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Compile Data Set for Download or QSAR

Found 1169 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
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 2.44E-8n/an/an/an/an/an/a



Medical University of Lodz



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


Bioorg Chem 39: 138-42 (2011)

More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(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).


Bioorg Chem 39: 138-42 (2011)

More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(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).


Bioorg Chem 39: 138-42 (2011)

More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(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).


Bioorg Chem 39: 138-42 (2011)

More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(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).


Bioorg Chem 39: 138-42 (2011)

More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM8986
PNG
(7-chloro-1,2,3,4-tetrahydroacridin-9-amine | Tacri...)
Show SMILES Nc1c2CCCCc2nc2ccc(Cl)cc12
Show InChI InChI=1S/C13H13ClN2/c14-8-5-6-12-10(7-8)13(15)9-3-1-2-4-11(9)16-12/h5-7H,1-4H2,(H2,15,16)
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n/an/a 0.700n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of (BChE) Butyrylcholinesterase of horse serum


Bioorg Med Chem Lett 2: 861-864 (1992)

More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM9007
PNG
(7-(1,2,3,4-Tetrahydro-acridin-9-ylamino)-heptanoic...)
Show SMILES O=C(CCCCCCNc1c2CCCCc2nc2ccccc12)NCCc1c[nH]c2ccccc12
Show InChI InChI=1S/C30H36N4O/c35-29(31-20-18-22-21-33-26-14-7-4-11-23(22)26)17-3-1-2-10-19-32-30-24-12-5-8-15-27(24)34-28-16-9-6-13-25(28)30/h4-5,7-8,11-12,14-15,21,33H,1-3,6,9-10,13,16-20H2,(H,31,35)(H,32,34)
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n/an/a 0.950n/an/an/an/a8.030



Instituto de Quimica Medica (CSIC)



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 49: 459-62 (2006)

More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM227587
PNG
(3-fluoro-N-[4-(1,2,3,4-tetrahydroacridin-9-ylamino...)
Show SMILES Fc1cccc(c1)C(=O)NCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C24H26FN3O/c25-18-9-7-8-17(16-18)24(29)27-15-6-5-14-26-23-19-10-1-3-12-21(19)28-22-13-4-2-11-20(22)23/h1,3,7-10,12,16H,2,4-6,11,13-15H2,(H,26,28)(H,27,29)
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n/an/a 1.02n/an/an/an/an/an/a



Medical University of Lodz



Assay Description
The test was run as described in the following procedure: stock solution of the test compounds was diluted in phosphate buffer pH 7.4 to give final c...


Bioorg Chem 72: 315-322 (2017)

More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM50060470
PNG
(10-azatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6...)
Show SMILES Nc1c2C3CCC(C3)c2nc2ccccc12
Show InChI InChI=1S/C14H14N2/c15-13-10-3-1-2-4-11(10)16-14-9-6-5-8(7-9)12(13)14/h1-4,8-9H,5-7H2,(H2,15,16)
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n/an/a 1.30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of (BChE) Butyrylcholinesterase of horse serum


Bioorg Med Chem Lett 2: 861-864 (1992)

More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM227584
PNG
(2-Fluoro-N-[4-(1,2,3,4-tetrahydroacridin-9-ylamino...)
Show SMILES Fc1ccccc1C(=O)NCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C24H26FN3O/c25-20-12-4-1-9-17(20)24(29)27-16-8-7-15-26-23-18-10-2-5-13-21(18)28-22-14-6-3-11-19(22)23/h1-2,4-5,9-10,12-13H,3,6-8,11,14-16H2,(H,26,28)(H,27,29)
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n/an/a 1.39n/an/an/an/an/an/a



Medical University of Lodz



Assay Description
The test was run as described in the following procedure: stock solution of the test compounds was diluted in phosphate buffer pH 7.4 to give final c...


