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Compile Data Set for Download or QSAR

Found 34 hits of ph data with Target = 'Butyrylcholinesterase (BChE)'   
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
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM232997
PNG
((S)-(-)-endo-2-norbornyl-N-n-butylcarbamate)
Show SMILES CCCCNC(=O)OC1CC2CCC1C2
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)
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2 -49.7n/an/an/an/an/a7.025



Chung Shan Medical University Hospital



Assay Description
BChE inhibitions by the carbamate inhibitors were assayed by the Ellman method [Ellman et al., Biochem. Pharm., 7:88-95]. BChE-catalyzed hydrolysis o...


J Enzyme Inhib Med Chem 25: 13-20 (2010)


Article DOI: 10.3109/14756360902888200
BindingDB Entry DOI: 10.7270/Q2C8286J
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM232998
PNG
((R)-(+)-endo-2-norbornyl-N-n-butylcarbamate | rac-...)
Show SMILES CCCCNC(=O)OC1CC2CCC1C2
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)
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3 -48.6n/an/an/an/an/a7.025



Chung Shan Medical University Hospital



Assay Description
BChE inhibitions by the carbamate inhibitors were assayed by the Ellman method [Ellman et al., Biochem. Pharm., 7:88-95]. BChE-catalyzed hydrolysis o...


J Enzyme Inhib Med Chem 25: 13-20 (2010)


Article DOI: 10.3109/14756360902888200
BindingDB Entry DOI: 10.7270/Q2C8286J
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM232998
PNG
((R)-(+)-endo-2-norbornyl-N-n-butylcarbamate | rac-...)
Show SMILES CCCCNC(=O)OC1CC2CCC1C2
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)
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5 -47.4n/an/an/an/an/a7.025



Chung Shan Medical University Hospital



Assay Description
BChE inhibitions by the carbamate inhibitors were assayed by the Ellman method [Ellman et al., Biochem. Pharm., 7:88-95]. BChE-catalyzed hydrolysis o...


J Enzyme Inhib Med Chem 25: 13-20 (2010)


Article DOI: 10.3109/14756360902888200
BindingDB Entry DOI: 10.7270/Q2C8286J
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM232995
PNG
((R)-(+)-exo-2-norbonyl-N-n-butylcarbamate)
Show SMILES CCCCNC(=O)OC1CC2CCC1C2
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)
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11 -45.4n/an/an/an/an/a7.025



Chung Shan Medical University Hospital



Assay Description
BChE inhibitions by the carbamate inhibitors were assayed by the Ellman method [Ellman et al., Biochem. Pharm., 7:88-95]. BChE-catalyzed hydrolysis o...


J Enzyme Inhib Med Chem 25: 13-20 (2010)


Article DOI: 10.3109/14756360902888200
BindingDB Entry DOI: 10.7270/Q2C8286J
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM232999
PNG
(rac-()-exo-2-norbornyl carbamate)
Show SMILES CCNC(=O)OC1CC2CCC1C2
Show InChI InChI=1S/C10H17NO2/c1-2-11-10(12)13-9-6-7-3-4-8(9)5-7/h7-9H,2-6H2,1H3,(H,11,12)
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30 -42.9n/an/an/an/an/a7.025



Chung Shan Medical University Hospital



Assay Description
BChE inhibitions by the carbamate inhibitors were assayed by the Ellman method [Ellman et al., Biochem. Pharm., 7:88-95]. BChE-catalyzed hydrolysis o...


J Enzyme Inhib Med Chem 25: 13-20 (2010)


Article DOI: 10.3109/14756360902888200
BindingDB Entry DOI: 10.7270/Q2C8286J
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM232996
PNG
((S)-(-)-exo-2-norbonyl-N-n-butylcarbamate)
Show SMILES CCCCNC(=O)OC1CC2CCC1C2
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)
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50 -41.7n/an/an/an/an/a7.025



Chung Shan Medical University Hospital



Assay Description
BChE inhibitions by the carbamate inhibitors were assayed by the Ellman method [Ellman et al., Biochem. Pharm., 7:88-95]. BChE-catalyzed hydrolysis o...


J Enzyme Inhib Med Chem 25: 13-20 (2010)


Article DOI: 10.3109/14756360902888200
BindingDB Entry DOI: 10.7270/Q2C8286J
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(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 ...


