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Compile Data Set for Download or QSAR

Found 559 hits with Last Name = 'wang' and Initial = 'xb'   
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
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50435960
PNG
(CHEMBL2391486)
Show SMILES Cc1cc(=O)oc2cc(OCCN3CCN(CC(=O)Nc4c5CCCCc5nc5ccccc45)CC3)ccc12
Show InChI InChI=1S/C31H34N4O4/c1-21-18-30(37)39-28-19-22(10-11-23(21)28)38-17-16-34-12-14-35(15-13-34)20-29(36)33-31-24-6-2-4-8-26(24)32-27-9-5-3-7-25(27)31/h2,4,6,8,10-11,18-19H,3,5,7,9,12-17,20H2,1H3,(H,32,33,36)
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81n/an/an/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Competitive inhibition of electric eel AChE using acetylthiocholine as substrate by Lineweaver-Burk plot analysis


Eur J Med Chem 64: 540-53 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.051
BindingDB Entry DOI: 10.7270/Q2H996KW
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50099601
PNG
(CHEMBL3343930)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C35H45N5O3/c1-35(2,3)43-34(42)40-31(22-24-23-38-28-17-9-6-14-25(24)28)33(41)37-21-13-5-4-12-20-36-32-26-15-7-10-18-29(26)39-30-19-11-8-16-27(30)32/h6-7,9-10,14-15,17-18,23,31,38H,4-5,8,11-13,16,19-22H2,1-3H3,(H,36,39)(H,37,41)(H,40,42)/t31-/m0/s1
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n/an/a 4.30n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using S-butyrylthiocholine chloride as substrate incubated for 6 mins by spectrophotometric method


Bioorg Med Chem 22: 6089-104 (2014)


Article DOI: 10.1016/j.bmc.2014.08.035
BindingDB Entry DOI: 10.7270/Q2M61N1Z
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50073116
PNG
(CHEMBL3410952)
Show SMILES Cc1c(C)c2OC(C)(CCc2c(C)c1O)C(=O)NCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C31H39N3O3/c1-19-20(2)29-22(21(3)28(19)35)15-16-31(4,37-29)30(36)33-18-10-9-17-32-27-23-11-5-7-13-25(23)34-26-14-8-6-12-24(26)27/h5,7,11,13,35H,6,8-10,12,14-18H2,1-4H3,(H,32,34)(H,33,36)
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n/an/a 5.20n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human serum BuChE using S-butyrylthiocholine iodide as substrate preincubated for 6 mins before substrate addition by Ellman's method


Eur J Med Chem 93: 42-50 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.058
BindingDB Entry DOI: 10.7270/Q2154JRN
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50099603
PNG
(CHEMBL3343932)
Show SMILES CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C32H39N5O2/c1-22(38)36-30(20-23-21-35-27-15-7-4-12-24(23)27)32(39)34-19-11-3-2-10-18-33-31-25-13-5-8-16-28(25)37-29-17-9-6-14-26(29)31/h4-5,7-8,12-13,15-16,21,30,35H,2-3,6,9-11,14,17-20H2,1H3,(H,33,37)(H,34,39)(H,36,38)/t30-/m0/s1
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n/an/a 6.20n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using S-butyrylthiocholine chloride as substrate incubated for 6 mins by spectrophotometric method


Bioorg Med Chem 22: 6089-104 (2014)


Article DOI: 10.1016/j.bmc.2014.08.035
BindingDB Entry DOI: 10.7270/Q2M61N1Z
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50099597
PNG
(CHEMBL3343926)
Show SMILES CC(C)(C)OC(=O)N1Cc2[nH]c3ccccc3c2C[C@H]1C(=O)NCCCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C36H45N5O3/c1-36(2,3)44-35(43)41-23-31-27(24-14-6-9-17-28(24)40-31)22-32(41)34(42)38-21-13-5-4-12-20-37-33-25-15-7-10-18-29(25)39-30-19-11-8-16-26(30)33/h6-7,9-10,14-15,17-18,32,40H,4-5,8,11-13,16,19-23H2,1-3H3,(H,37,39)(H,38,42)/t32-/m0/s1
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n/an/a 7.5n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using S-butyrylthiocholine chloride as substrate incubated for 6 mins by spectrophotometric method


