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Compile Data Set for Download or QSAR

Found 47 hits Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM11682'   
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
Cholinesterase


(Homo sapiens (Human))
BDBM11682
PNG
(2,3-dihydroxybutanedioic acid; 3-[(1S)-1-(dimethyl...)
Show SMILES CCN(C)C(=O)Oc1cccc(c1)[C@H](C)N(C)C |r|
Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
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n/an/a 14n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human serum BuChE using butyrylthiocholine iodide as substrate preincubated with enzyme for 10 mins followed by substrate addition and ...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116194
BindingDB Entry DOI: 10.7270/Q2154MTC
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM11682
PNG
(2,3-dihydroxybutanedioic acid; 3-[(1S)-1-(dimethyl...)
Show SMILES CCN(C)C(=O)Oc1cccc(c1)[C@H](C)N(C)C |r|
Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
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n/an/a 30n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of BChE (unknown origin)


Eur J Med Chem 156: 598-617 (2018)


Article DOI: 10.1016/j.ejmech.2018.07.033
BindingDB Entry DOI: 10.7270/Q27W6FW2
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM11682
PNG
(2,3-dihydroxybutanedioic acid; 3-[(1S)-1-(dimethyl...)
Show SMILES CCN(C)C(=O)Oc1cccc(c1)[C@H](C)N(C)C |r|
Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
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n/an/a 37n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human BuChE using S-butyrylthiocholine as substrate preincubated for 30 mins followed by substrate addition and measured after 25 mins ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113059
BindingDB Entry DOI: 10.7270/Q2KP85V3
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM11682
PNG
(2,3-dihydroxybutanedioic acid; 3-[(1S)-1-(dimethyl...)
Show SMILES CCN(C)C(=O)Oc1cccc(c1)[C@H](C)N(C)C |r|
Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
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n/an/a 58n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated with enzyme for 20 mins followed by substrate addition and...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113735
BindingDB Entry DOI: 10.7270/Q2H41W7X
More data for this
Ligand-Target Pair
Cholinesterase


(Mus musculus (Mouse))
BDBM11682
PNG
(2,3-dihydroxybutanedioic acid; 3-[(1S)-1-(dimethyl...)
Show SMILES CCN(C)C(=O)Oc1cccc(c1)[C@H](C)N(C)C |r|
Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
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n/an/a 58n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of mouse plasma BuChE using S-butyrylacetylthiocholine iodide as substrate measured after 30 mins by Ellman's method relative to control


Eur J Med Chem 168: 207-220 (2019)


Article DOI: 10.1016/j.ejmech.2019.02.053
BindingDB Entry DOI: 10.7270/Q2DN48JW
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM11682
PNG
(2,3-dihydroxybutanedioic acid; 3-[(1S)-1-(dimethyl...)
Show SMILES CCN(C)C(=O)Oc1cccc(c1)[C@H](C)N(C)C |r|
Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
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n/an/a 260n/an/an/an/an/an/a



Hu'nan University

Curated by ChEMBL


Assay Description
Inhibition of butyrylcholinesterase (unknown origin) using butyrylthiocholine iodide as substrate after 25 mins by Ellmann method


Eur J Med Chem 126: 810-822 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.003
BindingDB Entry DOI: 10.7270/Q2HH6N9M
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM11682
PNG
(2,3-dihydroxybutanedioic acid; 3-[(1S)-1-(dimethyl...)
Show SMILES CCN(C)C(=O)Oc1cccc(c1)[C@H](C)N(C)C |r|
Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
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n/an/a 300n/an/an/an/an/an/a



Instituto de Qu£mica M£dica (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human serum BChE using butyrylthiocholine as substrate by Ellman's assay


Eur J Med Chem 166: 90-107 (2019)


Article DOI: 10.1016/j.ejmech.2019.01.030
BindingDB Entry DOI: 10.7270/Q2VQ363K
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM11682
PNG
(2,3-dihydroxybutanedioic acid; 3-[(1S)-1-(dimethyl...)
Show SMILES CCN(C)C(=O)Oc1cccc(c1)[C@H](C)N(C)C |r|
Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
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n/an/a 300n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human BuChe using S-butyrylthiocholine iodide as substrate measured after 7 mins by Ellman's method