Bioorg Med Chem Lett 11: 1779-82 (2001)


Article DOI: 10.1016/s0960-894x(01)00294-3
BindingDB Entry DOI: 10.7270/Q2DZ06JN
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(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 ...


Bioorg Med Chem Lett 11: 1779-82 (2001)


Article DOI: 10.1016/s0960-894x(01)00294-3
BindingDB Entry DOI: 10.7270/Q2DZ06JN
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(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 ...


Bioorg Med Chem Lett 11: 1779-82 (2001)


Article DOI: 10.1016/s0960-894x(01)00294-3
BindingDB Entry DOI: 10.7270/Q2DZ06JN
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(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 ...


Bioorg Med Chem Lett 11: 1779-82 (2001)


Article DOI: 10.1016/s0960-894x(01)00294-3
BindingDB Entry DOI: 10.7270/Q2DZ06JN
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(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 ...


Bioorg Med Chem Lett 11: 1779-82 (2001)


Article DOI: 10.1016/s0960-894x(01)00294-3
BindingDB Entry DOI: 10.7270/Q2DZ06JN
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(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 ...


Bioorg Med Chem Lett 11: 1779-82 (2001)


Article DOI: 10.1016/s0960-894x(01)00294-3
BindingDB Entry DOI: 10.7270/Q2DZ06JN
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(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 ...


Bioorg Med Chem Lett 11: 1779-82 (2001)


Article DOI: 10.1016/s0960-894x(01)00294-3
BindingDB Entry DOI: 10.7270/Q2DZ06JN
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(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 ...


Bioorg Med Chem Lett 11: 1779-82 (2001)


Article DOI: 10.1016/s0960-894x(01)00294-3
BindingDB Entry DOI: 10.7270/Q2DZ06JN
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(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 ...


Bioorg Med Chem Lett 11: 1779-82 (2001)


Article DOI: 10.1016/s0960-894x(01)00294-3
BindingDB Entry DOI: 10.7270/Q2DZ06JN
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(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 ...


Bioorg Med Chem Lett 11: 1779-82 (2001)


Article DOI: 10.1016/s0960-894x(01)00294-3
BindingDB Entry DOI: 10.7270/Q2DZ06JN
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM10520
PNG
(9-{[7-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)hept...)
Show SMILES C(CCCSc1c2CCCCc2nc2ccccc12)CCCSc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C33H38N2S2/c1(2-12-22-36-32-24-14-4-8-18-28(24)34-29-19-9-5-15-25(29)32)3-13-23-37-33-26-16-6-10-20-30(26)35-31-21-11-7-17-27(31)33/h4,6,8,10,14,16,18,20H,1-3,5,7,9,11-13,15,17,19,21-23H2
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380 -36.6n/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 ...


Bioorg Med Chem Lett 11: 1779-82 (2001)


Article DOI: 10.1016/s0960-894x(01)00294-3
BindingDB Entry DOI: 10.7270/Q2DZ06JN
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM10518
PNG
(6,8-dichloro-N-{7-[(6,8-dichloro-1,2,3,4-tetrahydr...)
Show SMILES Clc1cc(Cl)c2c(NCCCCCCCNc3c4CCCCc4nc4cc(Cl)cc(Cl)c34)c3CCCCc3nc2c1
Show InChI InChI=1S/C33H36Cl4N4/c34-20-16-24(36)30-28(18-20)40-26-12-6-4-10-22(26)32(30)38-14-8-2-1-3-9-15-39-33-23-11-5-7-13-27(23)41-29-19-21(35)17-25(37)31(29)33/h16-19H,1-15H2,(H,38,40)(H,39,41)
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>2.00E+4>-26.8n/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 ...


Bioorg Med Chem Lett 11: 1779-82 (2001)


Article DOI: 10.1016/s0960-894x(01)00294-3
BindingDB Entry DOI: 10.7270/Q2DZ06JN
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(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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PubMed
n/an/a 2.33E+4n/an/an/an/a8.030



Brno University of Technology



Assay Description
The assay was carried out according to the Ellman method [Ellman et al., Biochem. Pharmacol., 7:88-95], optimized for 96-well microplates using a Tec...