Bioorg Chem 72: 315-322 (2017)

More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM9426
PNG
(CHEMBL258928 | Heterodimeric Tacrine-Based Inhibit...)
Show SMILES NCCCCCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C21H31N3/c22-15-9-3-1-2-4-10-16-23-21-17-11-5-7-13-19(17)24-20-14-8-6-12-18(20)21/h5,7,11,13H,1-4,6,8-10,12,14-16,22H2,(H,23,24)
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n/an/a 1.40n/an/an/an/an/an/a



Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Inhibition of equine BChE by Ellman's assay


Bioorg Med Chem Lett 18: 2905-9 (2008)

More data for this
Ligand-Target Pair
Butyrylcholinesterase


(Mus musculus (Mouse))
BDBM50312905
PNG
(3alpha,8-dimethyl-1-phenethyl-1,2,3,3alpha,8,8alph...)
Show SMILES CN1[C@H]2N(CCc3ccccc3)CC[C@@]2(C)c2cc(OC(=O)NCC3CCCCC3)ccc12
Show InChI InChI=1S/C28H37N3O2/c1-28-16-18-31(17-15-21-9-5-3-6-10-21)26(28)30(2)25-14-13-23(19-24(25)28)33-27(32)29-20-22-11-7-4-8-12-22/h3,5-6,9-10,13-14,19,22,26H,4,7-8,11-12,15-18,20H2,1-2H3,(H,29,32)/t26-,28-/m0/s1
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n/an/a 1.80n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of mouse serum BChE after 1 hr by modified Ellman's colorimetric method


Bioorg Med Chem Lett 20: 1721-3 (2010)

More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM9013
PNG
(6-(1,2,3,4-Tetrahydro-acridin-9-ylamino)-hexanoic ...)
Show SMILES COc1ccc2[nH]cc(CCNC(=O)CCCCCNc3c4CCCCc4nc4ccccc34)c2c1
Show InChI InChI=1S/C30H36N4O2/c1-36-22-14-15-26-25(19-22)21(20-33-26)16-18-31-29(35)13-3-2-8-17-32-30-23-9-4-6-11-27(23)34-28-12-7-5-10-24(28)30/h4,6,9,11,14-15,19-20,33H,2-3,5,7-8,10,12-13,16-18H2,1H3,(H,31,35)(H,32,34)
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n/an/a 2n/an/an/an/a8.030



Instituto de Quimica Medica (CSIC)



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 49: 459-62 (2006)

More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM9014
PNG
(7-(1,2,3,4-Tetrahydro-acridin-9-ylamino)-heptanoic...)
Show SMILES COc1ccc2[nH]cc(CCNC(=O)CCCCCCNc3c4CCCCc4nc4ccccc34)c2c1
Show InChI InChI=1S/C31H38N4O2/c1-37-23-15-16-27-26(20-23)22(21-34-27)17-19-32-30(36)14-4-2-3-9-18-33-31-24-10-5-7-12-28(24)35-29-13-8-6-11-25(29)31/h5,7,10,12,15-16,20-21,34H,2-4,6,8-9,11,13-14,17-19H2,1H3,(H,32,36)(H,33,35)
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n/an/a 2.5n/an/an/an/a8.030



Instituto de Quimica Medica (CSIC)



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 49: 459-62 (2006)

More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM50333767
PNG
(CHEMBL1644288 | N1-(1,2,3,4-Tetrahydroacridin-9-yl...)
Show SMILES COc1cc(CNCCCCCCNc2c3CCCCc3nc3ccccc23)cc(OC)c1OC
Show InChI InChI=1S/C29H39N3O3/c1-33-26-18-21(19-27(34-2)29(26)35-3)20-30-16-10-4-5-11-17-31-28-22-12-6-8-14-24(22)32-25-15-9-7-13-23(25)28/h6,8,12,14,18-19,30H,4-5,7,9-11,13,15-17,20H2,1-3H3,(H,31,32)
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n/an/a 2.59n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of equine BChE by Ellman's method


Bioorg Med Chem 19: 763-70 (2011)

More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM50333763
PNG
(CHEMBL1644292 | N1-(3,4-Dimethoxybenzyl)-N6-(1,2,3...)
Show SMILES COc1ccc(CNCCCCCCNc2c3CCCCc3nc3ccccc23)cc1OC
Show InChI InChI=1S/C28H37N3O2/c1-32-26-16-15-21(19-27(26)33-2)20-29-17-9-3-4-10-18-30-28-22-11-5-7-13-24(22)31-25-14-8-6-12-23(25)28/h5,7,11,13,15-16,19,29H,3-4,6,8-10,12,14,17-18,20H2,1-2H3,(H,30,31)
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n/an/a 2.68n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of equine BChE by Ellman's method