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113541
BindingDB Entry DOI: 10.7270/Q25D8WNM
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM11682
PNG
(2,3-dihydroxybutanedioic acid; 3-[(1S)-1-(dimethyl...)
Show SMILES CCN(C)C(=O)Oc1cccc(c1)[C@H](C)N(C)C |r|
Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
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n/an/a 301n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1039/d2md00087c
BindingDB Entry DOI: 10.7270/Q2W66QRK
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM11682
PNG
(2,3-dihydroxybutanedioic acid; 3-[(1S)-1-(dimethyl...)
Show SMILES CCN(C)C(=O)Oc1cccc(c1)[C@H](C)N(C)C |r|
Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
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n/an/a 301n/an/an/an/an/an/a



Alma Mater Studiorum University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human serum BuChE using acetylthiocholine iodide as substrate preincubated for 20 to 60 mins followed by substrate addition by Ellman's...


J Med Chem 59: 6387-406 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00609
BindingDB Entry DOI: 10.7270/Q21G0P6Q
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM11682
PNG
(2,3-dihydroxybutanedioic acid; 3-[(1S)-1-(dimethyl...)
Show SMILES CCN(C)C(=O)Oc1cccc(c1)[C@H](C)N(C)C |r|
Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
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n/an/a 301n/an/an/an/an/an/a



Julius Maximilian University W£rzburg

Curated by ChEMBL


Assay Description
Inhibition of human serum BChE using butyrylthiocholine iodide as substrate preincubated for 20 to 60 mins followed by substrate addition by Ellman's...


J Med Chem 62: 9116-9140 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01012
BindingDB Entry DOI: 10.7270/Q2M3301T
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM11682
PNG
(2,3-dihydroxybutanedioic acid; 3-[(1S)-1-(dimethyl...)
Show SMILES CCN(C)C(=O)Oc1cccc(c1)[C@H](C)N(C)C |r|
Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
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n/an/a 370n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of human BuChE using butyrylthiocholine as substrate after 1 min by Ellman's method


J Med Chem 61: 119-139 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01086
BindingDB Entry DOI: 10.7270/Q2S75JRJ
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM11682
PNG
(2,3-dihydroxybutanedioic acid; 3-[(1S)-1-(dimethyl...)
Show SMILES CCN(C)C(=O)Oc1cccc(c1)[C@H](C)N(C)C |r|
Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
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TBA



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


(Homo sapiens (Human))
BDBM11682
PNG
(2,3-dihydroxybutanedioic acid; 3-[(1S)-1-(dimethyl...)
Show SMILES CCN(C)C(=O)Oc1cccc(c1)[C@H](C)N(C)C |r|
Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
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n/an/a 380n/an/an/an/an/an/a



South China University of Technology

Curated by ChEMBL


Assay Description
Inhibition of human serum BChE using S-Butyrylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition by Ellman's met...


Bioorg Med Chem 25: 360-371 (2017)


Article DOI: 10.1016/j.bmc.2016.11.002
BindingDB Entry DOI: 10.7270/Q2NK3H15
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM11682
PNG
(2,3-dihydroxybutanedioic acid; 3-[(1S)-1-(dimethyl...)
Show SMILES CCN(C)C(=O)Oc1cccc(c1)[C@H](C)N(C)C |r|
Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
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n/an/a 495n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of equine BuChE using ACTI as substrate preincubated for 29 mins followed by substrate addition measured at 1 min intervals for 10 mins by...


J Med Chem 59: 7683-9 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00356
BindingDB Entry DOI: 10.7270/Q2959N29
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM11682
PNG
(2,3-dihydroxybutanedioic acid; 3-[(1S)-1-(dimethyl...)
Show SMILES CCN(C)C(=O)Oc1cccc(c1)[C@H](C)N(C)C |r|
Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
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TBA

Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated with enzyme for 20 mins followed by addition of substrate ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112273
BindingDB Entry DOI: 10.7270/Q2T157BP
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM11682
PNG
(2,3-dihydroxybutanedioic acid; 3-[(1S)-1-(dimethyl...)
Show SMILES CCN(C)C(=O)Oc1cccc(c1)[C@H](C)N(C)C |r|
Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
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n/an/a 560n/an/an/an/an/an/a



Anhui Medical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated with enzyme for 20 mins followed by substrate addition by ...


Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.111598
BindingDB Entry DOI: 10.7270/Q24F1V59
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM11682
PNG
(2,3-dihydroxybutanedioic acid; 3-[(1S)-1-(dimethyl...)
Show SMILES CCN(C)C(=O)Oc1cccc(c1)[C@H](C)N(C)C |r|
Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
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n/an/a 678n/an/an/an/an/an/a



University of Pisa

Curated by ChEMBL


Assay Description
Inhibition concentration against human adenosine kinase


Eur J Med Chem 141: 232-239 (2017)


Article DOI: 10.1016/j.ejmech.2017.10.006
BindingDB Entry DOI: 10.7270/Q2377C79
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM11682
PNG
(2,3-dihydroxybutanedioic acid; 3-[(1S)-1-(dimethyl...)
Show SMILES CCN(C)C(=O)Oc1cccc(c1)[C@H](C)N(C)C |r|
Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
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n/an/a 785n/an/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using S-butyrylthiocholine iodide as substrate preincubated for 60 mins followed by substrate addition and measured f...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115324
BindingDB Entry DOI: 10.7270/Q2VH5SDB
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM11682
PNG
(2,3-dihydroxybutanedioic acid; 3-[(1S)-1-(dimethyl...)
Show SMILES CCN(C)C(=O)Oc1cccc(c1)[C@H](C)N(C)C |r|
Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
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n/an/a 803n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human BuChE using ACTI as substrate incubated for 40 mins measured at 1 min intervals for 10 mins by Ellman's assay


J Med Chem 59: 7683-9 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00356
BindingDB Entry DOI: 10.7270/Q2959N29
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM11682
PNG
(2,3-dihydroxybutanedioic acid; 3-[(1S)-1-(dimethyl...)
Show SMILES CCN(C)C(=O)Oc1cccc(c1)[C@H](C)N(C)C |r|
Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Bezmialem Vakif University

Curated by ChEMBL


Assay Description
Inhibition of horse serum BuChE using butyrylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition by Ellman's meth...


Bioorg Med Chem 25: 1352-1363 (2017)


Article DOI: 10.1016/j.bmc.2016.12.037
BindingDB Entry DOI: 10.7270/Q2W95CC5
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM11682
PNG
(2,3-dihydroxybutanedioic acid; 3-[(1S)-1-(dimethyl...)
Show SMILES CCN(C)C(=O)Oc1cccc(c1)[C@H](C)N(C)C |r|
Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



Indian Institute of Technology (Banaras Hindu University)

Curated by ChEMBL


Assay Description
Inhibition of human serum butyrylcholinesterase using BTCI as substrate pre-incubated for 10 mins followed by substrate addition and measured for 6 m...


Eur J Med Chem 167: 510-524 (2019)


Article DOI: 10.1016/j.ejmech.2019.02.030
BindingDB Entry DOI: 10.7270/Q2JD5192
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM11682
PNG
(2,3-dihydroxybutanedioic acid; 3-[(1S)-1-(dimethyl...)
Show SMILES CCN(C)C(=O)Oc1cccc(c1)[C@H](C)N(C)C |r|
Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of equine serum BuChE using BTC as substrate after 15 mins by Ellman's method


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112265
BindingDB Entry DOI: 10.7270/Q2W099J0
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM11682
PNG
(2,3-dihydroxybutanedioic acid; 3-[(1S)-1-(dimethyl...)
Show SMILES CCN(C)C(=O)Oc1cccc(c1)[C@H](C)N(C)C |r|
Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
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n/an/a 1.14E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.129037
BindingDB Entry DOI: 10.7270/Q2W381DJ
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM11682
PNG
(2,3-dihydroxybutanedioic acid; 3-[(1S)-1-(dimethyl...)
Show SMILES CCN(C)C(=O)Oc1cccc(c1)[C@H](C)N(C)C |r|
Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
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n/an/a 1.22E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human BChE by Ellman's method


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115721
BindingDB Entry DOI: 10.7270/Q2J106T5
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM11682
PNG
(2,3-dihydroxybutanedioic acid; 3-[(1S)-1-(dimethyl...)
Show SMILES CCN(C)C(=O)Oc1cccc(c1)[C@H](C)N(C)C |r|
Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
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n/an/a 1.22E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human serum BChE using butyrylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by Ellman's metho...


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111707
BindingDB Entry DOI: 10.7270/Q2833WM3
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM11682
PNG
(2,3-dihydroxybutanedioic acid; 3-[(1S)-1-(dimethyl...)
Show SMILES CCN(C)C(=O)Oc1cccc(c1)[C@H](C)N(C)C |r|
Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



Nanyang Normal University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using S-butyrylthiocholine iodide as susbtrate preincubated for 6 mins followed by substrate addition measured up to...