J Enzyme Inhib Med Chem 25: 414-20 (2010)


Article DOI: 10.3109/14756360903213481
BindingDB Entry DOI: 10.7270/Q2PK0F2Z
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM233116
PNG
(Nostotrebin 6)
Show SMILES Oc1ccc(CC2=C(Cc3ccc(O)cc3)C(=O)C(C2=O)(c2ccc(O)cc2)C2(C(=O)C(Cc3ccc(O)cc3)=C(Cc3ccc(O)cc3)C2=O)c2ccc(O)cc2)cc1
Show InChI InChI=1S/C50H38O10/c51-35-13-1-29(2-14-35)25-41-42(26-30-3-15-36(52)16-4-30)46(58)49(45(41)57,33-9-21-39(55)22-10-33)50(34-11-23-40(56)24-12-34)47(59)43(27-31-5-17-37(53)18-6-31)44(48(50)60)28-32-7-19-38(54)20-8-32/h1-24,51-56H,25-28H2
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n/an/a 6.80E+3n/an/an/an/a8.030



Brno University of Technology



Assay Description
The assay was carried out according to the Ellman method [Ellman et al., Biochem. Pharmacol., 7:88-95], optimized for 96-well microplates using a Tec...


J Enzyme Inhib Med Chem 25: 414-20 (2010)


Article DOI: 10.3109/14756360903213481
BindingDB Entry DOI: 10.7270/Q2PK0F2Z
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM29143
PNG
(CHEMBL7976 | Chalcone 1 | Chalcone, 13 | cid_63776...)
Show SMILES O=C(\C=C\c1ccccc1)c1ccccc1
Show InChI InChI=1S/C15H12O/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-12H/b12-11+
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n/an/a 1.09E+5n/an/an/an/a8.025



Quaid-i-Azam University



Assay Description
In vitro cholinesterase inhibition assay using electric-eel acetylcholinesterase, horse-serum butyrylcholinesterse. The IC50 values were calculated ...


J Enzyme Inhib Med Chem 20: 41-7 (2005)


Article DOI: 10.1080/14756360400015231
BindingDB Entry DOI: 10.7270/Q2FX781C
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM86006
PNG
(Chalcone, 5)
Show SMILES COc1ccc(\C=C\C(=O)c2ccccc2)cc1OC
Show InChI InChI=1S/C17H16O3/c1-19-16-11-9-13(12-17(16)20-2)8-10-15(18)14-6-4-3-5-7-14/h3-12H,1-2H3/b10-8+
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n/an/a 2.31E+4n/an/an/an/a8.025



Quaid-i-Azam University



Assay Description
In vitro cholinesterase inhibition assay using electric-eel acetylcholinesterase, horse-serum butyrylcholinesterse. The IC50 values were calculated ...


J Enzyme Inhib Med Chem 20: 41-7 (2005)


Article DOI: 10.1080/14756360400015231
BindingDB Entry DOI: 10.7270/Q2FX781C
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM86005
PNG
(Chalcone, 4)
Show SMILES COc1ccc(\C=C\C(=O)c2ccccc2)cc1
Show InChI InChI=1S/C16H14O2/c1-18-15-10-7-13(8-11-15)9-12-16(17)14-5-3-2-4-6-14/h2-12H,1H3/b12-9+
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n/an/a 3.90E+4n/an/an/an/a8.025



Quaid-i-Azam University



Assay Description
In vitro cholinesterase inhibition assay using electric-eel acetylcholinesterase, horse-serum butyrylcholinesterse. The IC50 values were calculated ...


J Enzyme Inhib Med Chem 20: 41-7 (2005)


Article DOI: 10.1080/14756360400015231
BindingDB Entry DOI: 10.7270/Q2FX781C
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM86004
PNG
(Chalcone 2 | Chalcone, 3)
Show SMILES Oc1ccc(\C=C\C(=O)c2ccccc2)cc1
Show InChI InChI=1S/C15H12O2/c16-14-9-6-12(7-10-14)8-11-15(17)13-4-2-1-3-5-13/h1-11,16H/b11-8+
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n/an/a 4.00E+4n/an/an/an/a8.025



Quaid-i-Azam University



Assay Description
In vitro cholinesterase inhibition assay using electric-eel acetylcholinesterase, horse-serum butyrylcholinesterse. The IC50 values were calculated ...