Bioorg Med Chem 19: 763-70 (2011)

More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM50333765
PNG
(CHEMBL1644290 | N1-(1,2,3,4-Tetrahydroacridin-9-yl...)
Show SMILES COc1cc(CNCCCCCCCCNc2c3CCCCc3nc3ccccc23)cc(OC)c1OC
Show InChI InChI=1S/C31H43N3O3/c1-35-28-20-23(21-29(36-2)31(28)37-3)22-32-18-12-6-4-5-7-13-19-33-30-24-14-8-10-16-26(24)34-27-17-11-9-15-25(27)30/h8,10,14,16,20-21,32H,4-7,9,11-13,15,17-19,22H2,1-3H3,(H,33,34)
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n/an/a 3.38n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of equine BChE by Ellman's method


Bioorg Med Chem 19: 763-70 (2011)

More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM9018
PNG
(6-(1,2,3,4-Tetrahydro-acridin-9-ylamino)-hexanoic ...)
Show SMILES Oc1ccc2[nH]cc(CCNC(=O)CCCCCNc3c4CCCCc4nc4ccccc34)c2c1
Show InChI InChI=1S/C29H34N4O2/c34-21-13-14-25-24(18-21)20(19-32-25)15-17-30-28(35)12-2-1-7-16-31-29-22-8-3-5-10-26(22)33-27-11-6-4-9-23(27)29/h3,5,8,10,13-14,18-19,32,34H,1-2,4,6-7,9,11-12,15-17H2,(H,30,35)(H,31,33)
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n/an/a 3.5n/an/an/an/a8.030



Instituto de Quimica Medica (CSIC)



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 49: 459-62 (2006)

More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM50333766
PNG
(CHEMBL1644289 | N1-(1,2,3,4-Tetrahydroacridin-9-yl...)
Show SMILES COc1cc(CNCCCCCCCNc2c3CCCCc3nc3ccccc23)cc(OC)c1OC
Show InChI InChI=1S/C30H41N3O3/c1-34-27-19-22(20-28(35-2)30(27)36-3)21-31-17-11-5-4-6-12-18-32-29-23-13-7-9-15-25(23)33-26-16-10-8-14-24(26)29/h7,9,13,15,19-20,31H,4-6,8,10-12,14,16-18,21H2,1-3H3,(H,32,33)
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n/an/a 3.55n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of equine BChE by Ellman's method


Bioorg Med Chem 19: 763-70 (2011)

More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM227586
PNG
(3-Fluoro-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino...)
Show SMILES Fc1cccc(c1)C(=O)NCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C23H24FN3O/c24-17-8-5-7-16(15-17)23(28)26-14-6-13-25-22-18-9-1-3-11-20(18)27-21-12-4-2-10-19(21)22/h1,3,5,7-9,11,15H,2,4,6,10,12-14H2,(H,25,27)(H,26,28)
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n/an/a 3.79n/an/an/an/an/an/a



Medical University of Lodz



Assay Description
The test was run as described in the following procedure: stock solution of the test compounds was diluted in phosphate buffer pH 7.4 to give final c...


Bioorg Chem 72: 315-322 (2017)

More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM50333764
PNG
(CHEMBL1644291 | N1-(1,2,3,4-Tetrahydroacridin-9-yl...)
Show SMILES COc1cc(CNCCCCCCCCCNc2c3CCCCc3nc3ccccc23)cc(OC)c1OC
Show InChI InChI=1S/C32H45N3O3/c1-36-29-21-24(22-30(37-2)32(29)38-3)23-33-19-13-7-5-4-6-8-14-20-34-31-25-15-9-11-17-27(25)35-28-18-12-10-16-26(28)31/h9,11,15,17,21-22,33H,4-8,10,12-14,16,18-20,23H2,1-3H3,(H,34,35)
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n/an/a 4.73n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of equine BChE by Ellman's method


Bioorg Med Chem 19: 763-70 (2011)

More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM227585
PNG
(3-Fluoro-N-[2-(1,2,3,4-tetrahydroacridin-9-ylamino...)
Show SMILES Fc1cccc(c1)C(=O)NCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C22H22FN3O/c23-16-7-5-6-15(14-16)22(27)25-13-12-24-21-17-8-1-3-10-19(17)26-20-11-4-2-9-18(20)21/h1,3,5-8,10,14H,2,4,9,11-13H2,(H,24,26)(H,25,27)
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n/an/a 4.76n/an/an/an/an/an/a



Medical University of Lodz



Assay Description
The test was run as described in the following procedure: stock solution of the test compounds was diluted in phosphate buffer pH 7.4 to give final c...


