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Compile Data Set for Download or QSAR

Found 2409 hits Enz. Inhib. hit(s) with Target = 'Cholinesterase'   
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
Cholinesterase


(Equus caballus)
BDBM50393864
PNG
(CHEMBL2158116)
Show SMILES CCN(CCCNc1c2CCCCc2nc2ccccc12)CC(=O)Nc1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C29H33N5OS/c1-2-34(19-27(35)33-29-32-26(20-36-29)21-11-4-3-5-12-21)18-10-17-30-28-22-13-6-8-15-24(22)31-25-16-9-7-14-23(25)28/h3-6,8,11-13,15,20H,2,7,9-10,14,16-19H2,1H3,(H,30,31)(H,32,33,35)
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n/an/a 0.0447n/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butylthiocholine chloride substrate incubated for 5 mins before substrate addition measured at 3 min interval ...


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


(Equus caballus)
BDBM50380537
PNG
(CHEMBL2019030)
Show SMILES O=C(NCCCCCCCCCCNc1c2CCCCc2nc2ccccc12)c1cc(=O)c2ccccc2o1
Show InChI InChI=1S/C33H39N3O3/c37-29-23-31(39-30-20-12-9-17-26(29)30)33(38)35-22-14-6-4-2-1-3-5-13-21-34-32-24-15-7-10-18-27(24)36-28-19-11-8-16-25(28)32/h7,9-10,12,15,17-18,20,23H,1-6,8,11,13-14,16,19,21-22H2,(H,34,36)(H,35,38)
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n/an/a 0.180n/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Inhibition of horse serum BChE by Ellman's method


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


(Equus caballus)
BDBM50380541
PNG
(CHEMBL2019032)
Show SMILES Clc1ccc2c(NCCCCCCCCCCNC(=O)c3cc(=O)c4ccccc4o3)c3CCCCc3nc2c1
Show InChI InChI=1S/C33H38ClN3O3/c34-23-17-18-25-28(21-23)37-27-15-9-7-13-24(27)32(25)35-19-11-5-3-1-2-4-6-12-20-36-33(39)31-22-29(38)26-14-8-10-16-30(26)40-31/h8,10,14,16-18,21-22H,1-7,9,11-13,15,19-20H2,(H,35,37)(H,36,39)
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n/an/a 0.180n/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Inhibition of horse serum BChE by Ellman's method


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


(Equus caballus)
BDBM50380559
PNG
(CHEMBL2019048)
Show SMILES COc1cc(O)c2c(c1)oc(cc2=O)C(=O)NCCCCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12
Show InChI InChI=1S/C34H40ClN3O5/c1-42-23-19-28(39)32-29(40)21-31(43-30(32)20-23)34(41)37-17-11-7-5-3-2-4-6-10-16-36-33-24-12-8-9-13-26(24)38-27-18-22(35)14-15-25(27)33/h14-15,18-21,39H,2-13,16-17H2,1H3,(H,36,38)(H,37,41)
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n/an/a 0.180n/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Inhibition of horse serum BChE by Ellman's method


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


(Equus caballus)
BDBM50380536
PNG
(CHEMBL2019031)
Show SMILES O=C(NCCCCCCCCCCCCNc1c2CCCCc2nc2ccccc12)c1cc(=O)c2ccccc2o1
Show InChI InChI=1S/C35H43N3O3/c39-31-25-33(41-32-22-14-11-19-28(31)32)35(40)37-24-16-8-6-4-2-1-3-5-7-15-23-36-34-26-17-9-12-20-29(26)38-30-21-13-10-18-27(30)34/h9,11-12,14,17,19-20,22,25H,1-8,10,13,15-16,18,21,23-24H2,(H,36,38)(H,37,40)
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n/an/a 0.25n/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Inhibition of horse serum BChE by Ellman's method


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


(Equus caballus)
BDBM50380553
PNG
(CHEMBL2019034)
Show SMILES COc1ccc2oc(cc(=O)c2c1)C(=O)NCCCCCCCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C34H41N3O4/c1-40-24-18-19-31-27(22-24)30(38)23-32(41-31)34(39)36-21-13-7-5-3-2-4-6-12-20-35-33-25-14-8-10-16-28(25)37-29-17-11-9-15-26(29)33/h8,10,14,16,18-19,22-23H,2-7,9,11-13,15,17,20-21H2,1H3,(H,35,37)(H,36,39)
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n/an/a 0.320n/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Inhibition of horse serum BChE by Ellman's method