J Enzyme Inhib Med Chem 20: 41-7 (2005)


Article DOI: 10.1080/14756360400015231
BindingDB Entry DOI: 10.7270/Q2FX781C
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM86003
PNG
(Chalcone, 2)
Show SMILES Oc1cccc(\C=C\C(=O)c2ccccc2)c1
Show InChI InChI=1S/C15H12O2/c16-14-8-4-5-12(11-14)9-10-15(17)13-6-2-1-3-7-13/h1-11,16H/b10-9+
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n/an/a 4.62E+4n/an/an/an/a8.025



Quaid-i-Azam University



Assay Description
In vitro cholinesterase inhibition assay using electric-eel acetylcholinesterase, horse-serum butyrylcholinesterse. The IC50 values were calculated ...


J Enzyme Inhib Med Chem 20: 41-7 (2005)


Article DOI: 10.1080/14756360400015231
BindingDB Entry DOI: 10.7270/Q2FX781C
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM86002
PNG
((E)-1-phenyl-3-(2-hydroxyphenyl)-2-propen-1-one (8...)
Show SMILES Oc1ccccc1\C=C\C(=O)c1ccccc1
Show InChI InChI=1S/C15H12O2/c16-14-9-5-4-8-13(14)10-11-15(17)12-6-2-1-3-7-12/h1-11,16H/b11-10+
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n/an/a 1.60E+4n/an/an/an/a8.025



Quaid-i-Azam University



Assay Description
In vitro cholinesterase inhibition assay using electric-eel acetylcholinesterase, horse-serum butyrylcholinesterse. The IC50 values were calculated ...


J Enzyme Inhib Med Chem 20: 41-7 (2005)


Article DOI: 10.1080/14756360400015231
BindingDB Entry DOI: 10.7270/Q2FX781C
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM86107
PNG
(Galanthamine, 7)
Show SMILES COc1ccc2CN(C)CC3=C[C@H](O)C[C@@H]4Oc1c2[C@@H]34
Show InChI InChI=1S/C16H19NO3/c1-17-7-9-3-4-12(19-2)16-15(9)14-10(8-17)5-11(18)6-13(14)20-16/h3-5,11,13-14,18H,6-8H2,1-2H3/t11-,13-,14-/m0/s1
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n/an/a 8.50E+3n/an/an/an/a8.025



PCSIR Laboratories Complex



Assay Description
Butyrylcholinesterase activity-inhibiting activities were measured by a slightly modified spectrophotometric method developed by Ellman. DTNB was us...


J Enzyme Inhib Med Chem 23: 313-6 (2008)


Article DOI: 10.1080/14756360701536455
BindingDB Entry DOI: 10.7270/Q2930RRD
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM86106
PNG
(Isatan B, 6)
Show SMILES OCC1OC(Oc2c[nH]c3ccccc23)C(O)C(=O)C1O
Show InChI InChI=1S/C14H15NO6/c16-6-10-11(17)12(18)13(19)14(21-10)20-9-5-15-8-4-2-1-3-7(8)9/h1-5,10-11,13-17,19H,6H2
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n/an/a 4.76E+4n/an/an/an/a8.025



PCSIR Laboratories Complex



Assay Description
Butyrylcholinesterase activity-inhibiting activities were measured by a slightly modified spectrophotometric method developed by Ellman. DTNB was us...


J Enzyme Inhib Med Chem 23: 313-6 (2008)


Article DOI: 10.1080/14756360701536455
BindingDB Entry DOI: 10.7270/Q2930RRD
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(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 9.10n/an/an/an/a8.030



Brno University of Technology



Assay Description
The assay was carried out according to the Ellman method [Ellman et al., Biochem. Pharmacol., 7:88-95], optimized for 96-well microplates using a Tec...


J Enzyme Inhib Med Chem 25: 414-20 (2010)


Article DOI: 10.3109/14756360903213481
BindingDB Entry DOI: 10.7270/Q2PK0F2Z
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM86104
PNG
(Sulfoglucobrassicin, 4)
Show SMILES OCC1OC(SC(Cc2cc3ccccc3n2S(O)(=O)=O)=NOS(O)(=O)=O)C(O)C(O)C1O
Show InChI InChI=1S/C16H20N2O12S3/c19-7-11-13(20)14(21)15(22)16(29-11)31-12(17-30-33(26,27)28)6-9-5-8-3-1-2-4-10(8)18(9)32(23,24)25/h1-5,11,13-16,19-22H,6-7H2,(H,23,24,25)(H,26,27,28)
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n/an/a 2.48E+4n/an/an/an/a8.025



PCSIR Laboratories Complex



Assay Description
Butyrylcholinesterase activity-inhibiting activities were measured by a slightly modified spectrophotometric method developed by Ellman. DTNB was us...