Bioorg Med Chem 22: 6089-104 (2014)


Article DOI: 10.1016/j.bmc.2014.08.035
BindingDB Entry DOI: 10.7270/Q2M61N1Z
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50441841
PNG
(CHEMBL2436691)
Show SMILES COc1cc(OCCCN2CCN(CCCNc3c4CCCCc4nc4ccccc34)CC2)cc2occc(=O)c12
Show InChI InChI=1S/C33H40N4O4/c1-39-30-22-24(23-31-32(30)29(38)12-21-41-31)40-20-7-15-37-18-16-36(17-19-37)14-6-13-34-33-25-8-2-4-10-27(25)35-28-11-5-3-9-26(28)33/h2,4,8,10,12,21-23H,3,5-7,9,11,13-20H2,1H3,(H,34,35)
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n/an/a 8.40n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 6 mins followed by substrate addition by Ellmans method


Eur J Med Chem 69: 632-46 (2013)


Article DOI: 10.1016/j.ejmech.2013.09.024
BindingDB Entry DOI: 10.7270/Q2BP048V
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50073114
PNG
(CHEMBL3410954)
Show SMILES Cc1c(C)c2OC(C)(CCc2c(C)c1O)C(=O)NCCCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C33H43N3O3/c1-21-22(2)31-24(23(3)30(21)37)17-18-33(4,39-31)32(38)35-20-12-6-5-11-19-34-29-25-13-7-9-15-27(25)36-28-16-10-8-14-26(28)29/h7,9,13,15,37H,5-6,8,10-12,14,16-20H2,1-4H3,(H,34,36)(H,35,38)
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n/an/a 9.80n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 6 mins before substrate addition by Ellman's method


Eur J Med Chem 93: 42-50 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.058
BindingDB Entry DOI: 10.7270/Q2154JRN
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50441840
PNG
(CHEMBL2436692)
Show SMILES O=c1ccoc2cc(OCCCN3CCN(CCCNc4c5CCCCc5nc5ccccc45)CC3)ccc12
Show InChI InChI=1S/C32H38N4O3/c37-30-13-22-39-31-23-24(11-12-27(30)31)38-21-6-16-36-19-17-35(18-20-36)15-5-14-33-32-25-7-1-3-9-28(25)34-29-10-4-2-8-26(29)32/h1,3,7,9,11-13,22-23H,2,4-6,8,10,14-21H2,(H,33,34)
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n/an/a 10n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 6 mins followed by substrate addition by Ellmans method


Eur J Med Chem 69: 632-46 (2013)


Article DOI: 10.1016/j.ejmech.2013.09.024
BindingDB Entry DOI: 10.7270/Q2BP048V
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50073115
PNG
(CHEMBL3410953)
Show SMILES Cc1c(C)c2OC(C)(CCc2c(C)c1O)C(=O)NCCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C32H41N3O3/c1-20-21(2)30-23(22(3)29(20)36)16-17-32(4,38-30)31(37)34-19-11-5-10-18-33-28-24-12-6-8-14-26(24)35-27-15-9-7-13-25(27)28/h6,8,12,14,36H,5,7,9-11,13,15-19H2,1-4H3,(H,33,35)(H,34,37)
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n/an/a 10n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human serum BuChE using S-butyrylthiocholine iodide as substrate preincubated for 6 mins before substrate addition by Ellman's method


Eur J Med Chem 93: 42-50 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.058
BindingDB Entry DOI: 10.7270/Q2154JRN
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50099602
PNG
(CHEMBL3343931)
Show SMILES N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C30H37N5O/c31-25(19-21-20-34-26-14-6-3-11-22(21)26)30(36)33-18-10-2-1-9-17-32-29-23-12-4-7-15-27(23)35-28-16-8-5-13-24(28)29/h3-4,6-7,11-12,14-15,20,25,34H,1-2,5,8-10,13,16-19,31H2,(H,32,35)(H,33,36)/t25-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using S-butyrylthiocholine chloride as substrate incubated for 6 mins by spectrophotometric method


Bioorg Med Chem 22: 6089-104 (2014)