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


(Equus caballus)
BDBM50380542
PNG
(CHEMBL2019037)
Show SMILES COc1cc(OC)c2c(c1)oc(cc2=O)C(=O)NCCCCCCCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C35H43N3O5/c1-41-24-21-30(42-2)33-29(39)23-32(43-31(33)22-24)35(40)37-20-14-8-6-4-3-5-7-13-19-36-34-25-15-9-11-17-27(25)38-28-18-12-10-16-26(28)34/h9,11,15,17,21-23H,3-8,10,12-14,16,18-20H2,1-2H3,(H,36,38)(H,37,40)
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n/an/a 0.330n/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Inhibition of horse serum BChE by Ellman's method


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


(Equus caballus)
BDBM50380546
PNG
(CHEMBL2019047)
Show SMILES Oc1cc(O)c2c(c1)oc(cc2=O)C(=O)NCCCCCCCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C33H39N3O5/c37-22-19-27(38)31-28(39)21-30(41-29(31)20-22)33(40)35-18-12-6-4-2-1-3-5-11-17-34-32-23-13-7-9-15-25(23)36-26-16-10-8-14-24(26)32/h7,9,13,15,19-21,37-38H,1-6,8,10-12,14,16-18H2,(H,34,36)(H,35,40)
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n/an/a 0.350n/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Inhibition of horse serum BChE by Ellman's method


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


(Equus caballus)
BDBM50393868
PNG
(CHEMBL2158112)
Show SMILES O=C(CCC(=O)Nc1nc(cs1)-c1ccccc1)NCCCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C32H37N5O2S/c38-29(18-19-30(39)37-32-36-28(22-40-32)23-12-4-3-5-13-23)33-20-10-1-2-11-21-34-31-24-14-6-8-16-26(24)35-27-17-9-7-15-25(27)31/h3-6,8,12-14,16,22H,1-2,7,9-11,15,17-21H2,(H,33,38)(H,34,35)(H,36,37,39)
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n/an/a 0.355n/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butylthiocholine chloride substrate incubated for 5 mins before substrate addition measured at 3 min interval ...


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


(Equus caballus)
BDBM50380552
PNG
(CHEMBL2019035)
Show SMILES COc1ccc2oc(cc(=O)c2c1)C(=O)NCCCCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12
Show InChI InChI=1S/C34H40ClN3O4/c1-41-24-15-17-31-27(21-24)30(39)22-32(42-31)34(40)37-19-11-7-5-3-2-4-6-10-18-36-33-25-12-8-9-13-28(25)38-29-20-23(35)14-16-26(29)33/h14-17,20-22H,2-13,18-19H2,1H3,(H,36,38)(H,37,40)
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n/an/a 0.430n/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Inhibition of horse serum BChE by Ellman's method


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


(Equus caballus)
BDBM50393858
PNG
(CHEMBL2158122)
Show SMILES CCN(CCCNc1c2CCCCc2nc2ccccc12)CCC(=O)Nc1nc(cs1)-c1ccc(OC)cc1
Show InChI InChI=1S/C31H37N5O2S/c1-3-36(20-17-29(37)35-31-34-28(21-39-31)22-13-15-23(38-2)16-14-22)19-8-18-32-30-24-9-4-6-11-26(24)33-27-12-7-5-10-25(27)30/h4,6,9,11,13-16,21H,3,5,7-8,10,12,17-20H2,1-2H3,(H,32,33)(H,34,35,37)
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n/an/a 0.479n/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butylthiocholine chloride substrate incubated for 5 mins before substrate addition measured at 3 min interval ...


