitor concentrations to determine ...


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


(Equus caballus (horse))
BDBM8967
PNG
(N,N-Bis[3-[(1,2,3,4-tetrahydroacridin-9-yl)amino]p...)
Show SMILES C=CCN(CCCNc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C35H43N5/c1-2-23-40(24-11-21-36-34-26-13-3-7-17-30(26)38-31-18-8-4-14-27(31)34)25-12-22-37-35-28-15-5-9-19-32(28)39-33-20-10-6-16-29(33)35/h2-3,5,7,9,13,15,17,19H,1,4,6,8,10-12,14,16,18,20-25H2,(H,36,38)(H,37,39)
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0.760 -52.0n/an/an/an/an/a8.025



Universita di Siena



Assay Description
Inhibition of enzyme activity was measured over a substrate concentration range of 0.01-30 mM and at least six inhibitor concentrations to determine ...


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


(Equus caballus (horse))
BDBM8966
PNG
(N,N-Bis[3-[(1,2,3,4-tetrahydroacridin-9-yl)amino]p...)
Show SMILES CCN(CCCNc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C34H43N5/c1-2-39(23-11-21-35-33-25-13-3-7-17-29(25)37-30-18-8-4-14-26(30)33)24-12-22-36-34-27-15-5-9-19-31(27)38-32-20-10-6-16-28(32)34/h3,5,7,9,13,15,17,19H,2,4,6,8,10-12,14,16,18,20-24H2,1H3,(H,35,37)(H,36,38)
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0.940 -51.5n/an/an/an/an/a8.025



Universita di Siena



Assay Description
Inhibition of enzyme activity was measured over a substrate concentration range of 0.01-30 mM and at least six inhibitor concentrations to determine ...


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


(Equus caballus (horse))
BDBM50450709
PNG
(CHEMBL3084810)
Show SMILES CCCCNC(=O)OC1C2CC3CC(C2)CC1C3
Show InChI InChI=1S/C15H25NO2/c1-2-3-4-16-15(17)18-14-12-6-10-5-11(8-12)9-13(14)7-10/h10-14H,2-9H2,1H3,(H,16,17)
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1.80n/an/an/an/an/an/an/an/a



National Chung-Hsing University

Curated by ChEMBL


Assay Description
Tested for kinetic data for the horse serum Butyrylcholinesterase-Catalyzed Hydrolysis of Butyrylthiocholine; 10e-3/M. sec


Bioorg Med Chem Lett 8: 2747-50 (1999)

More data for this
Ligand-Target Pair
Butyrylcholinesterase


(Equus caballus (horse))
BDBM50072039
PNG
(Butyl-carbamic acid adamantan-1-yl ester | CHEMBL9...)
Show SMILES CCCCNC(=O)OC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C15H25NO2/c1-2-3-4-16-14(17)18-15-8-11-5-12(9-15)7-13(6-11)10-15/h11-13H,2-10H2,1H3,(H,16,17)
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1.90n/an/an/an/an/an/an/an/a



National Chung-Hsing University

Curated by ChEMBL


Assay Description
Compound was evaluated for irreversible inhibition of Horse serum Butyrylcholinesterase


Bioorg Med Chem Lett 8: 2747-50 (1999)

More data for this
Ligand-Target Pair
Butyrylcholinesterase


(Equus caballus (horse))
BDBM8964
PNG
(CHEMBL75274 | Homodimeric Tacrine Analog 3c | N-[8...)
Show SMILES C(CCCCNc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C34H42N4/c1(3-13-23-35-33-25-15-5-9-19-29(25)37-30-20-10-6-16-26(30)33)2-4-14-24-36-34-27-17-7-11-21-31(27)38-32-22-12-8-18-28(32)34/h5,7,9,11,15,17,19,21H,1-4,6,8,10,12-14,16,18,20,22-24H2,(H,35,37)(H,36,38)
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2 -49.7n/an/an/an/an/a8.025



Universita di Siena



Assay Description
Inhibition of enzyme activity was measured over a substrate concentration range of 0.01-30 mM and at least six inhibitor concentrations to determine ...


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


(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 -49.7n/an/an/an/an/a8.025



Universita degli Studi di Siena



Assay Description
Inhibition of enzyme activity was measured over a substrate concentration range of 0.01-30 mM and at least six inhibitor concentrations to determine ...


