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Compile Data Set for Download or QSAR

Found 445 hits with Last Name = 'heilmann' and Initial = 'j'   
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 (BuChE)


(Equus caballus (Horse))
BDBM50392999
PNG
(CHEMBL2152545)
Show SMILES CCCCCCCNC(=O)Oc1ccc2N(C)C3N(CCc4ccccc34)Cc2c1
Show InChI InChI=1S/C25H33N3O2/c1-3-4-5-6-9-15-26-25(29)30-21-12-13-23-20(17-21)18-28-16-14-19-10-7-8-11-22(19)24(28)27(23)2/h7-8,10-13,17,24H,3-6,9,14-16,18H2,1-2H3,(H,26,29)
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12.7n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Time dependent inhibition of equine serum BChE assessed as stability constants of inhibitor-enzyme complex using acetylthiocholine as substrate after...


ACS Med Chem Lett 3: 914-919 (2012)


Article DOI: 10.1021/ml3001825
BindingDB Entry DOI: 10.7270/Q2P27079
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50004000
PNG
((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...)
Show SMILES CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1 |r|
Show InChI InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15+/m1/s1
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34n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Time dependent inhibition of Electric eel AChE assessed as stability constants of inhibitor-enzyme complex using acetylthiocholine as substrate after...


ACS Med Chem Lett 3: 914-919 (2012)


Article DOI: 10.1021/ml3001825
BindingDB Entry DOI: 10.7270/Q2P27079
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50004000
PNG
((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...)
Show SMILES CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1 |r|
Show InChI InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15+/m1/s1
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41n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Time dependent inhibition of equine serum BChE assessed as stability constants of inhibitor-enzyme complex using acetylthiocholine as substrate after...


ACS Med Chem Lett 3: 914-919 (2012)


Article DOI: 10.1021/ml3001825
BindingDB Entry DOI: 10.7270/Q2P27079
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


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



TBA

Curated by ChEMBL


Assay Description
Time dependent inhibition of equine serum BChE assessed as stability constants of inhibitor-enzyme complex using acetylthiocholine as substrate after...


ACS Med Chem Lett 3: 914-919 (2012)


Article DOI: 10.1021/ml3001825
BindingDB Entry DOI: 10.7270/Q2P27079
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50392998
PNG
(CHEMBL2152544)
Show SMILES CCN(C)C(=O)Oc1ccc2N(C)C3N(CCc4ccccc34)Cc2c1
Show InChI InChI=1S/C21H25N3O2/c1-4-22(2)21(25)26-17-9-10-19-16(13-17)14-24-12-11-15-7-5-6-8-18(15)20(24)23(19)3/h5-10,13,20H,4,11-12,14H2,1-3H3
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1.12E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Time dependent inhibition of Electric eel AChE assessed as stability constants of inhibitor-enzyme complex using acetylthiocholine as substrate after...


ACS Med Chem Lett 3: 914-919 (2012)


Article DOI: 10.1021/ml3001825
BindingDB Entry DOI: 10.7270/Q2P27079
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50056333
PNG
(CHEMBL3322470)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCCNCc1ccc(CNCCCCNC(=O)c2nn(c(c2C)-c2ccc(Cl)cc2)-c2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C50H48Cl6N8O2/c1-31-45(61-63(43-21-19-39(53)27-41(43)55)47(31)35-11-15-37(51)16-12-35)49(65)59-25-5-3-23-57-29-33-7-9-34(10-8-33)30-58-24-4-6-26-60-50(66)46-32(2)48(36-13-17-38(52)18-14-36)64(62-46)44-22-20-40(54)28-42(44)56/h7-22,27-28,57-58H,3-6,23-26,29-30H2,1-2H3,(H,59,65)(H,60,66)
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2.40E+3n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Displacement of [3H] CP-55,940 from human CB2 receptor expressed in HEK cells at 10 uM after 3 hrs by scintillation counting