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


(Equus caballus)
BDBM50114361
PNG
(CHEMBL3604192)
Show SMILES Cl.CN(C)c1ccc(cc1)C(=O)NCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C24H28N4O.ClH/c1-28(2)18-13-11-17(12-14-18)24(29)26-16-15-25-23-19-7-3-5-9-21(19)27-22-10-6-4-8-20(22)23;/h3,5,7,9,11-14H,4,6,8,10,15-16H2,1-2H3,(H,25,27)(H,26,29);1H
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n/an/a 0.5n/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using ATC iodide substrate by Ellman's assay


Bioorg Med Chem 23: 5610-8 (2015)

More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus)
BDBM50380539
PNG
(CHEMBL2019028)
Show SMILES O=C(NCCCCCCCCNc1c2CCCCc2nc2ccccc12)c1cc(=O)c2ccccc2o1
Show InChI InChI=1S/C31H35N3O3/c35-27-21-29(37-28-18-10-7-15-24(27)28)31(36)33-20-12-4-2-1-3-11-19-32-30-22-13-5-8-16-25(22)34-26-17-9-6-14-23(26)30/h5,7-8,10,13,15-16,18,21H,1-4,6,9,11-12,14,17,19-20H2,(H,32,34)(H,33,36)
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n/an/a 0.5n/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Inhibition of horse serum BChE by Ellman's method


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


(Equus caballus)
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


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


(Equus caballus)
BDBM50393867
PNG
(CHEMBL2158113)
Show SMILES O=C(CCCC(=O)Nc1nc(cs1)-c1ccccc1)NCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C31H35N5O2S/c37-28(17-10-18-29(38)36-31-35-27(21-39-31)22-11-2-1-3-12-22)32-19-8-9-20-33-30-23-13-4-6-15-25(23)34-26-16-7-5-14-24(26)30/h1-4,6,11-13,15,21H,5,7-10,14,16-20H2,(H,32,37)(H,33,34)(H,35,36,38)
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n/an/a 0.550n/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butylthiocholine chloride substrate incubated for 5 mins before substrate addition measured at 3 min interval ...


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


(Equus caballus)
BDBM50380543
PNG
(CHEMBL2019040)
Show SMILES COc1cc2oc(cc(=O)c2cc1OC)C(=O)NCCCCCCCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C35H43N3O5/c1-41-31-21-26-29(39)22-33(43-30(26)23-32(31)42-2)35(40)37-20-14-8-6-4-3-5-7-13-19-36-34-24-15-9-11-17-27(24)38-28-18-12-10-16-25(28)34/h9,11,15,17,21-23H,3-8,10,12-14,16,18-20H2,1-2H3,(H,36,38)(H,37,40)
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n/an/a 0.550n/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Inhibition of horse serum BChE by Ellman's method


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


(Equus caballus)
BDBM50380538
PNG
(CHEMBL2019029)
Show SMILES O=C(NCCCCCCCCCNc1c2CCCCc2nc2ccccc12)c1cc(=O)c2ccccc2o1
Show InChI InChI=1S/C32H37N3O3/c36-28-22-30(38-29-19-11-8-16-25(28)29)32(37)34-21-13-5-3-1-2-4-12-20-33-31-23-14-6-9-17-26(23)35-27-18-10-7-15-24(27)31/h6,8-9,11,14,16-17,19,22H,1-5,7,10,12-13,15,18,20-21H2,(H,33,35)(H,34,37)
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n/an/a 0.580n/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Inhibition of horse serum BChE by Ellman's method


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


(Equus caballus)
BDBM50433319
PNG
(CHEMBL2376477)
Show SMILES CC(C(=O)NCCCCCCNc1c2CCCCc2nc2ccccc12)c1ccc(c(F)c1)-c1ccc(OCCCCCCO[N+]([O-])=O)cc1
Show InChI InChI=1S/C40H49FN4O5/c1-29(31-20-23-33(36(41)28-31)30-18-21-32(22-19-30)49-26-12-4-5-13-27-50-45(47)48)40(46)43-25-11-3-2-10-24-42-39-34-14-6-8-16-37(34)44-38-17-9-7-15-35(38)39/h6,8,14,16,18-23,28-29H,2-5,7,9-13,15,17,24-27H2,1H3,(H,42,44)(H,43,46)
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n/an/a 0.600n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using acetylcholine as substrate preincubated for 5 mins prior to substrate addition measured after 2 mins by Ellman'...


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


(Equus caballus)
BDBM50393870
PNG
(CHEMBL2158110)
Show SMILES O=C(CCC(=O)Nc1nc(cs1)-c1ccccc1)NCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C30H33N5O2S/c36-27(16-17-28(37)35-30-34-26(20-38-30)21-10-2-1-3-11-21)31-18-8-9-19-32-29-22-12-4-6-14-24(22)33-25-15-7-5-13-23(25)29/h1-4,6,10-12,14,20H,5,7-9,13,15-19H2,(H,31,36)(H,32,33)(H,34,35,37)
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n/an/a 0.603n/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butylthiocholine chloride substrate incubated for 5 mins before substrate addition measured at 3 min interval ...