Article DOI: 10.1016/j.bmc.2014.08.035
BindingDB Entry DOI: 10.7270/Q2M61N1Z
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50441842
PNG
(CHEMBL2436690)
Show SMILES Oc1cc(OCCCN2CCN(CCCNc3c4CCCCc4nc4ccccc34)CC2)cc2occc(=O)c12
Show InChI InChI=1S/C32H38N4O4/c37-28-11-20-40-30-22-23(21-29(38)31(28)30)39-19-6-14-36-17-15-35(16-18-36)13-5-12-33-32-24-7-1-3-9-26(24)34-27-10-4-2-8-25(27)32/h1,3,7,9,11,20-22,38H,2,4-6,8,10,12-19H2,(H,33,34)
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n/an/a 15n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 6 mins followed by substrate addition by Ellmans method


Eur J Med Chem 69: 632-46 (2013)


Article DOI: 10.1016/j.ejmech.2013.09.024
BindingDB Entry DOI: 10.7270/Q2BP048V
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50073116
PNG
(CHEMBL3410952)
Show SMILES Cc1c(C)c2OC(C)(CCc2c(C)c1O)C(=O)NCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C31H39N3O3/c1-19-20(2)29-22(21(3)28(19)35)15-16-31(4,37-29)30(36)33-18-10-9-17-32-27-23-11-5-7-13-25(23)34-26-14-8-6-12-24(26)27/h5,7,11,13,35H,6,8-10,12,14-18H2,1-4H3,(H,32,34)(H,33,36)
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n/an/a 16n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using S-butyrylthiocholine iodide as substrate preincubated for 6 mins before substrate addition by Ellman's method


Eur J Med Chem 93: 42-50 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.058
BindingDB Entry DOI: 10.7270/Q2154JRN
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50073113
PNG
(CHEMBL3410955)
Show SMILES Cc1c(C)c2OC(C)(CCc2c(C)c1O)C(=O)NCCCCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C34H45N3O3/c1-22-23(2)32-25(24(3)31(22)38)18-19-34(4,40-32)33(39)36-21-13-7-5-6-12-20-35-30-26-14-8-10-16-28(26)37-29-17-11-9-15-27(29)30/h8,10,14,16,38H,5-7,9,11-13,15,17-21H2,1-4H3,(H,35,37)(H,36,39)
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n/an/a 19n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human serum BuChE using S-butyrylthiocholine iodide as substrate preincubated for 6 mins before substrate addition by Ellman's method


Eur J Med Chem 93: 42-50 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.058
BindingDB Entry DOI: 10.7270/Q2154JRN
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50073114
PNG
(CHEMBL3410954)
Show SMILES Cc1c(C)c2OC(C)(CCc2c(C)c1O)C(=O)NCCCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C33H43N3O3/c1-21-22(2)31-24(23(3)30(21)37)17-18-33(4,39-31)32(38)35-20-12-6-5-11-19-34-29-25-13-7-9-15-27(25)36-28-16-10-8-14-26(28)29/h7,9,13,15,37H,5-6,8,10-12,14,16-20H2,1-4H3,(H,34,36)(H,35,38)
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n/an/a 21n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human serum BuChE using S-butyrylthiocholine iodide as substrate preincubated for 6 mins before substrate addition by Ellman's method


Eur J Med Chem 93: 42-50 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.058
BindingDB Entry DOI: 10.7270/Q2154JRN
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50099599
PNG
(CHEMBL3343928)
Show SMILES CC1N([C@@H](Cc2c1[nH]c1ccccc21)C(=O)NCCCCCCNc1c2CCCCc2nc2ccccc12)C(=O)OC(C)(C)C
Show InChI InChI=1S/C37H47N5O3/c1-24-33-28(25-15-7-10-18-29(25)41-33)23-32(42(24)36(44)45-37(2,3)4)35(43)39-22-14-6-5-13-21-38-34-26-16-8-11-19-30(26)40-31-20-12-9-17-27(31)34/h7-8,10-11,15-16,18-19,24,32,41H,5-6,9,12-14,17,20-23H2,1-4H3,(H,38,40)(H,39,43)/t24?,32-/m0/s1
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n/an/a 22n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using S-butyrylthiocholine chloride as substrate incubated for 6 mins by spectrophotometric method


Bioorg Med Chem 22: 6089-104 (2014)