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


(Equus caballus (horse))
BDBM8969
PNG
(CHEMBL131410 | N,N-bis[3-(1,2,3,4-tetrahydroacridi...)
Show SMILES CC(=O)N(CCCNc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C34H41N5O/c1-24(40)39(22-10-20-35-33-25-12-2-6-16-29(25)37-30-17-7-3-13-26(30)33)23-11-21-36-34-27-14-4-8-18-31(27)38-32-19-9-5-15-28(32)34/h2,4,6,8,12,14,16,18H,3,5,7,9-11,13,15,17,19-23H2,1H3,(H,35,37)(H,36,38)
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2 -49.7n/an/an/an/an/a8.025



Universita di Siena



Assay Description
Inhibition of enzyme activity was measured over a substrate concentration range of 0.01-30 mM and at least six inhibitor concentrations to determine ...


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


(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 -49.7n/an/an/an/an/a8.025



Universita di Siena



Assay Description
Inhibition of enzyme activity was measured over a substrate concentration range of 0.01-30 mM and at least six inhibitor concentrations to determine ...


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


(Equus caballus (horse))
BDBM50072037
PNG
(Butyl-carbamic acid (S)-bicyclo[2.2.1]hept-2-yl es...)
Show SMILES CCCCNC(=O)OC1C[C@H]2CCC1C2
Show InChI InChI=1S/C12H21NO2/c1-2-3-6-13-12(14)15-11-8-9-4-5-10(11)7-9/h9-11H,2-8H2,1H3,(H,13,14)/t9-,10?,11?/m0/s1
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2.20n/an/an/an/an/an/an/an/a



National Chung-Hsing University

Curated by ChEMBL


Assay Description
Tested for kinetic data for the horse serum Butyrylcholinesterase-Catalyzed Hydrolysis of Butyrylthiocholine; 10e-3/M. sec


Bioorg Med Chem Lett 8: 2747-50 (1999)

More data for this
Ligand-Target Pair
Butyrylcholinesterase


(Equus caballus (horse))
BDBM8972
PNG
(N-(1,2,3,4-Tetrahydroacridin-9-yl)-9-[(1,2,3,4-tet...)
Show SMILES C(CCCCNc1c2CCCCc2nc2ccccc12)CCCCSc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C35H43N3S/c1(2-4-14-24-36-34-26-16-6-10-20-30(26)37-31-21-11-7-17-27(31)34)3-5-15-25-39-35-28-18-8-12-22-32(28)38-33-23-13-9-19-29(33)35/h6,8,10,12,16,18,20,22H,1-5,7,9,11,13-15,17,19,21,23-25H2,(H,36,37)
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2.30 -49.3n/an/an/an/an/a8.025



Universita di Siena



Assay Description
Inhibition of enzyme activity was measured over a substrate concentration range of 0.01-30 mM and at least six inhibitor concentrations to determine ...


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


(Equus caballus (horse))
BDBM8968
PNG
(2-{bis[3-(1,2,3,4-tetrahydroacridin-9-ylamino)prop...)
Show SMILES OCCN(CCCNc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C34H43N5O/c40-24-23-39(21-9-19-35-33-25-11-1-5-15-29(25)37-30-16-6-2-12-26(30)33)22-10-20-36-34-27-13-3-7-17-31(27)38-32-18-8-4-14-28(32)34/h1,3,5,7,11,13,15,17,40H,2,4,6,8-10,12,14,16,18-24H2,(H,35,37)(H,36,38)
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3.30 -48.4n/an/an/an/an/a8.025



Universita di Siena



Assay Description
Inhibition of enzyme activity was measured over a substrate concentration range of 0.01-30 mM and at least six inhibitor concentrations to determine ...


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


(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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4.20 -47.8n/an/an/an/an/a8.025



Universita di Siena



Assay Description
Inhibition of enzyme activity was measured over a substrate concentration range of 0.01-30 mM and at least six inhibitor concentrations to determine ...


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


(Equus caballus (horse))
BDBM8965
PNG
(CHEMBL338755 | Tacrine Dimer 4a | methylbis[3-(1,2...)
Show SMILES CN(CCCNc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C33H41N5/c1-38(22-10-20-34-32-24-12-2-6-16-28(24)36-29-17-7-3-13-25(29)32)23-11-21-35-33-26-14-4-8-18-30(26)37-31-19-9-5-15-27(31)33/h2,4,6,8,12,14,16,18H,3,5,7,9-11,13,15,17,19-23H2,1H3,(H,34,36)(H,35,37)
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6 -46.9n/an/an/an/an/a8.025



Universita di Siena



Assay Description
Inhibition of enzyme activity was measured over a substrate concentration range of 0.01-30 mM and at least six inhibitor concentrations to determine ...