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


(Equus caballus)
BDBM50114368
PNG
(CHEMBL3604199)
Show SMILES Cl.CN(C)c1ccc(cc1)C(=O)NCCCCCCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C31H42N4O.ClH/c1-35(2)25-20-18-24(19-21-25)31(36)33-23-13-7-5-3-4-6-12-22-32-30-26-14-8-10-16-28(26)34-29-17-11-9-15-27(29)30;/h8,10,14,16,18-21H,3-7,9,11-13,15,17,22-23H2,1-2H3,(H,32,34)(H,33,36);1H
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n/an/a 0.700n/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using ATC iodide substrate by Ellman's assay


Bioorg Med Chem 23: 5610-8 (2015)

More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus)
BDBM50114367
PNG
(CHEMBL3604198)
Show SMILES Cl.CN(C)c1ccc(cc1)C(=O)NCCCCCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C30H40N4O.ClH/c1-34(2)24-19-17-23(18-20-24)30(35)32-22-12-6-4-3-5-11-21-31-29-25-13-7-9-15-27(25)33-28-16-10-8-14-26(28)29;/h7,9,13,15,17-20H,3-6,8,10-12,14,16,21-22H2,1-2H3,(H,31,33)(H,32,35);1H
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n/an/a 0.700n/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using ATC iodide substrate by Ellman's assay


Bioorg Med Chem 23: 5610-8 (2015)

More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus)
BDBM50380562
PNG
(CHEMBL2019039)
Show SMILES COc1cc(OC)c2c(c1)oc(cc2=O)C(=O)NCCCCCCCCCCNc1c2CCCCc2nc2cc(Cl)cc(Cl)c12
Show InChI InChI=1S/C35H41Cl2N3O5/c1-43-23-19-29(44-2)33-28(41)21-31(45-30(33)20-23)35(42)39-16-12-8-6-4-3-5-7-11-15-38-34-24-13-9-10-14-26(24)40-27-18-22(36)17-25(37)32(27)34/h17-21H,3-16H2,1-2H3,(H,38,40)(H,39,42)
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n/an/a 0.75n/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Inhibition of horse serum BChE by Ellman's method


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


(Equus caballus)
BDBM50380550
PNG
(CHEMBL2019041)
Show SMILES COc1cc2oc(cc(=O)c2cc1OC)C(=O)NCCCCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12
Show InChI InChI=1S/C35H42ClN3O5/c1-42-31-20-26-29(40)21-33(44-30(26)22-32(31)43-2)35(41)38-18-12-8-6-4-3-5-7-11-17-37-34-24-13-9-10-14-27(24)39-28-19-23(36)15-16-25(28)34/h15-16,19-22H,3-14,17-18H2,1-2H3,(H,37,39)(H,38,41)
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n/an/a 0.850n/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Inhibition of horse serum BChE by Ellman's method


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


(Equus caballus)
BDBM50380544
PNG
(CHEMBL2019043)
Show SMILES Oc1ccc2oc(cc(=O)c2c1)C(=O)NCCCCCCCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C33H39N3O4/c37-23-17-18-30-26(21-23)29(38)22-31(40-30)33(39)35-20-12-6-4-2-1-3-5-11-19-34-32-24-13-7-9-15-27(24)36-28-16-10-8-14-25(28)32/h7,9,13,15,17-18,21-22,37H,1-6,8,10-12,14,16,19-20H2,(H,34,36)(H,35,39)
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n/an/a 1n/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Inhibition of horse serum BChE by Ellman's method


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


(Equus caballus)
BDBM50380551
PNG
(CHEMBL2019038)
Show SMILES COc1cc(OC)c2c(c1)oc(cc2=O)C(=O)NCCCCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12
Show InChI InChI=1S/C35H42ClN3O5/c1-42-24-20-30(43-2)33-29(40)22-32(44-31(33)21-24)35(41)38-18-12-8-6-4-3-5-7-11-17-37-34-25-13-9-10-14-27(25)39-28-19-23(36)15-16-26(28)34/h15-16,19-22H,3-14,17-18H2,1-2H3,(H,37,39)(H,38,41)
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n/an/a 1n/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Inhibition of horse serum BChE by Ellman's method