Article DOI: 10.1016/j.bmc.2014.08.035
BindingDB Entry DOI: 10.7270/Q2M61N1Z
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50099598
PNG
(CHEMBL3343927)
Show SMILES O=C(NCCCCCCNc1c2CCCCc2nc2ccccc12)[C@@H]1Cc2c(CN1)[nH]c1ccccc21
Show InChI InChI=1S/C31H37N5O/c37-31(28-19-24-21-11-3-6-14-25(21)36-29(24)20-34-28)33-18-10-2-1-9-17-32-30-22-12-4-7-15-26(22)35-27-16-8-5-13-23(27)30/h3-4,6-7,11-12,14-15,28,34,36H,1-2,5,8-10,13,16-20H2,(H,32,35)(H,33,37)/t28-/m0/s1
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n/an/a 22n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate incubated for 6 mins by spectrophotometric method


Bioorg Med Chem 22: 6089-104 (2014)


Article DOI: 10.1016/j.bmc.2014.08.035
BindingDB Entry DOI: 10.7270/Q2M61N1Z
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50073114
PNG
(CHEMBL3410954)
Show SMILES Cc1c(C)c2OC(C)(CCc2c(C)c1O)C(=O)NCCCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C33H43N3O3/c1-21-22(2)31-24(23(3)30(21)37)17-18-33(4,39-31)32(38)35-20-12-6-5-11-19-34-29-25-13-7-9-15-27(25)36-28-16-10-8-14-26(28)29/h7,9,13,15,37H,5-6,8,10-12,14,16-20H2,1-4H3,(H,34,36)(H,35,38)
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n/an/a 22n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using S-butyrylthiocholine iodide as substrate preincubated for 6 mins before substrate addition by Ellman's method


Eur J Med Chem 93: 42-50 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.058
BindingDB Entry DOI: 10.7270/Q2154JRN
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM8961
PNG
(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)
Show SMILES Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)
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n/an/a 23n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human serum BuChE using S-butyrylthiocholine iodide as substrate preincubated for 6 mins before substrate addition by Ellman's method


Eur J Med Chem 93: 42-50 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.058
BindingDB Entry DOI: 10.7270/Q2154JRN
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50073114
PNG
(CHEMBL3410954)
Show SMILES Cc1c(C)c2OC(C)(CCc2c(C)c1O)C(=O)NCCCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C33H43N3O3/c1-21-22(2)31-24(23(3)30(21)37)17-18-33(4,39-31)32(38)35-20-12-6-5-11-19-34-29-25-13-7-9-15-27(25)36-28-16-10-8-14-26(28)29/h7,9,13,15,37H,5-6,8,10-12,14,16-20H2,1-4H3,(H,34,36)(H,35,38)
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n/an/a 24n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated for 6 mins before substrate addition by Ellman's method


Eur J Med Chem 93: 42-50 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.058
BindingDB Entry DOI: 10.7270/Q2154JRN
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50441840
PNG
(CHEMBL2436692)
Show SMILES O=c1ccoc2cc(OCCCN3CCN(CCCNc4c5CCCCc5nc5ccccc45)CC3)ccc12
Show InChI InChI=1S/C32H38N4O3/c37-30-13-22-39-31-23-24(11-12-27(30)31)38-21-6-16-36-19-17-35(18-20-36)15-5-14-33-32-25-7-1-3-9-28(25)34-29-10-4-2-8-26(29)32/h1,3,7,9,11-13,22-23H,2,4-6,8,10,14-21H2,(H,33,34)
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n/an/a 26n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using S-butyrylcholinesterase iodide as substrate preincubated for 6 mins followed by substrate addition by Ellmans ...


Eur J Med Chem 69: 632-46 (2013)


Article DOI: 10.1016/j.ejmech.2013.09.024
BindingDB Entry DOI: 10.7270/Q2BP048V
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM8961
PNG
(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)
Show SMILES Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)
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n/an/a 30n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human serum BCHE preincubated for 6 mins followed by addition of S-butyrylcholine iodide as substrate by Ellman's method


Bioorg Med Chem 24: 4324-4338 (2016)


Article DOI: 10.1016/j.bmc.2016.07.025
BindingDB Entry DOI: 10.7270/Q2DV1MV0
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50204751
PNG
(CHEMBL3943450)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4F)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H28FNO3/c1-28-22-13-18-12-19(24(27)20(18)14-23(22)29-2)11-16-7-9-26(10-8-16)15-17-5-3-4-6-21(17)25/h3-6,13-14,16,19H,7-12,15H2,1-2H3
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n/an/a 32n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocytes AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up ...