Bioorg Med Chem Lett 24: 4209-14 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.038
BindingDB Entry DOI: 10.7270/Q26M38HV
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50056338
PNG
(CHEMBL3322475)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCCNCc1ccccc1
Show InChI InChI=1S/C28H27Cl3N4O/c1-19-26(28(36)33-16-6-5-15-32-18-20-7-3-2-4-8-20)34-35(25-14-13-23(30)17-24(25)31)27(19)21-9-11-22(29)12-10-21/h2-4,7-14,17,32H,5-6,15-16,18H2,1H3,(H,33,36)
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1.27E+4n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Displacement of [3H] CP-55,940 from human CB2 receptor expressed in HEK cells at 10 uM after 3 hrs by scintillation counting


Bioorg Med Chem Lett 24: 4209-14 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.038
BindingDB Entry DOI: 10.7270/Q26M38HV
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 2/zeta 1


(Homo sapiens (Human))
BDBM50317180
PNG
(2-[6-(beta-Carboline-2-ium-2-yl)hexyl]-beta-carbol...)
Show SMILES C(CCC[n+]1ccc2c(c1)[nH]c1ccccc21)CC[n+]1ccc2c(c1)[nH]c1ccccc21
Show InChI InChI=1S/C28H26N4/c1(7-15-31-17-13-23-21-9-3-5-11-25(21)29-27(23)19-31)2-8-16-32-18-14-24-22-10-4-6-12-26(22)30-28(24)20-32/h3-6,9-14,17-20H,1-2,7-8,15-16H2/p+2
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2.00E+4n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universitat Jena

Curated by ChEMBL


Assay Description
Displacement of [3H]ifenprodil from human NR1-1a/NR2B receptor expressed in mouse L13-E6 cells


J Med Chem 53: 3611-7 (2010)


Article DOI: 10.1021/jm1000024
BindingDB Entry DOI: 10.7270/Q2SJ1KS0
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50056339
PNG
(CHEMBL3322476)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCCCCCCNCc1ccccc1
Show InChI InChI=1S/C32H35Cl3N4O/c1-23-30(32(40)37-20-10-5-3-2-4-9-19-36-22-24-11-7-6-8-12-24)38-39(29-18-17-27(34)21-28(29)35)31(23)25-13-15-26(33)16-14-25/h6-8,11-18,21,36H,2-5,9-10,19-20,22H2,1H3,(H,37,40)
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3.10E+4n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Displacement of [3H] CP-55,940 from human CB2 receptor expressed in HEK cells at 10 uM after 3 hrs by scintillation counting


Bioorg Med Chem Lett 24: 4209-14 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.038
BindingDB Entry DOI: 10.7270/Q26M38HV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50317179
PNG
(2-Methyl-9-[9-(2-methyl-beta-carboline-9-yl)nonyl]...)
Show SMILES C[n+]1ccc2c(c1)n(CCCCCCCCCn1c3ccccc3c3cc[n+](C)cc13)c1ccccc21
Show InChI InChI=1S/C33H38N4/c1-34-22-18-28-26-14-8-10-16-30(26)36(32(28)24-34)20-12-6-4-3-5-7-13-21-37-31-17-11-9-15-27(31)29-19-23-35(2)25-33(29)37/h8-11,14-19,22-25H,3-7,12-13,20-21H2,1-2H3/q+2
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n/an/a 0.492n/an/an/an/an/an/a



Friedrich-Schiller-Universitat Jena

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by modified Ellman's method


J Med Chem 53: 3611-7 (2010)


Article DOI: 10.1021/jm1000024
BindingDB Entry DOI: 10.7270/Q2SJ1KS0
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50317179
PNG
(2-Methyl-9-[9-(2-methyl-beta-carboline-9-yl)nonyl]...)
Show SMILES C[n+]1ccc2c(c1)n(CCCCCCCCCn1c3ccccc3c3cc[n+](C)cc13)c1ccccc21
Show InChI InChI=1S/C33H38N4/c1-34-22-18-28-26-14-8-10-16-30(26)36(32(28)24-34)20-12-6-4-3-5-7-13-21-37-31-17-11-9-15-27(31)29-19-23-35(2)25-33(29)37/h8-11,14-19,22-25H,3-7,12-13,20-21H2,1-2H3/q+2
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n/an/a 0.507n/an/an/an/an/an/a



Friedrich-Schiller-Universitat Jena

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE by modified Ellman's method


J Med Chem 53: 3611-7 (2010)