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


(Equus caballus)
BDBM50396122
PNG
(CHEMBL2171326)
Show SMILES COc1cc(\C=C\C(=O)NCCCCCCCCNc2c3CCCCc3nc3ccccc23)ccc1OCCCO[N+]([O-])=O
Show InChI InChI=1S/C34H44N4O6/c1-42-32-25-26(17-19-31(32)43-23-12-24-44-38(40)41)18-20-33(39)35-21-10-4-2-3-5-11-22-36-34-27-13-6-8-15-29(27)37-30-16-9-7-14-28(30)34/h6,8,13,15,17-20,25H,2-5,7,9-12,14,16,21-24H2,1H3,(H,35,39)(H,36,37)/b20-18+
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n/an/a 1n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate after 5 mins by Ellman's method


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


(Equus caballus)
BDBM50433318
PNG
(CHEMBL2376478)
Show SMILES CC(C(=O)NCCCCCCCCNc1c2CCCCc2nc2ccccc12)c1ccc(c(F)c1)-c1ccc(OCCO[N+]([O-])=O)cc1
Show InChI InChI=1S/C38H45FN4O5/c1-27(29-18-21-31(34(39)26-29)28-16-19-30(20-17-28)47-24-25-48-43(45)46)38(44)41-23-11-5-3-2-4-10-22-40-37-32-12-6-8-14-35(32)42-36-15-9-7-13-33(36)37/h6,8,12,14,16-21,26-27H,2-5,7,9-11,13,15,22-25H2,1H3,(H,40,42)(H,41,44)
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n/an/a 1n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using acetylcholine as substrate preincubated for 5 mins prior to substrate addition measured after 2 mins by Ellman'...


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


(Equus caballus)
BDBM50114365
PNG
(CHEMBL3604196)
Show SMILES Cl.CN(C)c1ccc(cc1)C(=O)NCCCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C28H36N4O.ClH/c1-32(2)22-17-15-21(16-18-22)28(33)30-20-10-4-3-9-19-29-27-23-11-5-7-13-25(23)31-26-14-8-6-12-24(26)27;/h5,7,11,13,15-18H,3-4,6,8-10,12,14,19-20H2,1-2H3,(H,29,31)(H,30,33);1H
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n/an/a 1.10n/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using ATC iodide substrate by Ellman's assay


Bioorg Med Chem 23: 5610-8 (2015)

More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus)
BDBM50433320
PNG
(CHEMBL2376476)
Show SMILES CC(C(=O)NCCCCCCNc1c2CCCCc2nc2ccccc12)c1ccc(c(F)c1)-c1ccc(OCCCCO[N+]([O-])=O)cc1
Show InChI InChI=1S/C38H45FN4O5/c1-27(29-18-21-31(34(39)26-29)28-16-19-30(20-17-28)47-24-10-11-25-48-43(45)46)38(44)41-23-9-3-2-8-22-40-37-32-12-4-6-14-35(32)42-36-15-7-5-13-33(36)37/h4,6,12,14,16-21,26-27H,2-3,5,7-11,13,15,22-25H2,1H3,(H,40,42)(H,41,44)
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n/an/a 1.30n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using acetylcholine as substrate preincubated for 5 mins prior to substrate addition measured after 2 mins by Ellman'...


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


(Equus caballus)
BDBM50433316
PNG
(CHEMBL2376480)
Show SMILES CC(C(=O)NCCCCCCCCNc1c2CCCCc2nc2ccccc12)c1ccc(c(F)c1)-c1ccc(OCCCCO[N+]([O-])=O)cc1
Show InChI InChI=1S/C40H49FN4O5/c1-29(31-20-23-33(36(41)28-31)30-18-21-32(22-19-30)49-26-12-13-27-50-45(47)48)40(46)43-25-11-5-3-2-4-10-24-42-39-34-14-6-8-16-37(34)44-38-17-9-7-15-35(38)39/h6,8,14,16,18-23,28-29H,2-5,7,9-13,15,17,24-27H2,1H3,(H,42,44)(H,43,46)
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n/an/a 1.30n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using acetylcholine as substrate preincubated for 5 mins prior to substrate addition measured after 2 mins by Ellman'...