Eur J Med Chem 123: 282-297 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.052
BindingDB Entry DOI: 10.7270/Q2ZW1NW5
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50099591
PNG
(CHEMBL3343922)
Show SMILES O=C(NCCCCCCNc1c2CCCCc2nc2ccccc12)c1cc2c(cn1)[nH]c1ccccc21
Show InChI InChI=1S/C31H33N5O/c37-31(28-19-24-21-11-3-6-14-25(21)36-29(24)20-34-28)33-18-10-2-1-9-17-32-30-22-12-4-7-15-26(22)35-27-16-8-5-13-23(27)30/h3-4,6-7,11-12,14-15,19-20,36H,1-2,5,8-10,13,16-18H2,(H,32,35)(H,33,37)
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n/an/a 32n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate incubated for 6 mins by spectrophotometric method


Bioorg Med Chem 22: 6089-104 (2014)


Article DOI: 10.1016/j.bmc.2014.08.035
BindingDB Entry DOI: 10.7270/Q2M61N1Z
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 35n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using S-butyrylthiocholine iodide as substrate preincubated for 6 mins before substrate addition by Ellman's method


Eur J Med Chem 93: 42-50 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.058
BindingDB Entry DOI: 10.7270/Q2154JRN
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50073112
PNG
(CHEMBL3410956)
Show SMILES Cc1c(C)c2OC(C)(CCc2c(C)c1O)C(=O)NCCCCCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C35H47N3O3/c1-23-24(2)33-26(25(3)32(23)39)19-20-35(4,41-33)34(40)37-22-14-8-6-5-7-13-21-36-31-27-15-9-11-17-29(27)38-30-18-12-10-16-28(30)31/h9,11,15,17,39H,5-8,10,12-14,16,18-22H2,1-4H3,(H,36,38)(H,37,40)
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n/an/a 35n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human serum BuChE using S-butyrylthiocholine iodide as substrate preincubated for 6 mins before substrate addition by Ellman's method


Eur J Med Chem 93: 42-50 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.058
BindingDB Entry DOI: 10.7270/Q2154JRN
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50073115
PNG
(CHEMBL3410953)
Show SMILES Cc1c(C)c2OC(C)(CCc2c(C)c1O)C(=O)NCCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C32H41N3O3/c1-20-21(2)30-23(22(3)29(20)36)16-17-32(4,38-30)31(37)34-19-11-5-10-18-33-28-24-12-6-8-14-26(24)35-27-15-9-7-13-25(27)28/h6,8,12,14,36H,5,7,9-11,13,15-19H2,1-4H3,(H,33,35)(H,34,37)
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n/an/a 35n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using S-butyrylthiocholine iodide as substrate preincubated for 6 mins before substrate addition by Ellman's method


Eur J Med Chem 93: 42-50 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.058
BindingDB Entry DOI: 10.7270/Q2154JRN
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50441841
PNG
(CHEMBL2436691)
Show SMILES COc1cc(OCCCN2CCN(CCCNc3c4CCCCc4nc4ccccc34)CC2)cc2occc(=O)c12
Show InChI InChI=1S/C33H40N4O4/c1-39-30-22-24(23-31-32(30)29(38)12-21-41-31)40-20-7-15-37-18-16-36(17-19-37)14-6-13-34-33-25-8-2-4-10-27(25)35-28-11-5-3-9-26(28)33/h2,4,8,10,12,21-23H,3,5-7,9,11,13-20H2,1H3,(H,34,35)
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n/an/a 35n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using S-butyrylcholinesterase iodide as substrate preincubated for 6 mins followed by substrate addition by Ellmans ...