Article DOI: 10.1021/jm1000024
BindingDB Entry DOI: 10.7270/Q2SJ1KS0
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50317178
PNG
(2-Methyl-9-[12-(2-methyl-beta-carboline-9-yl)dodec...)
Show SMILES C[n+]1ccc2c(c1)n(CCCCCCCCCCCCn1c3ccccc3c3cc[n+](C)cc13)c1ccccc21
Show InChI InChI=1S/C36H44N4/c1-37-25-21-31-29-17-11-13-19-33(29)39(35(31)27-37)23-15-9-7-5-3-4-6-8-10-16-24-40-34-20-14-12-18-30(34)32-22-26-38(2)28-36(32)40/h11-14,17-22,25-28H,3-10,15-16,23-24H2,1-2H3/q+2
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n/an/a 1.20n/an/an/an/an/an/a



Friedrich-Schiller-Universitat Jena

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by modified Ellman's method


J Med Chem 53: 3611-7 (2010)


Article DOI: 10.1021/jm1000024
BindingDB Entry DOI: 10.7270/Q2SJ1KS0
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)


Article DOI: 10.1016/j.bmcl.2008.03.073
BindingDB Entry DOI: 10.7270/Q2M909KN
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50396135
PNG
(CHEMBL2171328)
Show SMILES NCCCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C19H27N3/c20-13-7-1-2-8-14-21-19-15-9-3-5-11-17(15)22-18-12-6-4-10-16(18)19/h3,5,9,11H,1-2,4,6-8,10,12-14,20H2,(H,21,22)
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n/an/a 2n/an/an/an/an/an/a



Universit£t Regensburg

Curated by ChEMBL


Assay Description
Inhibition of horse AChE by colorimetric Ellman assay


J Med Chem 55: 5231-42 (2012)


Article DOI: 10.1021/jm300246n
BindingDB Entry DOI: 10.7270/Q2X06868
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50396135
PNG
(CHEMBL2171328)
Show SMILES NCCCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C19H27N3/c20-13-7-1-2-8-14-21-19-15-9-3-5-11-17(15)22-18-12-6-4-10-16(18)19/h3,5,9,11H,1-2,4,6-8,10,12-14,20H2,(H,21,22)
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n/an/a 2.04n/an/an/an/an/an/a



Universit£t Regensburg

Curated by ChEMBL


Assay Description
Inhibition of horse AChE by colorimetric Ellman assay


J Med Chem 55: 5231-42 (2012)


Article DOI: 10.1021/jm300246n
BindingDB Entry DOI: 10.7270/Q2X06868
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
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 3.20n/an/an/an/an/an/a



Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Inhibition of electric eel AchE by Ellman's assay


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


Article DOI: 10.1016/j.bmcl.2008.03.073
BindingDB Entry DOI: 10.7270/Q2M909KN
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(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 3.20n/an/an/an/an/an/a



Universit£t Regensburg

Curated by ChEMBL


Assay Description
Inhibition of horse AChE by colorimetric Ellman assay


J Med Chem 55: 5231-42 (2012)


Article DOI: 10.1021/jm300246n
BindingDB Entry DOI: 10.7270/Q2X06868
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
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 3.5n/an/an/an/an/an/a



Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Inhibition of electric eel AchE by Ellman's assay


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


Article DOI: 10.1016/j.bmcl.2008.03.073
BindingDB Entry DOI: 10.7270/Q2M909KN
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50317178
PNG
(2-Methyl-9-[12-(2-methyl-beta-carboline-9-yl)dodec...)
Show SMILES C[n+]1ccc2c(c1)n(CCCCCCCCCCCCn1c3ccccc3c3cc[n+](C)cc13)c1ccccc21
Show InChI InChI=1S/C36H44N4/c1-37-25-21-31-29-17-11-13-19-33(29)39(35(31)27-37)23-15-9-7-5-3-4-6-8-10-16-24-40-34-20-14-12-18-30(34)32-22-26-38(2)28-36(32)40/h11-14,17-22,25-28H,3-10,15-16,23-24H2,1-2H3/q+2
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n/an/a 4n/an/an/an/an/an/a



Friedrich-Schiller-Universitat Jena

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE by modified Ellman's method