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


(Equus caballus)
BDBM50396125
PNG
(CHEMBL2171323)
Show SMILES COc1cc(\C=C\C(=O)NCCCCCCNc2c3CCCCc3nc3ccccc23)ccc1OCCCCO[N+]([O-])=O
Show InChI InChI=1S/C33H42N4O6/c1-41-31-24-25(16-18-30(31)42-22-10-11-23-43-37(39)40)17-19-32(38)34-20-8-2-3-9-21-35-33-26-12-4-6-14-28(26)36-29-15-7-5-13-27(29)33/h4,6,12,14,16-19,24H,2-3,5,7-11,13,15,20-23H2,1H3,(H,34,38)(H,35,36)/b19-17+
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n/an/a 1.40n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate after 5 mins by Ellman's method


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


(Equus caballus)
BDBM50433315
PNG
(CHEMBL2376481)
Show SMILES CC(C(=O)NCCCCCCCCNc1c2CCCCc2nc2ccccc12)c1ccc(c(F)c1)-c1ccc(OCCCCCCO[N+]([O-])=O)cc1
Show InChI InChI=1S/C42H53FN4O5/c1-31(33-22-25-35(38(43)30-33)32-20-23-34(24-21-32)51-28-14-6-7-15-29-52-47(49)50)42(48)45-27-13-5-3-2-4-12-26-44-41-36-16-8-10-18-39(36)46-40-19-11-9-17-37(40)41/h8,10,16,18,20-25,30-31H,2-7,9,11-15,17,19,26-29H2,1H3,(H,44,46)(H,45,48)
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n/an/a 1.5n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using acetylcholine as substrate preincubated for 5 mins prior to substrate addition measured after 2 mins by Ellman'...


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


(Equus caballus)
BDBM50433317
PNG
(CHEMBL2376479)
Show SMILES CC(C(=O)NCCCCCCCCNc1c2CCCCc2nc2ccccc12)c1ccc(c(F)c1)-c1ccc(OCCCO[N+]([O-])=O)cc1
Show InChI InChI=1S/C39H47FN4O5/c1-28(30-19-22-32(35(40)27-30)29-17-20-31(21-18-29)48-25-12-26-49-44(46)47)39(45)42-24-11-5-3-2-4-10-23-41-38-33-13-6-8-15-36(33)43-37-16-9-7-14-34(37)38/h6,8,13,15,17-22,27-28H,2-5,7,9-12,14,16,23-26H2,1H3,(H,41,43)(H,42,45)
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n/an/a 1.60n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using acetylcholine as substrate preincubated for 5 mins prior to substrate addition measured after 2 mins by Ellman'...


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


(Equus caballus)
BDBM50396123
PNG
(CHEMBL2171325)
Show SMILES COc1cc(\C=C\C(=O)NCCCCCCCCNc2c3CCCCc3nc3ccccc23)ccc1OCCO[N+]([O-])=O
Show InChI InChI=1S/C33H42N4O6/c1-41-31-24-25(16-18-30(31)42-22-23-43-37(39)40)17-19-32(38)34-20-10-4-2-3-5-11-21-35-33-26-12-6-8-14-28(26)36-29-15-9-7-13-27(29)33/h6,8,12,14,16-19,24H,2-5,7,9-11,13,15,20-23H2,1H3,(H,34,38)(H,35,36)/b19-17+
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n/an/a 1.60n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate after 5 mins by Ellman's method


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


(Equus caballus)
BDBM50380540
PNG
(CHEMBL2019027)
Show SMILES O=C(NCCCCCCCNc1c2CCCCc2nc2ccccc12)c1cc(=O)c2ccccc2o1
Show InChI InChI=1S/C30H33N3O3/c34-26-20-28(36-27-17-9-6-14-23(26)27)30(35)32-19-11-3-1-2-10-18-31-29-21-12-4-7-15-24(21)33-25-16-8-5-13-22(25)29/h4,6-7,9,12,14-15,17,20H,1-3,5,8,10-11,13,16,18-19H2,(H,31,33)(H,32,35)
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n/an/a 1.80n/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Inhibition of horse serum BChE by Ellman's method