J Enzyme Inhib Med Chem 23: 313-6 (2008)


Article DOI: 10.1080/14756360701536455
BindingDB Entry DOI: 10.7270/Q2930RRD
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM86103
PNG
(3'-Hydroxyepiglucoisatisin, 3)
Show SMILES OCC1OC(SC(CC(OC(=O)CC2(O)C(=O)Nc3ccccc23)C=C)=NOS(O)(=O)=O)C(O)C(O)C1O
Show InChI InChI=1S/C21H26N2O13S2/c1-2-10(34-15(25)8-21(30)11-5-3-4-6-12(11)22-20(21)29)7-14(23-36-38(31,32)33)37-19-18(28)17(27)16(26)13(9-24)35-19/h2-6,10,13,16-19,24,26-28,30H,1,7-9H2,(H,22,29)(H,31,32,33)
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n/an/a 1.63E+4n/an/an/an/a8.025



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Assay Description
Butyrylcholinesterase activity-inhibiting activities were measured by a slightly modified spectrophotometric method developed by Ellman. DTNB was us...


J Enzyme Inhib Med Chem 23: 313-6 (2008)


Article DOI: 10.1080/14756360701536455
BindingDB Entry DOI: 10.7270/Q2930RRD
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM86102
PNG
(Epiglucoisatisin, 2)
Show SMILES OCC1OC(SC(CC(OC(=O)CC2C(=O)Nc3ccccc23)C=C)=NOS(O)(=O)=O)C(O)C(O)C1O
Show InChI InChI=1S/C21H26N2O12S2/c1-2-10(33-16(25)8-12-11-5-3-4-6-13(11)22-20(12)29)7-15(23-35-37(30,31)32)36-21-19(28)18(27)17(26)14(9-24)34-21/h2-6,10,12,14,17-19,21,24,26-28H,1,7-9H2,(H,22,29)(H,30,31,32)
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n/an/a 1.97E+4n/an/an/an/a8.025



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Assay Description
Butyrylcholinesterase activity-inhibiting activities were measured by a slightly modified spectrophotometric method developed by Ellman. DTNB was us...


J Enzyme Inhib Med Chem 23: 313-6 (2008)


Article DOI: 10.1080/14756360701536455
BindingDB Entry DOI: 10.7270/Q2930RRD
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM86101
PNG
(2-[Cyano(3-indolyl) methylene]-3-indolone, 1)
Show SMILES O=C1C(Nc2ccccc12)=C(C#N)c1c[nH]c2ccccc12
Show InChI InChI=1S/C18H11N3O/c19-9-13(14-10-20-15-7-3-1-5-11(14)15)17-18(22)12-6-2-4-8-16(12)21-17/h1-8,10,20-21H/b17-13-
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n/an/a 2.35E+4n/an/an/an/a8.025



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Assay Description
Butyrylcholinesterase activity-inhibiting activities were measured by a slightly modified spectrophotometric method developed by Ellman. DTNB was us...


J Enzyme Inhib Med Chem 23: 313-6 (2008)


Article DOI: 10.1080/14756360701536455
BindingDB Entry DOI: 10.7270/Q2930RRD
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM86105
PNG
(Isatan A, 5)
Show SMILES OC1C(COC(=O)CC(O)=O)OC(Oc2c[nH]c3ccccc23)C(O)C1=O
Show InChI InChI=1S/C17H17NO9/c19-12(20)5-13(21)25-7-11-14(22)15(23)16(24)17(27-11)26-10-6-18-9-4-2-1-3-8(9)10/h1-4,6,11,14,16-18,22,24H,5,7H2,(H,19,20)
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n/an/a 4.34E+4n/an/an/an/a8.025



PCSIR Laboratories Complex



Assay Description
Butyrylcholinesterase activity-inhibiting activities were measured by a slightly modified spectrophotometric method developed by Ellman. DTNB was us...


J Enzyme Inhib Med Chem 23: 313-6 (2008)


Article DOI: 10.1080/14756360701536455
BindingDB Entry DOI: 10.7270/Q2930RRD
More data for this
Ligand-Target Pair