Bioorg Chem 72: 315-322 (2017)

More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM50194097
PNG
(CHEMBL213609 | N,N'-bis[2,3-dihydropyrrolo[2,1-b]q...)
Show SMILES C(CCCC\N=c1/n2CCCc2nc2ccccc12)CCC\N=c1/n2CCCc2nc2ccccc12
Show InChI InChI=1S/C30H36N6/c1(3-9-19-31-29-23-13-5-7-15-25(23)33-27-17-11-21-35(27)29)2-4-10-20-32-30-24-14-6-8-16-26(24)34-28-18-12-22-36(28)30/h5-8,13-16H,1-4,9-12,17-22H2/b31-29-,32-30-
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n/an/a 4.80n/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Inhibition of horse serum BChE


J Med Chem 49: 5411-3 (2006)

More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM50377432
PNG
(CHEMBL258927)
Show SMILES NCCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C18H25N3/c19-12-6-1-7-13-20-18-14-8-2-4-10-16(14)21-17-11-5-3-9-15(17)18/h2,4,8,10H,1,3,5-7,9,11-13,19H2,(H,20,21)
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n/an/a 5n/an/an/an/an/an/a



Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Inhibition of equine BChE by Ellman's assay


Bioorg Med Chem Lett 18: 2905-9 (2008)

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 5.10n/an/an/an/an/an/a



Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Inhibition of equine BChE by Ellman's assay


Bioorg Med Chem Lett 18: 2905-9 (2008)

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 5.10n/an/an/an/an/an/a



Friedrich Schiller University Jena

Curated by ChEMBL


Assay Description
Inhibition of BuChE from equine serum


J Med Chem 51: 7666-9 (2008)

More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM50333771
PNG
(CHEMBL1644284 | N1-((7-Methoxybenzo[d][1,3]dioxol-...)
Show SMILES COc1cc(CNCCCCCCNc2c3CCCCc3nc3ccccc23)cc2OCOc12
Show InChI InChI=1S/C28H35N3O3/c1-32-25-16-20(17-26-28(25)34-19-33-26)18-29-14-8-2-3-9-15-30-27-21-10-4-6-12-23(21)31-24-13-7-5-11-22(24)27/h4,6,10,12,16-17,29H,2-3,5,7-9,11,13-15,18-19H2,1H3,(H,30,31)
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n/an/a 5.19n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of equine BChE by Ellman's method


Bioorg Med Chem 19: 763-70 (2011)

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 5.20n/an/an/an/an/an/a



Consejo Superior de Investigaciones Cientificas; Universitat Autonoma de Barcelona; Universidad de Barcelona

US Patent


Assay Description
The inhibitory activity of the enzyme acetylcholinesterase (AChE) was evaluated by the Ellman method (Biochem. Pharmacol. 1961, 7, 88) using an elect...


US Patent US8999994 (2015)

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 5.20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of (BChE) Butyrylcholinesterase of horse serum


Bioorg Med Chem Lett 2: 861-864 (1992)

More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM9008
PNG
(6-(6-Chloro-1,2,3,4-tetrahydro-acridin-9-ylamino)-...)
Show SMILES Clc1ccc2c(NCCCCCC(=O)NCCc3c[nH]c4ccccc34)c3CCCCc3nc2c1
Show InChI InChI=1S/C29H33ClN4O/c30-21-13-14-24-27(18-21)34-26-11-6-4-9-23(26)29(24)32-16-7-1-2-12-28(35)31-17-15-20-19-33-25-10-5-3-8-22(20)25/h3,5,8,10,13-14,18-19,33H,1-2,4,6-7,9,11-12,15-17H2,(H,31,35)(H,32,34)
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n/an/a 5.20n/an/an/an/a8.030



Instituto de Quimica Medica (CSIC)



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 49: 459-62 (2006)