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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7 -46.5n/an/an/an/an/a8.025



Universita degli Studi di Siena



Assay Description
Inhibition of enzyme activity was measured over a substrate concentration range of 0.01-30 mM and at least six inhibitor concentrations to determine ...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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7 -46.5n/an/an/an/an/a8.025



Universita di Siena



Assay Description
Inhibition of enzyme activity was measured over a substrate concentration range of 0.01-30 mM and at least six inhibitor concentrations to determine ...


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


(Equus caballus (horse))
BDBM50016848
PNG
(CHEMBL3276408)
Show SMILES C(CCC[n+]1c2ccccc2cc2ccccc12)CC[n+]1c2ccccc2cc2ccccc12
Show InChI InChI=1S/C32H30N2.2HI/c1(11-21-33-29-17-7-3-13-25(29)23-26-14-4-8-18-30(26)33)2-12-22-34-31-19-9-5-15-27(31)24-28-16-6-10-20-32(28)34;;/h3-10,13-20,23-24H,1-2,11-12,21-22H2;2*1H/q+2;;/p-2
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7.30n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Reversible mixed-type inhibition of horse serum butyrylcholinesterase using acetylcholine bromide as substrate assessed as free enzyme-inhibitor comp...


J Med Chem 20: 1617-23 (1978)

More data for this
Ligand-Target Pair
Butyrylcholinesterase


(Equus caballus (horse))
BDBM50135653
PNG
(2,4,6,8,10,12-hexa(2-chloro phenylmethyl)-2,4,6,8,...)
Show SMILES Clc1ccccc1CNC1C2N(Cc3ccccc3Cl)C3C(N(Cc4ccccc4Cl)C4(CC4N2Cc2ccccc2Cl)N3Cc2ccccc2Cl)N1Cc1ccccc1Cl
Show InChI InChI=1S/C49H44Cl6N6/c50-38-19-7-1-13-32(38)26-56-45-46-57(27-33-14-2-8-20-39(33)51)44-25-49(44)60(30-36-17-5-11-23-42(36)54)47(58(45)28-34-15-3-9-21-40(34)52)48(59(46)29-35-16-4-10-22-41(35)53)61(49)31-37-18-6-12-24-43(37)55/h1-24,44-48,56H,25-31H2
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10n/an/an/an/an/an/an/an/a



National Chung-Hsing University

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against Butyrylcholinesterase


Bioorg Med Chem Lett 13: 2887-90 (2003)

More data for this
Ligand-Target Pair
Butyrylcholinesterase


(Equus caballus (horse))
BDBM50016875
PNG
(CHEMBL3276431)
Show SMILES CC(=O)OCC[n+]1c2ccccc2cc2ccccc12
Show InChI InChI=1S/C17H16NO2.BrH/c1-13(19)20-11-10-18-16-8-4-2-6-14(16)12-15-7-3-5-9-17(15)18;/h2-9,12H,10-11H2,1H3;1H/q+1;/p-1
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11n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Reversible competitive inhibition of horse serum butyrylcholinesterase using acetylcholine bromide as substrate assessed as free enzyme-inhibitor com...


J Med Chem 20: 1617-23 (1978)

More data for this
Ligand-Target Pair
Butyrylcholinesterase


(Equus caballus (horse))
BDBM50016871
PNG
(CHEMBL3276432)
Show SMILES CC(=O)OCC[n+]1ccccc1
Show InChI InChI=1S/C9H12NO2.BrH/c1-9(11)12-8-7-10-5-3-2-4-6-10;/h2-6H,7-8H2,1H3;1H/q+1;/p-1
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11n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Reversible competitive inhibition of horse serum butyrylcholinesterase using acetylcholine bromide as substrate assessed as free enzyme-inhibitor com...