Eur J Med Chem 69: 632-46 (2013)


Article DOI: 10.1016/j.ejmech.2013.09.024
BindingDB Entry DOI: 10.7270/Q2BP048V
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM8960
PNG
((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3
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n/an/a 40n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel ACHE preincubated for 6 mins followed by addition of acetylcholine iodide as substrate by Ellman's method


Bioorg Med Chem 24: 4324-4338 (2016)


Article DOI: 10.1016/j.bmc.2016.07.025
BindingDB Entry DOI: 10.7270/Q2DV1MV0
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50441844
PNG
(CHEMBL2436709)
Show SMILES Clc1ccc(cc1)-c1cc(=O)c2ccc(OCCCN3CCN(CCCNc4c5CCCCc5nc5ccccc45)CC3)cc2o1
Show InChI InChI=1S/C38H41ClN4O3/c39-28-13-11-27(12-14-28)36-26-35(44)32-16-15-29(25-37(32)46-36)45-24-6-19-43-22-20-42(21-23-43)18-5-17-40-38-30-7-1-3-9-33(30)41-34-10-4-2-8-31(34)38/h1,3,7,9,11-16,25-26H,2,4-6,8,10,17-24H2,(H,40,41)
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n/an/a 40n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 6 mins followed by substrate addition by Ellmans method


Eur J Med Chem 69: 632-46 (2013)


Article DOI: 10.1016/j.ejmech.2013.09.024
BindingDB Entry DOI: 10.7270/Q2BP048V
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50099598
PNG
(CHEMBL3343927)
Show SMILES O=C(NCCCCCCNc1c2CCCCc2nc2ccccc12)[C@@H]1Cc2c(CN1)[nH]c1ccccc21
Show InChI InChI=1S/C31H37N5O/c37-31(28-19-24-21-11-3-6-14-25(21)36-29(24)20-34-28)33-18-10-2-1-9-17-32-30-22-12-4-7-15-26(22)35-27-16-8-5-13-23(27)30/h3-4,6-7,11-12,14-15,28,34,36H,1-2,5,8-10,13,16-20H2,(H,32,35)(H,33,37)/t28-/m0/s1
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n/an/a 40n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using S-butyrylthiocholine chloride as substrate incubated for 6 mins by spectrophotometric method


Bioorg Med Chem 22: 6089-104 (2014)


Article DOI: 10.1016/j.bmc.2014.08.035
BindingDB Entry DOI: 10.7270/Q2M61N1Z
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50204754
PNG
(CHEMBL3985059)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccc(F)cc4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H28FNO3/c1-28-22-13-18-12-19(24(27)21(18)14-23(22)29-2)11-16-7-9-26(10-8-16)15-17-3-5-20(25)6-4-17/h3-6,13-14,16,19H,7-12,15H2,1-2H3
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n/an/a 41n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocytes AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up ...


Eur J Med Chem 123: 282-297 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.052
BindingDB Entry DOI: 10.7270/Q2ZW1NW5
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM8961
PNG
(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)
Show SMILES Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)
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n/an/a 41n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human serum BuChE using s-butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up to ...


Eur J Med Chem 123: 282-297 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.052
BindingDB Entry DOI: 10.7270/Q2ZW1NW5
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50073117
PNG
(CHEMBL3410951)
Show SMILES Cc1c(C)c2OC(C)(CCc2c(C)c1O)C(=O)NCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C29H35N3O3/c1-17-18(2)27-20(19(3)26(17)33)13-14-29(4,35-27)28(34)31-16-15-30-25-21-9-5-7-11-23(21)32-24-12-8-6-10-22(24)25/h5,7,9,11,33H,6,8,10,12-16H2,1-4H3,(H,30,32)(H,31,34)
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n/an/a 41n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using S-butyrylthiocholine iodide as substrate preincubated for 6 mins before substrate addition by Ellman's method


Eur J Med Chem 93: 42-50 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.058
BindingDB Entry DOI: 10.7270/Q2154JRN
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50099591
PNG
(CHEMBL3343922)
Show SMILES O=C(NCCCCCCNc1c2CCCCc2nc2ccccc12)c1cc2c(cn1)[nH]c1ccccc21
Show InChI InChI=1S/C31H33N5O/c37-31(28-19-24-21-11-3-6-14-25(21)36-29(24)20-34-28)33-18-10-2-1-9-17-32-30-22-12-4-7-15-26(22)35-27-16-8-5-13-23(27)30/h3-4,6-7,11-12,14-15,19-20,36H,1-2,5,8-10,13,16-18H2,(H,32,35)(H,33,37)
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n/an/a 41n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using S-butyrylthiocholine chloride as substrate incubated for 6 mins by spectrophotometric method