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 5.20n/an/an/an/an/an/a



Laboratorio de Radicales Libres y Qu�mica Computacional (IQOG, CSIC)

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate after 15 mins by Ellman's method


Eur J Med Chem 52: 251-62 (2012)

More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM50377431
PNG
(CHEMBL258744)
Show SMILES NCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C16H21N3/c17-10-5-11-18-16-12-6-1-3-8-14(12)19-15-9-4-2-7-13(15)16/h1,3,6,8H,2,4-5,7,9-11,17H2,(H,18,19)
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n/an/a 5.5n/an/an/an/an/an/a



Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Inhibition of equine BChE by Ellman's assay


Bioorg Med Chem Lett 18: 2905-9 (2008)

More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM50333762
PNG
(CHEMBL1644293 | N1-(3,4-Dimethoxybenzyl)-N7-(1,2,3...)
Show SMILES COc1ccc(CNCCCCCCCNc2c3CCCCc3nc3ccccc23)cc1OC
Show InChI InChI=1S/C29H39N3O2/c1-33-27-17-16-22(20-28(27)34-2)21-30-18-10-4-3-5-11-19-31-29-23-12-6-8-14-25(23)32-26-15-9-7-13-24(26)29/h6,8,12,14,16-17,20,30H,3-5,7,9-11,13,15,18-19,21H2,1-2H3,(H,31,32)
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n/an/a 5.51n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of equine BChE by Ellman's method


Bioorg Med Chem 19: 763-70 (2011)

More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM50333761
PNG
(CHEMBL1644294 | N1-(3,4-Dimethoxybenzyl)-N8-(1,2,3...)
Show SMILES COc1ccc(CNCCCCCCCCNc2c3CCCCc3nc3ccccc23)cc1OC
Show InChI InChI=1S/C30H41N3O2/c1-34-28-18-17-23(21-29(28)35-2)22-31-19-11-5-3-4-6-12-20-32-30-24-13-7-9-15-26(24)33-27-16-10-8-14-25(27)30/h7,9,13,15,17-18,21,31H,3-6,8,10-12,14,16,19-20,22H2,1-2H3,(H,32,33)
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n/an/a 5.57n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of equine BChE by Ellman's method


Bioorg Med Chem 19: 763-70 (2011)

More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM50333760
PNG
(CHEMBL1644295 | N1-(3,4-Dimethoxybenzyl)-N9-(1,2,3...)
Show SMILES COc1ccc(CNCCCCCCCCCNc2c3CCCCc3nc3ccccc23)cc1OC
Show InChI InChI=1S/C31H43N3O2/c1-35-29-19-18-24(22-30(29)36-2)23-32-20-12-6-4-3-5-7-13-21-33-31-25-14-8-10-16-27(25)34-28-17-11-9-15-26(28)31/h8,10,14,16,18-19,22,32H,3-7,9,11-13,15,17,20-21,23H2,1-2H3,(H,33,34)
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n/an/a 5.67n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of equine BChE by Ellman's method


Bioorg Med Chem 19: 763-70 (2011)

More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM50261344
PNG
(CHEMBL466338 | N-(3-{[6-Chloro-2,3-dihydropyrrolo[...)
Show SMILES Clc1ccc2c(c1)nc1CCCn1\c2=N/CCCCCCCCNC(=O)CCCCC1CCSS1
Show InChI InChI=1S/C27H39ClN4OS2/c28-21-13-14-23-24(20-21)31-25-11-9-18-32(25)27(23)30-17-8-4-2-1-3-7-16-29-26(33)12-6-5-10-22-15-19-34-35-22/h13-14,20,22H,1-12,15-19H2,(H,29,33)/b30-27-
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n/an/a 5.70n/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE by Ellman's assay


Bioorg Med Chem 16: 4252-61 (2008)

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 5.90n/an/an/an/an/an/a



Wuhan University of Technology



Assay Description
This spectrophotometric assay is based on the reaction of 5,5-dithio-bis(2-nitrobenzoic)acid (DTNB) with thiocholine to yield a colored product. Sh...