J Med Chem 20: 1617-23 (1978)

More data for this
Ligand-Target Pair
Butyrylcholinesterase


(Equus caballus (horse))
BDBM8958
PNG
(10-(2-diethylaminopropyl)phenothiazine | CHEMBL120...)
Show SMILES CCN(CC)C(C)CN1c2ccccc2Sc2ccccc12
Show InChI InChI=1S/C19H24N2S/c1-4-20(5-2)15(3)14-21-16-10-6-8-12-18(16)22-19-13-9-7-11-17(19)21/h6-13,15H,4-5,14H2,1-3H3
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20 -43.9n/an/an/an/an/a8.025



Universita di Siena



Assay Description
Inhibition of enzyme activity was measured over a substrate concentration range of 0.01-30 mM and at least six inhibitor concentrations to determine ...


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


(Equus caballus (horse))
BDBM50072037
PNG
(Butyl-carbamic acid (S)-bicyclo[2.2.1]hept-2-yl es...)
Show SMILES CCCCNC(=O)OC1C[C@H]2CCC1C2
Show InChI InChI=1S/C12H21NO2/c1-2-3-6-13-12(14)15-11-8-9-4-5-10(11)7-9/h9-11H,2-8H2,1H3,(H,13,14)/t9-,10?,11?/m0/s1
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20n/an/an/an/an/an/an/an/a



National Chung-Hsing University

Curated by ChEMBL


Assay Description
Compound was evaluated for irreversible inhibition of Horse serum Butyrylcholinesterase


Bioorg Med Chem Lett 8: 2747-50 (1999)

More data for this
Ligand-Target Pair
Butyrylcholinesterase


(Equus caballus (horse))
BDBM50016848
PNG
(CHEMBL3276408)
Show SMILES C(CCC[n+]1c2ccccc2cc2ccccc12)CC[n+]1c2ccccc2cc2ccccc12
Show InChI InChI=1S/C32H30N2.2HI/c1(11-21-33-29-17-7-3-13-25(29)23-26-14-4-8-18-30(26)33)2-12-22-34-31-19-9-5-15-27(31)24-28-16-6-10-20-32(28)34;;/h3-10,13-20,23-24H,1-2,11-12,21-22H2;2*1H/q+2;;/p-2
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24n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Reversible mixed-type inhibition of horse serum butyrylcholinesterase using acetylcholine bromide as substrate by Lineweaver-Burk plot analysis


J Med Chem 20: 1617-23 (1978)

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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25 -44.1n/an/an/an/an/an/a30



University of Karachi



Assay Description
AChE and BChE inhibitory activities were measured in vitro by a modified spectrophotometric method. all the inhibition studies were performed using ...


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


(Equus caballus (horse))
BDBM50016849
PNG
(CHEMBL3276410)
Show SMILES [Br-].[Br-].C(CCC[n+]1cc2ccccc2c2ccccc12)CC[n+]1cc2ccccc2c2ccccc12
Show InChI InChI=1S/C32H30N2.2BrH/c1(11-21-33-23-25-13-3-5-15-27(25)29-17-7-9-19-31(29)33)2-12-22-34-24-26-14-4-6-16-28(26)30-18-8-10-20-32(30)34;;/h3-10,13-20,23-24H,1-2,11-12,21-22H2;2*1H/q+2;;/p-2
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27n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Reversible mixed-type inhibition of horse serum butyrylcholinesterase using acetylcholine bromide as substrate assessed as free enzyme-inhibitor comp...


J Med Chem 20: 1617-23 (1978)

More data for this
Ligand-Target Pair
Butyrylcholinesterase


(Equus caballus (horse))
BDBM8973
PNG
(N-(1,2,3,4-Tetrahydroacridin-9-yl)-N-[8-(1,2,3,4-t...)
Show SMILES C(CCCCc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C34H41N3/c1(3-5-15-25-26-16-6-10-20-30(26)36-31-21-11-7-17-27(25)31)2-4-14-24-35-34-28-18-8-12-22-32(28)37-33-23-13-9-19-29(33)34/h6,8,10,12,16,18,20,22H,1-5,7,9,11,13-15,17,19,21,23-24H2,(H,35,37)
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27 -43.2n/an/an/an/an/a8.025



Universita di Siena



Assay Description
Inhibition of enzyme activity was measured over a substrate concentration range of 0.01-30 mM and at least six inhibitor concentrations to determine ...