J Med Chem 53: 3611-7 (2010)


Article DOI: 10.1021/jm1000024
BindingDB Entry DOI: 10.7270/Q2SJ1KS0
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
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 4.40n/an/an/an/an/an/a



Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Inhibition of electric eel AchE by Ellman's assay


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


Article DOI: 10.1016/j.bmcl.2008.03.073
BindingDB Entry DOI: 10.7270/Q2M909KN
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(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 5n/an/an/an/an/an/a



Friedrich-Schiller-Universitat Jena

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE by modified Ellman's method


J Med Chem 53: 3611-7 (2010)


Article DOI: 10.1021/jm1000024
BindingDB Entry DOI: 10.7270/Q2SJ1KS0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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)


Article DOI: 10.1016/j.bmcl.2008.03.073
BindingDB Entry DOI: 10.7270/Q2M909KN
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)


Article DOI: 10.1016/j.bmcl.2008.03.073
BindingDB Entry DOI: 10.7270/Q2M909KN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Butyrylcholinesterase (BuChE)


(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 5.13n/an/an/an/an/an/a



Universit£t Regensburg

Curated by ChEMBL


Assay Description
Inhibition of horse AChE by colorimetric Ellman assay


J Med Chem 55: 5231-42 (2012)


Article DOI: 10.1021/jm300246n
BindingDB Entry DOI: 10.7270/Q2X06868
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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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)


Article DOI: 10.1016/j.bmcl.2008.03.073
BindingDB Entry DOI: 10.7270/Q2M909KN
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)


Article DOI: 10.1016/j.bmc.2008.02.083
BindingDB Entry DOI: 10.7270/Q2Q81CV1
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)


Article DOI: 10.1016/j.bmcl.2008.03.073
BindingDB Entry DOI: 10.7270/Q2M909KN
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)


Article DOI: 10.1016/j.bmcl.2008.03.073
BindingDB Entry DOI: 10.7270/Q2M909KN
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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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)


Article DOI: 10.1016/j.bmcl.2008.03.073
BindingDB Entry DOI: 10.7270/Q2M909KN
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
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 7.60n/an/an/an/an/an/a



Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Inhibition of electric eel AchE by Ellman's assay


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


Article DOI: 10.1016/j.bmcl.2008.03.073
BindingDB Entry DOI: 10.7270/Q2M909KN
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50004000
PNG
((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...)
Show SMILES CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1 |r|
Show InChI InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15+/m1/s1
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n/an/a 7.70n/an/an/an/an/an/a



University of W£rzburg

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by Ellman's method


Eur J Med Chem 81: 15-21 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.002
BindingDB Entry DOI: 10.7270/Q24B32VG
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50377435
PNG
(CHEMBL256919)
Show SMILES COc1cc(\C=C\C(=O)NCCCCCCCCNc2c3CCCCc3nc3ccccc23)ccc1O
Show InChI InChI=1S/C31H39N3O3/c1-37-29-22-23(16-18-28(29)35)17-19-30(36)32-20-10-4-2-3-5-11-21-33-31-24-12-6-8-14-26(24)34-27-15-9-7-13-25(27)31/h6,8,12,14,16-19,22,35H,2-5,7,9-11,13,15,20-21H2,1H3,(H,32,36)(H,33,34)/b19-17+
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n/an/a 9.60n/an/an/an/an/an/a



Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Inhibition of electric eel AchE by Ellman's assay


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


Article DOI: 10.1016/j.bmcl.2008.03.073
BindingDB Entry DOI: 10.7270/Q2M909KN
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM50261292
PNG
(CHEMBL466744 | N-[6-Chloro-2,3-dihydropyrrolo[2,1-...)
Show SMILES NCCCCCCCC\N=c1/n2CCCc2nc2cc(Cl)ccc12
Show InChI InChI=1S/C19H27ClN4/c20-15-9-10-16-17(14-15)23-18-8-7-13-24(18)19(16)22-12-6-4-2-1-3-5-11-21/h9-10,14H,1-8,11-13,21H2/b22-19-
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n/an/a 12n/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)