Chem Biol Drug Des 88: 889-898 (2016)

More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM50377436
PNG
(CHEMBL255304)
Show SMILES COc1cc(\C=C\C(=O)NCCCCNc2c3CCCCc3nc3ccccc23)ccc1O
Show InChI InChI=1S/C27H31N3O3/c1-33-25-18-19(12-14-24(25)31)13-15-26(32)28-16-6-7-17-29-27-20-8-2-4-10-22(20)30-23-11-5-3-9-21(23)27/h2,4,8,10,12-15,18,31H,3,5-7,9,11,16-17H2,1H3,(H,28,32)(H,29,30)/b15-13+
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n/an/a 5.90n/an/an/an/an/an/a



Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Inhibition of equine BChE by Ellman's assay


Bioorg Med Chem Lett 18: 2905-9 (2008)

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 6n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Compound was evaluated for the in vitro inhibition of the Butyrylcholinesterase from horse serum


J Med Chem 37: 2721-34 (1994)

More data for this
Ligand-Target Pair
Butyrylcholinesterase


(Mus musculus (Mouse))
BDBM50312902
PNG
(3alpha,8-dimethyl-1-phenethyl-1,2,3,3alpha,8,8alph...)
Show SMILES CN1[C@H]2N(CCc3ccccc3)CC[C@@]2(C)c2cc(OC(=O)NCc3ccccc3)ccc12
Show InChI InChI=1S/C28H31N3O2/c1-28-16-18-31(17-15-21-9-5-3-6-10-21)26(28)30(2)25-14-13-23(19-24(25)28)33-27(32)29-20-22-11-7-4-8-12-22/h3-14,19,26H,15-18,20H2,1-2H3,(H,29,32)/t26-,28-/m0/s1
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n/an/a 6.60n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of mouse serum BChE after 1 hr by modified Ellman's colorimetric method


Bioorg Med Chem Lett 20: 1721-3 (2010)

More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM50377439
PNG
(CHEMBL257126)
Show SMILES COc1cc(\C=C\C(=O)NCCCCCNc2c3CCCCc3nc3ccccc23)ccc1O
Show InChI InChI=1S/C28H33N3O3/c1-34-26-19-20(13-15-25(26)32)14-16-27(33)29-17-7-2-8-18-30-28-21-9-3-5-11-23(21)31-24-12-6-4-10-22(24)28/h3,5,9,11,13-16,19,32H,2,4,6-8,10,12,17-18H2,1H3,(H,29,33)(H,30,31)/b16-14+
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n/an/a 6.70n/an/an/an/an/an/a



Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Inhibition of equine BChE by Ellman's assay


Bioorg Med Chem Lett 18: 2905-9 (2008)

More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM50377433
PNG
(CHEMBL258926)
Show SMILES NCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C17H23N3/c18-11-5-6-12-19-17-13-7-1-3-9-15(13)20-16-10-4-2-8-14(16)17/h1,3,7,9H,2,4-6,8,10-12,18H2,(H,19,20)
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n/an/a 7.10n/an/an/an/an/an/a



Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Inhibition of equine BChE by Ellman's assay


Bioorg Med Chem Lett 18: 2905-9 (2008)

More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM50273429
PNG
(9-[N(delta)-propyl -delta-aminobutylamino]-1,2,3,4...)
Show SMILES CCCNCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C20H29N3/c1-2-13-21-14-7-8-15-22-20-16-9-3-5-11-18(16)23-19-12-6-4-10-17(19)20/h3,5,9,11,21H,2,4,6-8,10,12-15H2,1H3,(H,22,23)
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n/an/a 7.20n/an/an/an/an/an/a



Friedrich Schiller University Jena

Curated by ChEMBL


Assay Description
Inhibition of BuChE from equine serum


J Med Chem 51: 7666-9 (2008)

More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM50273578
PNG
(9-[Nbeta-(2'-(Nitrooxy)ethyl)-beta-aminoethylamino...)
Show SMILES [O-][N+](=O)OCCNCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C17H22N4O3/c22-21(23)24-12-11-18-9-10-19-17-13-5-1-3-7-15(13)20-16-8-4-2-6-14(16)17/h1,3,5,7,18H,2,4,6,8-12H2,(H,19,20)
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n/an/a 7.30n/an/an/an/an/an/a



Friedrich Schiller University Jena

Curated by ChEMBL


Assay Description
Inhibition of BuChE from equine serum


J Med Chem 51: 7666-9 (2008)