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


(Equus caballus (horse))
BDBM10525
PNG
(N-[6-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)hexyl...)
Show SMILES C(CCCSc1c2CCCCc2nc2ccccc12)CCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C32H37N3S/c1(11-21-33-31-23-13-3-7-17-27(23)34-28-18-8-4-14-24(28)31)2-12-22-36-32-25-15-5-9-19-29(25)35-30-20-10-6-16-26(30)32/h3,5,7,9,13,15,17,19H,1-2,4,6,8,10-12,14,16,18,20-22H2,(H,33,34)
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30 -42.9n/an/an/an/an/a8.025



Universita degli Studi di Siena



Assay Description
Inhibition of enzyme activity was measured over a substrate concentration range of 0.01-30 mM and at least six inhibitor concentrations to determine ...


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


(Equus caballus (horse))
BDBM8970
PNG
(CHEMBL51197 | N-[7-(1,2,3,4-tetrahydroacridin-9-yl...)
Show SMILES C(CCCNc1c2CCCCc2nc2ccccc12)CCCSc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C33H39N3S/c1(2-12-22-34-32-24-14-4-8-18-28(24)35-29-19-9-5-15-25(29)32)3-13-23-37-33-26-16-6-10-20-30(26)36-31-21-11-7-17-27(31)33/h4,6,8,10,14,16,18,20H,1-3,5,7,9,11-13,15,17,19,21-23H2,(H,34,35)
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35 -42.6n/an/an/an/an/a8.025



Universita di Siena



Assay Description
Inhibition of enzyme activity was measured over a substrate concentration range of 0.01-30 mM and at least six inhibitor concentrations to determine ...


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


(Equus caballus (horse))
BDBM8970
PNG
(CHEMBL51197 | N-[7-(1,2,3,4-tetrahydroacridin-9-yl...)
Show SMILES C(CCCNc1c2CCCCc2nc2ccccc12)CCCSc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C33H39N3S/c1(2-12-22-34-32-24-14-4-8-18-28(24)35-29-19-9-5-15-25(29)32)3-13-23-37-33-26-16-6-10-20-30(26)36-31-21-11-7-17-27(31)33/h4,6,8,10,14,16,18,20H,1-3,5,7,9,11-13,15,17,19,21-23H2,(H,34,35)
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35 -42.6n/an/an/an/an/a8.025



Universita degli Studi di Siena



Assay Description
Inhibition of enzyme activity was measured over a substrate concentration range of 0.01-30 mM and at least six inhibitor concentrations to determine ...


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


(Equus caballus (horse))
BDBM10526
PNG
(N-[4-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)butyl...)
Show SMILES C(CCSc1c2CCCCc2nc2ccccc12)CNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C30H33N3S/c1-5-15-25-21(11-1)29(22-12-2-6-16-26(22)32-25)31-19-9-10-20-34-30-23-13-3-7-17-27(23)33-28-18-8-4-14-24(28)30/h1,3,5,7,11,13,15,17H,2,4,6,8-10,12,14,16,18-20H2,(H,31,32)
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40 -42.2n/an/an/an/an/a8.025



Universita degli Studi di Siena



Assay Description
Inhibition of enzyme activity was measured over a substrate concentration range of 0.01-30 mM and at least six inhibitor concentrations to determine ...


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


(Equus caballus (horse))
BDBM10524
PNG
(N-{6-[(6,8-dichloro-1,2,3,4-tetrahydroacridin-9-yl...)
Show SMILES Clc1cc(Cl)c2c(SCCCCCCNc3c4CCCCc4nc4ccccc34)c3CCCCc3nc2c1
Show InChI InChI=1S/C32H35Cl2N3S/c33-21-19-25(34)30-29(20-21)37-28-16-8-5-13-24(28)32(30)38-18-10-2-1-9-17-35-31-22-11-3-6-14-26(22)36-27-15-7-4-12-23(27)31/h3,6,11,14,19-20H,1-2,4-5,7-10,12-13,15-18H2,(H,35,36)
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45 -41.9n/an/an/an/an/a8.025



Universita degli Studi di Siena



Assay Description
Inhibition of enzyme activity was measured over a substrate concentration range of 0.01-30 mM and at least six inhibitor concentrations to determine ...


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


(Equus caballus (horse))
BDBM10516
PNG
(6,8-dichloro-1,2,3,4-tetrahydroacridin-9-amine | C...)
Show SMILES Nc1c2CCCCc2nc2cc(Cl)cc(Cl)c12
Show InChI InChI=1S/C13H12Cl2N2/c14-7-5-9(15)12-11(6-7)17-10-4-2-1-3-8(10)13(12)16/h5-6H,1-4H2,(H2,16,17)
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50 -41.7n/an/an/an/an/a8.025



Universita degli Studi di Siena



Assay Description
Inhibition of enzyme activity was measured over a substrate concentration range of 0.01-30 mM and at least six inhibitor concentrations to determine ...