Article DOI: 10.1016/j.bmc.2008.02.083
BindingDB Entry DOI: 10.7270/Q2Q81CV1
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM50377434
PNG
(CHEMBL407765)
Show SMILES NCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C15H19N3/c16-9-10-17-15-11-5-1-3-7-13(11)18-14-8-4-2-6-12(14)15/h1,3,5,7H,2,4,6,8-10,16H2,(H,17,18)
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n/an/a 12.3n/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)


Article DOI: 10.1016/j.bmcl.2008.03.073
BindingDB Entry DOI: 10.7270/Q2M909KN
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM50377435
PNG
(CHEMBL256919)
Show SMILES COc1cc(\C=C\C(=O)NCCCCCCCCNc2c3CCCCc3nc3ccccc23)ccc1O
Show InChI InChI=1S/C31H39N3O3/c1-37-29-22-23(16-18-28(29)35)17-19-30(36)32-20-10-4-2-3-5-11-21-33-31-24-12-6-8-14-26(24)34-27-15-9-7-13-25(27)31/h6,8,12,14,16-19,22,35H,2-5,7,9-11,13,15,20-21H2,1H3,(H,32,36)(H,33,34)/b19-17+
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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)


Article DOI: 10.1016/j.bmcl.2008.03.073
BindingDB Entry DOI: 10.7270/Q2M909KN
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50160078
PNG
(CHEMBL3787613)
Show SMILES CCCCCCCNC(=O)Oc1ccc2N(C)C(N(C)Cc2c1)c1cccs1
Show InChI InChI=1/C22H31N3O2S/c1-4-5-6-7-8-13-23-22(26)27-18-11-12-19-17(15-18)16-24(2)21(25(19)3)20-10-9-14-28-20/h9-12,14-15,21H,4-8,13,16H2,1-3H3,(H,23,26)
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n/an/a 13n/an/an/an/an/an/a



Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Inhibition of human butyrylcholinesterase using butyrylcholine iodide as substrate preincubated for 30 mins followed by substrate addition measured a...


J Med Chem 59: 2067-82 (2016)


BindingDB Entry DOI: 10.7270/Q25H7J4D
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50160078
PNG
(CHEMBL3787613)
Show SMILES CCCCCCCNC(=O)Oc1ccc2N(C)C(N(C)Cc2c1)c1cccs1
Show InChI InChI=1/C22H31N3O2S/c1-4-5-6-7-8-13-23-22(26)27-18-11-12-19-17(15-18)16-24(2)21(25(19)3)20-10-9-14-28-20/h9-12,14-15,21H,4-8,13,16H2,1-3H3,(H,23,26)
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n/an/a 14n/an/an/an/an/an/a



Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Inhibition of equine serum butyrylcholinesterase using butyrylcholine iodide as substrate preincubated for 30 mins followed by substrate addition mea...


J Med Chem 59: 2067-82 (2016)


BindingDB Entry DOI: 10.7270/Q25H7J4D
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM50261343
PNG
(CHEMBL466146 | N-(4-{[6-Chloro-2,3-dihydropyrrolo[...)
Show SMILES Clc1ccc2c(c1)nc1CCCn1\c2=N/CCCCCCCNC(=O)CCCCC1CCSS1
Show InChI InChI=1S/C26H37ClN4OS2/c27-20-12-13-22-23(19-20)30-24-10-8-17-31(24)26(22)29-16-7-3-1-2-6-15-28-25(32)11-5-4-9-21-14-18-33-34-21/h12-13,19,21H,1-11,14-18H2,(H,28,32)/b29-26-
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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)


Article DOI: 10.1016/j.bmc.2008.02.083
BindingDB Entry DOI: 10.7270/Q2Q81CV1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
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 15.6n/an/an/an/an/an/a



Universit£t Regensburg

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by colorimetric Ellman assay


J Med Chem 55: 5231-42 (2012)


Article DOI: 10.1021/jm300246n
BindingDB Entry DOI: 10.7270/Q2X06868
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50317183
PNG
(2-[11-(beta-Carboline-2-ium-2-yl)undecyl]-beta-car...)
Show SMILES C(CCCCC[n+]1ccc2c(c1)[nH]c1ccccc21)CCCCC[n+]1ccc2c(c1)[nH]c1ccccc21
Show InChI InChI=1S/C33H36N4/c1(2-4-6-12-20-36-22-18-28-26-14-8-10-16-30(26)34-32(28)24-36)3-5-7-13-21-37-23-19-29-27-15-9-11-17-31(27)35-33(29)25-37/h8-11,14-19,22-25H,1-7,12-13,20-21H2/p+2
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n/an/a 18n/an/an/an/an/an/a