Bioorg Med Chem 22: 6089-104 (2014)


Article DOI: 10.1016/j.bmc.2014.08.035
BindingDB Entry DOI: 10.7270/Q2M61N1Z
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50099570
PNG
(CHEMBL3343885)
Show SMILES Cc1nc(cc2c3ccccc3[nH]c12)C(=O)NCCCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C32H35N5O/c1-21-30-25(22-12-4-7-15-26(22)37-30)20-29(35-21)32(38)34-19-11-3-2-10-18-33-31-23-13-5-8-16-27(23)36-28-17-9-6-14-24(28)31/h4-5,7-8,12-13,15-16,20,37H,2-3,6,9-11,14,17-19H2,1H3,(H,33,36)(H,34,38)
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n/an/a 41n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate incubated for 6 mins by spectrophotometric method


Bioorg Med Chem 22: 6089-104 (2014)


Article DOI: 10.1016/j.bmc.2014.08.035
BindingDB Entry DOI: 10.7270/Q2M61N1Z
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 42n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using S-butyrylthiocholine iodide as substrate preincubated for 6 mins prior to substrate addition measured at 60 to ...


Eur J Med Chem 64: 540-53 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.051
BindingDB Entry DOI: 10.7270/Q2H996KW
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50204751
PNG
(CHEMBL3943450)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4F)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H28FNO3/c1-28-22-13-18-12-19(24(27)20(18)14-23(22)29-2)11-16-7-9-26(10-8-16)15-17-5-3-4-6-21(17)25/h3-6,13-14,16,19H,7-12,15H2,1-2H3
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n/an/a 43n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up to 3 m...


Eur J Med Chem 123: 282-297 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.052
BindingDB Entry DOI: 10.7270/Q2ZW1NW5
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50441842
PNG
(CHEMBL2436690)
Show SMILES Oc1cc(OCCCN2CCN(CCCNc3c4CCCCc4nc4ccccc34)CC2)cc2occc(=O)c12
Show InChI InChI=1S/C32H38N4O4/c37-28-11-20-40-30-22-23(21-29(38)31(28)30)39-19-6-14-36-17-15-35(16-18-36)13-5-12-33-32-24-7-1-3-9-26(24)34-27-10-4-2-8-25(27)32/h1,3,7,9,11,20-22,38H,2,4-6,8,10,12-19H2,(H,33,34)
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n/an/a 45n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using S-butyrylcholinesterase iodide as substrate preincubated for 6 mins followed by substrate addition by Ellmans ...


Eur J Med Chem 69: 632-46 (2013)


Article DOI: 10.1016/j.ejmech.2013.09.024
BindingDB Entry DOI: 10.7270/Q2BP048V
More data for this
Ligand-Target Pair
Cholinesterase


(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 46n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using s-butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up to...


Eur J Med Chem 123: 282-297 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.052
BindingDB Entry DOI: 10.7270/Q2ZW1NW5
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM8960
PNG
((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3
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n/an/a 48n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocytes AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up ...


Eur J Med Chem 123: 282-297 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.052
BindingDB Entry DOI: 10.7270/Q2ZW1NW5
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 50n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine BCHE preincubated for 6 mins followed by addition of S-butyrylcholine iodide as substrate by Ellman's method


Bioorg Med Chem 24: 4324-4338 (2016)


Article DOI: 10.1016/j.bmc.2016.07.025
BindingDB Entry DOI: 10.7270/Q2DV1MV0
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 50n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using S-butyrylcholinesterase iodide as substrate preincubated for 6 mins followed by substrate addition by Ellmans ...


Eur J Med Chem 69: 632-46 (2013)


Article DOI: 10.1016/j.ejmech.2013.09.024
BindingDB Entry DOI: 10.7270/Q2BP048V
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM8960
PNG
((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3
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n/an/a 51n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up to 3 m...