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


(Equus caballus (horse))
BDBM50016828
PNG
(CHEMBL3276418)
Show SMILES [Br-].C(C[n+]1cc2ccccc2c2ccccc12)c1ccccc1
Show InChI InChI=1S/C21H18N.BrH/c1-2-8-17(9-3-1)14-15-22-16-18-10-4-5-11-19(18)20-12-6-7-13-21(20)22;/h1-13,16H,14-15H2;1H/q+1;/p-1
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54n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Reversible mixed-type inhibition of horse serum butyrylcholinesterase using acetylcholine bromide as substrate assessed as free enzyme-inhibitor comp...


J Med Chem 20: 1617-23 (1978)

More data for this
Ligand-Target Pair
Butyrylcholinesterase


(Equus caballus (horse))
BDBM50016851
PNG
(CHEMBL3276412)
Show SMILES C(c1ccc(C[n+]2cc3ccccc3c3ccccc23)cc1)[n+]1cc2ccccc2c2ccccc12
Show InChI InChI=1S/C34H26N2.2BrH/c1-3-11-29-27(9-1)23-35(33-15-7-5-13-31(29)33)21-25-17-19-26(20-18-25)22-36-24-28-10-2-4-12-30(28)32-14-6-8-16-34(32)36;;/h1-20,23-24H,21-22H2;2*1H/q+2;;/p-2
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57n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Reversible mixed-type inhibition of horse serum butyrylcholinesterase using acetylcholine bromide as substrate assessed as free enzyme-inhibitor comp...


J Med Chem 20: 1617-23 (1978)

More data for this
Ligand-Target Pair
Butyrylcholinesterase


(Equus caballus (horse))
BDBM50135654
PNG
(2,4,6,8,10,12-hexa(3,5-dimethoxyphenylmethyl)-2,4,...)
Show SMILES COc1cc(CNC2C3N(Cc4cc(OC)cc(OC)c4)C4C(N(Cc5cc(OC)cc(OC)c5)C5(CC5N3Cc3cc(OC)cc(OC)c3)N4Cc3cc(OC)cc(OC)c3)N2Cc2cc(OC)cc(OC)c2)cc(OC)c1
Show InChI InChI=1S/C61H74N6O12/c1-68-44-13-38(14-45(25-44)69-2)32-62-57-58-63(33-39-15-46(70-3)26-47(16-39)71-4)56-31-61(56)66(36-42-21-52(76-9)29-53(22-42)77-10)59(64(57)34-40-17-48(72-5)27-49(18-40)73-6)60(65(58)35-41-19-50(74-7)28-51(20-41)75-8)67(61)37-43-23-54(78-11)30-55(24-43)79-12/h13-30,56-60,62H,31-37H2,1-12H3
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60n/an/an/an/an/an/an/an/a



National Chung-Hsing University

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against Butyrylcholinesterase


Bioorg Med Chem Lett 13: 2887-90 (2003)

More data for this
Ligand-Target Pair
Butyrylcholinesterase


(Equus caballus (horse))
BDBM50016827
PNG
(CHEMBL3276417)
Show SMILES [Br-].C(c1ccccc1)[n+]1cc2ccccc2c2ccccc12
Show InChI InChI=1S/C20H16N.BrH/c1-2-8-16(9-3-1)14-21-15-17-10-4-5-11-18(17)19-12-6-7-13-20(19)21;/h1-13,15H,14H2;1H/q+1;/p-1
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61n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Reversible mixed-type inhibition of horse serum butyrylcholinesterase using acetylcholine bromide as substrate assessed as free enzyme-inhibitor comp...