Friedrich-Schiller-Universitat Jena

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE by modified Ellman's method


J Med Chem 53: 3611-7 (2010)


Article DOI: 10.1021/jm1000024
BindingDB Entry DOI: 10.7270/Q2SJ1KS0
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50317192
PNG
(2-Methyl-9-[5-(2-methyl-beta-carboline-9-yl)pentyl...)
Show SMILES C[n+]1ccc2c(c1)n(CCCCCn1c3ccccc3c3cc[n+](C)cc13)c1ccccc21
Show InChI InChI=1S/C29H30N4/c1-30-18-14-24-22-10-4-6-12-26(22)32(28(24)20-30)16-8-3-9-17-33-27-13-7-5-11-23(27)25-15-19-31(2)21-29(25)33/h4-7,10-15,18-21H,3,8-9,16-17H2,1-2H3/q+2
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n/an/a 19n/an/an/an/an/an/a



Friedrich-Schiller-Universitat Jena

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE by modified Ellman's method


J Med Chem 53: 3611-7 (2010)


Article DOI: 10.1021/jm1000024
BindingDB Entry DOI: 10.7270/Q2SJ1KS0
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50160250
PNG
(CHEMBL3785472)
Show SMILES CCCCCCCNC(=O)Oc1ccc2N(C)C(N(Cc2c1)C(C)C)c1ccccc1
Show InChI InChI=1/C26H37N3O2/c1-5-6-7-8-12-17-27-26(30)31-23-15-16-24-22(18-23)19-29(20(2)3)25(28(24)4)21-13-10-9-11-14-21/h9-11,13-16,18,20,25H,5-8,12,17,19H2,1-4H3,(H,27,30)
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n/an/a 21n/an/an/an/an/an/a



Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Inhibition of equine serum butyrylcholinesterase using butyrylcholine iodide as substrate preincubated for 30 mins followed by substrate addition mea...


J Med Chem 59: 2067-82 (2016)


BindingDB Entry DOI: 10.7270/Q25H7J4D
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50160255
PNG
(CHEMBL3785189)
Show SMILES CCCCCCCNC(=O)Oc1ccc2N(C)C(N(C)Cc2c1)c1ccsc1
Show InChI InChI=1/C22H31N3O2S/c1-4-5-6-7-8-12-23-22(26)27-19-9-10-20-18(14-19)15-24(2)21(25(20)3)17-11-13-28-16-17/h9-11,13-14,16,21H,4-8,12,15H2,1-3H3,(H,23,26)
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Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Inhibition of equine serum butyrylcholinesterase using butyrylcholine iodide as substrate preincubated for 30 mins followed by substrate addition mea...


J Med Chem 59: 2067-82 (2016)


BindingDB Entry DOI: 10.7270/Q25H7J4D
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50317182
PNG
(2-[12-(beta-Carboline-2-ium-2-yl)dodecyl]-beta-car...)
Show SMILES C(CCCCCC[n+]1ccc2c(c1)[nH]c1ccccc21)CCCCC[n+]1ccc2c(c1)[nH]c1ccccc21
Show InChI InChI=1S/C34H38N4/c1(3-5-7-13-21-37-23-19-29-27-15-9-11-17-31(27)35-33(29)25-37)2-4-6-8-14-22-38-24-20-30-28-16-10-12-18-32(28)36-34(30)26-38/h9-12,15-20,23-26H,1-8,13-14,21-22H2/p+2
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n/an/a 22n/an/an/an/an/an/a



Friedrich-Schiller-Universitat Jena

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE by modified Ellman's method


J Med Chem 53: 3611-7 (2010)


Article DOI: 10.1021/jm1000024
BindingDB Entry DOI: 10.7270/Q2SJ1KS0
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50160077
PNG
(CHEMBL3785861)
Show SMILES CCCCCCCNC(=O)Oc1ccc2N(C)C(N(C)Cc2c1)c1cc[nH]c1
Show InChI InChI=1/C22H32N4O2/c1-4-5-6-7-8-12-24-22(27)28-19-9-10-20-18(14-19)16-25(2)21(26(20)3)17-11-13-23-15-17/h9-11,13-15,21,23H,4-8,12,16H2,1-3H3,(H,24,27)
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n/an/a 23n/an/an/an/an/an/a



Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Inhibition of equine serum butyrylcholinesterase using butyrylcholine iodide as substrate preincubated for 30 mins followed by substrate addition mea...