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


(Equus caballus)
BDBM50396121
PNG
(CHEMBL2171327)
Show SMILES COc1cc(\C=C\C(=O)NCCCCCCCCNc2c3CCCCc3nc3ccccc23)ccc1OCCCCO[N+]([O-])=O
Show InChI InChI=1S/C35H46N4O6/c1-43-33-26-27(18-20-32(33)44-24-12-13-25-45-39(41)42)19-21-34(40)36-22-10-4-2-3-5-11-23-37-35-28-14-6-8-16-30(28)38-31-17-9-7-15-29(31)35/h6,8,14,16,18-21,26H,2-5,7,9-13,15,17,22-25H2,1H3,(H,36,40)(H,37,38)/b21-19+
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n/an/a 1.80n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate after 5 mins by Ellman's method


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


(Equus caballus)
BDBM50396120
PNG
(CHEMBL2169901)
Show SMILES COc1cc(\C=C\C(=O)NCCCCCCCCNc2c3CCCCc3nc3ccccc23)ccc1OCCCCCCO[N+]([O-])=O
Show InChI InChI=1S/C37H50N4O6/c1-45-35-28-29(20-22-34(35)46-26-14-6-7-15-27-47-41(43)44)21-23-36(42)38-24-12-4-2-3-5-13-25-39-37-30-16-8-10-18-32(30)40-33-19-11-9-17-31(33)37/h8,10,16,18,20-23,28H,2-7,9,11-15,17,19,24-27H2,1H3,(H,38,42)(H,39,40)/b23-21+
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n/an/a 1.90n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate after 5 mins by Ellman's method


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


(Equus caballus)
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 2n/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE after 5 mins by Ellman's method


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


(Equus caballus)
BDBM50322767
PNG
(2-Methyl-7-{[8-(1,2,3,4-tetrahydroacridin-9-ylamin...)
Show SMILES Cc1ccc2ccc(CNCCCCCCCCNc3c4CCCCc4nc4ccccc34)c(O)c2n1
Show InChI InChI=1S/C32H40N4O/c1-23-16-17-24-18-19-25(32(37)30(24)35-23)22-33-20-10-4-2-3-5-11-21-34-31-26-12-6-8-14-28(26)36-29-15-9-7-13-27(29)31/h6,8,12,14,16-19,33,37H,2-5,7,9-11,13,15,20-22H2,1H3,(H,34,36)
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n/an/a 2n/an/an/an/an/an/a



Instituto de Quimica Medica

Curated by ChEMBL


Assay Description
Inhibition of horse serum BChE by Ellman's reaction


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


(Equus caballus)
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 2n/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Inhibition of BuChE in horse serum pre-incubated for 5 mins before addition of butyrylthiocholine iodide substrate by Ellman's assay


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


(Equus caballus)
BDBM50068350
PNG
(CHEMBL3402303)
Show SMILES C(CNC1CCN(Cc2ccccc2)CC1)Cn1ccc2ccccc12
Show InChI InChI=1S/C23H29N3/c1-2-7-20(8-3-1)19-25-16-12-22(13-17-25)24-14-6-15-26-18-11-21-9-4-5-10-23(21)26/h1-5,7-11,18,22,24H,6,12-17,19H2
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n/an/a 2n/an/an/an/an/an/a



Jagiellonian University

Curated by ChEMBL


Assay Description
Inhibition of horse serum BChE using butyrylthiocholine iodide as substrate preincubated for 5 mins by Ellman method


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


(Equus caballus)
BDBM50380545
PNG
(CHEMBL2019046)
Show SMILES COc1cc(O)c2c(c1)oc(cc2=O)C(=O)NCCCCCCCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C34H41N3O5/c1-41-23-20-28(38)32-29(39)22-31(42-30(32)21-23)34(40)36-19-13-7-5-3-2-4-6-12-18-35-33-24-14-8-10-16-26(24)37-27-17-11-9-15-25(27)33/h8,10,14,16,20-22,38H,2-7,9,11-13,15,17-19H2,1H3,(H,35,37)(H,36,40)
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n/an/a 2n/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Inhibition of horse serum BChE by Ellman's method


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


(Equus caballus)
BDBM50430730
PNG
(CHEMBL2333926)
Show SMILES C[C@H](Cc1ccc(OCCCCCCCCCCNc2c3CCCCc3nc3ccccc23)cc1)N(C)CC#C
Show InChI InChI=1S/C36H49N3O/c1-4-26-39(3)29(2)28-30-21-23-31(24-22-30)40-27-16-10-8-6-5-7-9-15-25-37-36-32-17-11-13-19-34(32)38-35-20-14-12-18-33(35)36/h1,11,13,17,19,21-24,29H,5-10,12,14-16,18,20,25-28H2,2-3H3,(H,37,38)/t29-/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of horse serum BChE using butylthiocholine chloride as substrate after 15 mins by Ellman's method