J Med Chem 20: 1617-23 (1978)

More data for this
Ligand-Target Pair
Butyrylcholinesterase


(Equus caballus (horse))
BDBM10522
PNG
(N-{7-[(6,8-dichloro-1,2,3,4-tetrahydroacridin-9-yl...)
Show SMILES Clc1cc(Cl)c2c(SCCCCCCCNc3c4CCCCc4nc4ccccc34)c3CCCCc3nc2c1
Show InChI InChI=1S/C33H37Cl2N3S/c34-22-20-26(35)31-30(21-22)38-29-17-9-6-14-25(29)33(31)39-19-11-3-1-2-10-18-36-32-23-12-4-7-15-27(23)37-28-16-8-5-13-24(28)32/h4,7,12,15,20-21H,1-3,5-6,8-11,13-14,16-19H2,(H,36,37)
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80 -40.5n/an/an/an/an/a8.025



Universita degli Studi di Siena



Assay Description
Inhibition of enzyme activity was measured over a substrate concentration range of 0.01-30 mM and at least six inhibitor concentrations to determine ...


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


(Equus caballus (horse))
BDBM50016849
PNG
(CHEMBL3276410)
Show SMILES [Br-].[Br-].C(CCC[n+]1cc2ccccc2c2ccccc12)CC[n+]1cc2ccccc2c2ccccc12
Show InChI InChI=1S/C32H30N2.2BrH/c1(11-21-33-23-25-13-3-5-15-27(25)29-17-7-9-19-31(29)33)2-12-22-34-24-26-14-4-6-16-28(26)30-18-8-10-20-32(30)34;;/h3-10,13-20,23-24H,1-2,11-12,21-22H2;2*1H/q+2;;/p-2
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91n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Reversible mixed-type inhibition of horse serum butyrylcholinesterase using acetylcholine bromide as substrate by Lineweaver-Burk plot analysis


J Med Chem 20: 1617-23 (1978)

More data for this
Ligand-Target Pair
Butyrylcholinesterase


(Equus caballus (horse))
BDBM8962
PNG
(Bis-THA inhibitor 4 | CHEMBL179732 | N-[5-(1,2,3,4...)
Show SMILES C(CCNc1c2CCCCc2nc2ccccc12)CCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C31H36N4/c1(10-20-32-30-22-12-2-6-16-26(22)34-27-17-7-3-13-23(27)30)11-21-33-31-24-14-4-8-18-28(24)35-29-19-9-5-15-25(29)31/h2,4,6,8,12,14,16,18H,1,3,5,7,9-11,13,15,17,19-21H2,(H,32,34)(H,33,35)
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100 -40.0n/an/an/an/an/a8.025



Universita di Siena



Assay Description
Inhibition of enzyme activity was measured over a substrate concentration range of 0.01-30 mM and at least six inhibitor concentrations to determine ...


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


(Equus caballus (horse))
BDBM50072037
PNG
(Butyl-carbamic acid (S)-bicyclo[2.2.1]hept-2-yl es...)
Show SMILES CCCCNC(=O)OC1C[C@H]2CCC1C2
Show InChI InChI=1S/C12H21NO2/c1-2-3-6-13-12(14)15-11-8-9-4-5-10(11)7-9/h9-11H,2-8H2,1H3,(H,13,14)/t9-,10?,11?/m0/s1
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110n/an/an/an/an/an/an/an/a



National Chung-Hsing University

Curated by ChEMBL


Assay Description
Compound was evaluated for irreversible inhibition of Horse serum Butyrylcholinesterase


Bioorg Med Chem Lett 8: 2747-50 (1999)

More data for this
Ligand-Target Pair
Butyrylcholinesterase


(Equus caballus (horse))
BDBM50016870
PNG
(CHEMBL3276416)
Show SMILES CCCCCC[n+]1cc2ccccc2c2ccccc12
Show InChI InChI=1S/C19H22N.BrH/c1-2-3-4-9-14-20-15-16-10-5-6-11-17(16)18-12-7-8-13-19(18)20;/h5-8,10-13,15H,2-4,9,14H2,1H3;1H/q+1;/p-1
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120n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Reversible mixed-type inhibition of horse serum butyrylcholinesterase using acetylcholine bromide as substrate assessed as free enzyme-inhibitor comp...


J Med Chem 20: 1617-23 (1978)

More data for this
Ligand-Target Pair
Butyrylcholinesterase


(Equus caballus (horse))
BDBM50016872
PNG
(CHEMBL3276421)
Show SMILES CC(=O)OCC[n+]1cc2ccccc2c2ccccc12
Show InChI InChI=1S/C17H16NO2.BrH/c1-13(19)20-11-10-18-12-14-6-2-3-7-15(14)16-8-4-5-9-17(16)18;/h2-9,12H,10-11H2,1H3;1H/q+1;/p-1
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120n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Reversible competitive inhibition of horse serum butyrylcholinesterase using acetylcholine bromide as substrate assessed as free enzyme-inhibitor com...