J Med Chem 59: 2067-82 (2016)


BindingDB Entry DOI: 10.7270/Q25H7J4D
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM50261345
PNG
(5-(1,2-Dithiolan-3-yl)-N-[8-(6,7,8,9,10,11-hexahyd...)
Show SMILES O=C(CCCCC1CCSS1)NCCCCCCCC\N=c1/n2CCCCCCc2nc2ccccc12
Show InChI InChI=1S/C30H46N4OS2/c35-29(19-11-8-15-25-20-24-36-37-25)31-21-12-4-1-2-5-13-22-32-30-26-16-9-10-17-27(26)33-28-18-7-3-6-14-23-34(28)30/h9-10,16-17,25H,1-8,11-15,18-24H2,(H,31,35)/b32-30-
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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)


Article DOI: 10.1016/j.bmc.2008.02.083
BindingDB Entry DOI: 10.7270/Q2Q81CV1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
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 23.6n/an/an/an/an/an/a



Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Inhibition of electric eel AchE by Ellman's assay


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


Article DOI: 10.1016/j.bmcl.2008.03.073
BindingDB Entry DOI: 10.7270/Q2M909KN
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM50261342
PNG
(CHEMBL469153 | N-(5-{[6-Chloro-2,3-dihydropyrrolo[...)
Show SMILES Clc1ccc2c(c1)nc1CCCn1\c2=N/CCCCCCNC(=O)CCCCC1CCSS1
Show InChI InChI=1S/C25H35ClN4OS2/c26-19-11-12-21-22(18-19)29-23-9-7-16-30(23)25(21)28-15-6-2-1-5-14-27-24(31)10-4-3-8-20-13-17-32-33-20/h11-12,18,20H,1-10,13-17H2,(H,27,31)/b28-25-
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n/an/a 26n/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)


Article DOI: 10.1016/j.bmc.2008.02.083
BindingDB Entry DOI: 10.7270/Q2Q81CV1
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM50377437
PNG
(CHEMBL255502)
Show SMILES COc1cc(\C=C\C(=O)NCCCNc2c3CCCCc3nc3ccccc23)ccc1O
Show InChI InChI=1S/C26H29N3O3/c1-32-24-17-18(11-13-23(24)30)12-14-25(31)27-15-6-16-28-26-19-7-2-4-9-21(19)29-22-10-5-3-8-20(22)26/h2,4,7,9,11-14,17,30H,3,5-6,8,10,15-16H2,1H3,(H,27,31)(H,28,29)/b14-12+
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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)


Article DOI: 10.1016/j.bmcl.2008.03.073
BindingDB Entry DOI: 10.7270/Q2M909KN
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50317193
PNG
(2-Methyl-9-[9-(2-methyl-1,2,3,4-tetrahydro-beta-ca...)
Show SMILES CN1CCc2c(C1)n(CCCCCCCCCn1c3CN(C)CCc3c3ccccc13)c1ccccc21
Show InChI InChI=1S/C33H44N4/c1-34-22-18-28-26-14-8-10-16-30(26)36(32(28)24-34)20-12-6-4-3-5-7-13-21-37-31-17-11-9-15-27(31)29-19-23-35(2)25-33(29)37/h8-11,14-17H,3-7,12-13,18-25H2,1-2H3
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Friedrich-Schiller-Universitat Jena

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by modified Ellman's method


J Med Chem 53: 3611-7 (2010)


Article DOI: 10.1021/jm1000024
BindingDB Entry DOI: 10.7270/Q2SJ1KS0
More data for this
Ligand-Target Pair
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