More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM50194105
PNG
(CHEMBL213850 | N,N'-bis[6,7,8,9-tetrahydro-11H-pyr...)
Show SMILES C(CCCC\N=c1/n2CCCCc2nc2ccccc12)CCC\N=c1/n2CCCCc2nc2ccccc12
Show InChI InChI=1S/C32H40N6/c1(3-11-21-33-31-25-15-5-7-17-27(25)35-29-19-9-13-23-37(29)31)2-4-12-22-34-32-26-16-6-8-18-28(26)36-30-20-10-14-24-38(30)32/h5-8,15-18H,1-4,9-14,19-24H2/b33-31-,34-32-
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n/an/a 7.60n/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Inhibition of horse serum BChE


J Med Chem 49: 5411-3 (2006)

More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM227583
PNG
(2-Fluoro-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino...)
Show SMILES Fc1ccccc1C(=O)NCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C23H24FN3O/c24-19-11-4-1-8-16(19)23(28)26-15-7-14-25-22-17-9-2-5-12-20(17)27-21-13-6-3-10-18(21)22/h1-2,4-5,8-9,11-12H,3,6-7,10,13-15H2,(H,25,27)(H,26,28)
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n/an/a 7.80n/an/an/an/an/an/a



Medical University of Lodz



Assay Description
The test was run as described in the following procedure: stock solution of the test compounds was diluted in phosphate buffer pH 7.4 to give final c...


Bioorg Chem 72: 315-322 (2017)

More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM8987
PNG
(6-chloro-1,2,3,4-tetrahydroacridin-9-amine | 6-chl...)
Show SMILES Nc1c2CCCCc2nc2cc(Cl)ccc12
Show InChI InChI=1S/C13H13ClN2/c14-8-5-6-10-12(7-8)16-11-4-2-1-3-9(11)13(10)15/h5-7H,1-4H2,(H2,15,16)
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n/an/a 7.90n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of (BChE) Butyrylcholinesterase of horse serum


Bioorg Med Chem Lett 2: 861-864 (1992)

More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM50333769
PNG
(CHEMBL1644286 | N1-((7-Methoxybenzo[d][1,3]dioxol-...)
Show SMILES COc1cc(CNCCCCCCCCNc2c3CCCCc3nc3ccccc23)cc2OCOc12
Show InChI InChI=1S/C30H39N3O3/c1-34-27-18-22(19-28-30(27)36-21-35-28)20-31-16-10-4-2-3-5-11-17-32-29-23-12-6-8-14-25(23)33-26-15-9-7-13-24(26)29/h6,8,12,14,18-19,31H,2-5,7,9-11,13,15-17,20-21H2,1H3,(H,32,33)
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n/an/a 7.94n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of equine BChE by Ellman's method


Bioorg Med Chem 19: 763-70 (2011)

More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM50400030
PNG
(CHEMBL2177713)
Show SMILES CCN(C)C(=O)Oc1cccc2C(CCC(=O)OC)CNc12
Show InChI InChI=1S/C16H22N2O4/c1-4-18(2)16(20)22-13-7-5-6-12-11(10-17-15(12)13)8-9-14(19)21-3/h5-7,11,17H,4,8-10H2,1-3H3
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n/an/a 8n/an/an/an/an/an/a



Bar Ilan University

Curated by ChEMBL


Assay Description
Inhibition of equine BuChE after 120 mins by Ellman's method


J Med Chem 55: 10700-15 (2012)

More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM9009
PNG
(7-(6-Chloro-1,2,3,4-tetrahydro-acridin-9-ylamino)-...)
Show SMILES Clc1ccc2c(NCCCCCCC(=O)NCCc3c[nH]c4ccccc34)c3CCCCc3nc2c1
Show InChI InChI=1S/C30H35ClN4O/c31-22-14-15-25-28(19-22)35-27-12-7-5-10-24(27)30(25)33-17-8-2-1-3-13-29(36)32-18-16-21-20-34-26-11-6-4-9-23(21)26/h4,6,9,11,14-15,19-20,34H,1-3,5,7-8,10,12-13,16-18H2,(H,32,36)(H,33,35)
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n/an/a 8.10n/an/an/an/a8.030



Instituto de Quimica Medica (CSIC)



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 49: 459-62 (2006)

More data for this
Ligand-Target Pair
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