J Med Chem 20: 1617-23 (1978)

More data for this
Ligand-Target Pair
Butyrylcholinesterase


(Equus caballus (horse))
BDBM10519
PNG
(CHEMBL51350 | N-{7-[(6,8-dichloro-1,2,3,4-tetrahyd...)
Show SMILES Clc1cc(Cl)c2c(NCCCCCCCNc3c4CCCCc4nc4ccccc34)c3CCCCc3nc2c1
Show InChI InChI=1S/C33H38Cl2N4/c34-22-20-26(35)31-30(21-22)39-29-17-9-6-14-25(29)33(31)37-19-11-3-1-2-10-18-36-32-23-12-4-7-15-27(23)38-28-16-8-5-13-24(28)32/h4,7,12,15,20-21H,1-3,5-6,8-11,13-14,16-19H2,(H,36,38)(H,37,39)
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180 -38.5n/an/an/an/an/a8.025



Universita degli Studi di Siena



Assay Description
Inhibition of enzyme activity was measured over a substrate concentration range of 0.01-30 mM and at least six inhibitor concentrations to determine ...


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


(Equus caballus (horse))
BDBM50016851
PNG
(CHEMBL3276412)
Show SMILES C(c1ccc(C[n+]2cc3ccccc3c3ccccc23)cc1)[n+]1cc2ccccc2c2ccccc12
Show InChI InChI=1S/C34H26N2.2BrH/c1-3-11-29-27(9-1)23-35(33-15-7-5-13-31(29)33)21-25-17-19-26(20-18-25)22-36-24-28-10-2-4-12-30(28)32-14-6-8-16-34(32)36;;/h1-20,23-24H,21-22H2;2*1H/q+2;;/p-2
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230n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Reversible mixed-type inhibition of horse serum butyrylcholinesterase using acetylcholine bromide as substrate by Lineweaver-Burk plot analysis


J Med Chem 20: 1617-23 (1978)

More data for this
Ligand-Target Pair
Butyrylcholinesterase


(Equus caballus (horse))
BDBM120263
PNG
(N-methylacridinium)
Show SMILES C[n+]1c2ccccc2cc2ccccc12
Show InChI InChI=1S/C14H12N/c1-15-13-8-4-2-6-11(13)10-12-7-3-5-9-14(12)15/h2-10H,1H3/q+1
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240n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Reversible mixed-type inhibition of horse serum butyrylcholinesterase using acetylcholine bromide as substrate assessed as free enzyme-inhibitor comp...


J Med Chem 20: 1617-23 (1978)

More data for this
Ligand-Target Pair
Butyrylcholinesterase


(Equus caballus (horse))
BDBM10523
PNG
(6,8-dichloro-N-[7-(1,2,3,4-tetrahydroacridin-9-yls...)
Show SMILES Clc1cc(Cl)c2c(NCCCCCCCSc3c4CCCCc4nc4ccccc34)c3CCCCc3nc2c1
Show InChI InChI=1S/C33H37Cl2N3S/c34-22-20-26(35)31-30(21-22)38-27-15-7-4-12-23(27)32(31)36-18-10-2-1-3-11-19-39-33-24-13-5-8-16-28(24)37-29-17-9-6-14-25(29)33/h5,8,13,16,20-21H,1-4,6-7,9-12,14-15,17-19H2,(H,36,38)
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250 -37.7n/an/an/an/an/a8.025



Universita degli Studi di Siena



Assay Description
Inhibition of enzyme activity was measured over a substrate concentration range of 0.01-30 mM and at least six inhibitor concentrations to determine ...


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


(Equus caballus (horse))
BDBM50016827
PNG
(CHEMBL3276417)
Show SMILES [Br-].C(c1ccccc1)[n+]1cc2ccccc2c2ccccc12
Show InChI InChI=1S/C20H16N.BrH/c1-2-8-16(9-3-1)14-21-15-17-10-4-5-11-18(17)19-12-6-7-13-20(19)21;/h1-13,15H,14H2;1H/q+1;/p-1
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260n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Reversible mixed-type inhibition of horse serum butyrylcholinesterase using acetylcholine bromide as substrate by Lineweaver-Burk plot analysis


J Med Chem 20: 1617-23 (1978)

More data for this
Ligand-Target Pair
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