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


(Equus caballus)
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


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


(Equus caballus)
BDBM50396124
PNG
(CHEMBL2171324)
Show SMILES COc1cc(\C=C\C(=O)NCCCCCCNc2c3CCCCc3nc3ccccc23)ccc1OCCCCCCO[N+]([O-])=O
Show InChI InChI=1S/C35H46N4O6/c1-43-33-26-27(18-20-32(33)44-24-12-4-5-13-25-45-39(41)42)19-21-34(40)36-22-10-2-3-11-23-37-35-28-14-6-8-16-30(28)38-31-17-9-7-15-29(31)35/h6,8,14,16,18-21,26H,2-5,7,9-13,15,17,22-25H2,1H3,(H,36,40)(H,37,38)/b21-19+
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China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate after 5 mins by Ellman's method


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


(Equus caballus)
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


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


(Equus caballus)
BDBM50433322
PNG
(CHEMBL2376473)
Show SMILES CC(C(=O)NCCCCCCCCNc1c2CCCCc2nc2ccccc12)c1ccc(c(F)c1)-c1ccccc1
Show InChI InChI=1S/C36H42FN3O/c1-26(28-21-22-29(32(37)25-28)27-15-7-6-8-16-27)36(41)39-24-14-5-3-2-4-13-23-38-35-30-17-9-11-19-33(30)40-34-20-12-10-18-31(34)35/h6-9,11,15-17,19,21-22,25-26H,2-5,10,12-14,18,20,23-24H2,1H3,(H,38,40)(H,39,41)
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n/an/a 2.10n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using acetylcholine as substrate preincubated for 5 mins prior to substrate addition measured after 2 mins by Ellman'...


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


(Equus caballus)
BDBM50391536
PNG
(CHEMBL2147461)
Show SMILES CN(C)c1ccccc1CNCCCCCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C30H42N4/c1-34(2)29-20-12-7-15-24(29)23-31-21-13-5-3-4-6-14-22-32-30-25-16-8-10-18-27(25)33-28-19-11-9-17-26(28)30/h7-8,10,12,15-16,18,20,31H,3-6,9,11,13-14,17,19,21-23H2,1-2H3,(H,32,33)
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n/an/a 2.11n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butylthiocholine chloride as substrate preincubated for 15 mins by Ellman's method


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


(Equus caballus)
BDBM50433321
PNG
(CHEMBL2376475)
Show SMILES CC(C(=O)NCCCCCCNc1c2CCCCc2nc2ccccc12)c1ccc(c(F)c1)-c1ccc(OCCCO[N+]([O-])=O)cc1
Show InChI InChI=1S/C37H43FN4O5/c1-26(28-17-20-30(33(38)25-28)27-15-18-29(19-16-27)46-23-10-24-47-42(44)45)37(43)40-22-9-3-2-8-21-39-36-31-11-4-6-13-34(31)41-35-14-7-5-12-32(35)36/h4,6,11,13,15-20,25-26H,2-3,5,7-10,12,14,21-24H2,1H3,(H,39,41)(H,40,43)
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n/an/a 2.40n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using acetylcholine as substrate preincubated for 5 mins prior to substrate addition measured after 2 mins by Ellman'...


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


(Equus caballus)
BDBM50433313
PNG
(CHEMBL2376474)
Show SMILES CC(C(=O)NCCCCCCNc1c2CCCCc2nc2ccccc12)c1ccc(c(F)c1)-c1ccc(OCCO[N+]([O-])=O)cc1
Show InChI InChI=1S/C36H41FN4O5/c1-25(27-16-19-29(32(37)24-27)26-14-17-28(18-15-26)45-22-23-46-41(43)44)36(42)39-21-9-3-2-8-20-38-35-30-10-4-6-12-33(30)40-34-13-7-5-11-31(34)35/h4,6,10,12,14-19,24-25H,2-3,5,7-9,11,13,20-23H2,1H3,(H,38,40)(H,39,42)
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n/an/a 2.5n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using acetylcholine as substrate preincubated for 5 mins prior to substrate addition measured after 2 mins by Ellman'...


Citation and Details
More data for this
Ligand-Target Pair
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