Eur J Med Chem 123: 282-297 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.052
BindingDB Entry DOI: 10.7270/Q2ZW1NW5
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 51n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using S-butyrylthiocholine chloride as substrate incubated for 6 mins by spectrophotometric method


Bioorg Med Chem 22: 6089-104 (2014)


Article DOI: 10.1016/j.bmc.2014.08.035
BindingDB Entry DOI: 10.7270/Q2M61N1Z
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50099602
PNG
(CHEMBL3343931)
Show SMILES N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C30H37N5O/c31-25(19-21-20-34-26-14-6-3-11-22(21)26)30(36)33-18-10-2-1-9-17-32-29-23-12-4-7-15-27(23)35-28-16-8-5-13-24(28)29/h3-4,6-7,11-12,14-15,20,25,34H,1-2,5,8-10,13,16-19,31H2,(H,32,35)(H,33,36)/t25-/m0/s1
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n/an/a 52n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate incubated for 6 mins by spectrophotometric method


Bioorg Med Chem 22: 6089-104 (2014)


Article DOI: 10.1016/j.bmc.2014.08.035
BindingDB Entry DOI: 10.7270/Q2M61N1Z
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50099596
PNG
(CHEMBL3343882)
Show SMILES CCc1nc(cc2c3ccccc3[nH]c12)C(=O)NCCCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C33H37N5O/c1-2-26-32-25(22-13-5-8-16-27(22)38-32)21-30(36-26)33(39)35-20-12-4-3-11-19-34-31-23-14-6-9-17-28(23)37-29-18-10-7-15-24(29)31/h5-6,8-9,13-14,16-17,21,38H,2-4,7,10-12,15,18-20H2,1H3,(H,34,37)(H,35,39)
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n/an/a 52n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate incubated for 6 mins by spectrophotometric method


Bioorg Med Chem 22: 6089-104 (2014)


Article DOI: 10.1016/j.bmc.2014.08.035
BindingDB Entry DOI: 10.7270/Q2M61N1Z
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50204831
PNG
(CHEMBL3927363)
Show SMILES COc1cc2CC(CC3CCN(Cc4cccc(F)c4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H28FNO3/c1-28-22-13-18-12-19(24(27)21(18)14-23(22)29-2)10-16-6-8-26(9-7-16)15-17-4-3-5-20(25)11-17/h3-5,11,13-14,16,19H,6-10,12,15H2,1-2H3
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n/an/a 54n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocytes AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up ...


Eur J Med Chem 123: 282-297 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.052
BindingDB Entry DOI: 10.7270/Q2ZW1NW5
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 54n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using S-butyrylthiocholine iodide as substrate incubated for 6 mins prior to substrate addition measured after 60 to...


Bioorg Med Chem Lett 23: 2636-41 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.095
BindingDB Entry DOI: 10.7270/Q2571DD9
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50073117
PNG
(CHEMBL3410951)
Show SMILES Cc1c(C)c2OC(C)(CCc2c(C)c1O)C(=O)NCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C29H35N3O3/c1-17-18(2)27-20(19(3)26(17)33)13-14-29(4,35-27)28(34)31-16-15-30-25-21-9-5-7-11-23(21)32-24-12-8-6-10-22(24)25/h5,7,9,11,33H,6,8,10,12-16H2,1-4H3,(H,30,32)(H,31,34)
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n/an/a 56n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human serum BuChE using S-butyrylthiocholine iodide as substrate preincubated for 6 mins before substrate addition by Ellman's method


Eur J Med Chem 93: 42-50 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.058
BindingDB Entry DOI: 10.7270/Q2154JRN
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50187201
PNG
(CHEMBL3824248)
Show SMILES O=C(CCc1c[nH]c2ccccc12)NCCC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C25H31N3O/c29-25(11-10-22-18-27-24-9-5-4-8-23(22)24)26-15-12-20-13-16-28(17-14-20)19-21-6-2-1-3-7-21/h1-9,18,20,27H,10-17,19H2,(H,26,29)
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n/an/a 56n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human serum BCHE preincubated for 6 mins followed by addition of S-butyrylcholine iodide as substrate by Ellman's method


Bioorg Med Chem 24: 4324-4338 (2016)


Article DOI: 10.1016/j.bmc.2016.07.025
BindingDB Entry DOI: 10.7270/Q2DV1MV0
More data for this
Ligand-Target Pair
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