Eur J Med Chem 178: 726-739 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.026
BindingDB Entry DOI: 10.7270/Q2668HJZ
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM11682
PNG
(2,3-dihydroxybutanedioic acid; 3-[(1S)-1-(dimethyl...)
Show SMILES CCN(C)C(=O)Oc1cccc(c1)[C@H](C)N(C)C |r|
Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
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n/an/a 1.32E+3n/an/an/an/an/an/a



Jamia Millia Islamia (Central University)

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE preincubated for 5 mins followed by addition of butyrylthiocholine iodide as substrate measured after 2 mins by Ellm...


Eur J Med Chem 119: 260-77 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.053
BindingDB Entry DOI: 10.7270/Q2319XT7
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM11682
PNG
(2,3-dihydroxybutanedioic acid; 3-[(1S)-1-(dimethyl...)
Show SMILES CCN(C)C(=O)Oc1cccc(c1)[C@H](C)N(C)C |r|
Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
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n/an/a 1.32E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114152
BindingDB Entry DOI: 10.7270/Q2445RKV
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM11682
PNG
(2,3-dihydroxybutanedioic acid; 3-[(1S)-1-(dimethyl...)
Show SMILES CCN(C)C(=O)Oc1cccc(c1)[C@H](C)N(C)C |r|
Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
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n/an/a 1.44E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human BuchE using butyrylthiocholine iodide as substrate preincubated for 30 mins followed by substrate addition by Ellman's method


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112282
BindingDB Entry DOI: 10.7270/Q29P35CF
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM11682
PNG
(2,3-dihydroxybutanedioic acid; 3-[(1S)-1-(dimethyl...)
Show SMILES CCN(C)C(=O)Oc1cccc(c1)[C@H](C)N(C)C |r|
Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
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n/an/a 1.51E+3n/an/an/an/an/an/a



Henan University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine chloride as substrate preincubated for 15 mins followed by substrate addition by Ellman's m...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115190
BindingDB Entry DOI: 10.7270/Q2FX7F1F
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM11682
PNG
(2,3-dihydroxybutanedioic acid; 3-[(1S)-1-(dimethyl...)
Show SMILES CCN(C)C(=O)Oc1cccc(c1)[C@H](C)N(C)C |r|
Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
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n/an/a 2.20E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine as substrate incubated for 5 mins followed by substrate addition and measured after 5 mins ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113783
BindingDB Entry DOI: 10.7270/Q21V5JSC
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM11682
PNG
(2,3-dihydroxybutanedioic acid; 3-[(1S)-1-(dimethyl...)
Show SMILES CCN(C)C(=O)Oc1cccc(c1)[C@H](C)N(C)C |r|
Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
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n/an/a 2.71E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human serum BuChE using butyrylthiocholine iodide as substrate preincubated with enzyme for 5 mins followed by substrate addition and m...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113735
BindingDB Entry DOI: 10.7270/Q2H41W7X
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM11682
PNG
(2,3-dihydroxybutanedioic acid; 3-[(1S)-1-(dimethyl...)
Show SMILES CCN(C)C(=O)Oc1cccc(c1)[C@H](C)N(C)C |r|
Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
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n/an/a 2.86E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of BuChE (unknown origin) preincubated for 30 mins followed by substrate addition acetylthiocholineiodide measured after 40 mins by Ellman...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112415
BindingDB Entry DOI: 10.7270/Q27P9344
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM11682
PNG
(2,3-dihydroxybutanedioic acid; 3-[(1S)-1-(dimethyl...)
Show SMILES CCN(C)C(=O)Oc1cccc(c1)[C@H](C)N(C)C |r|
Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
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n/an/a 3.60E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human serum BChE using acetylthiocholine iodide as substrate measured after 15 mins by Ellman's method


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111958
BindingDB Entry DOI: 10.7270/Q2FR0187
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM11682
PNG
(2,3-dihydroxybutanedioic acid; 3-[(1S)-1-(dimethyl...)
Show SMILES CCN(C)C(=O)Oc1cccc(c1)[C@H](C)N(C)C |r|
Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
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n/an/a 3.60E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human serum BuChE using acetylcholine iodide as substrate incubated for 15 mins by Ellman's method


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112265
BindingDB Entry DOI: 10.7270/Q2W099J0
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM11682
PNG
(2,3-dihydroxybutanedioic acid; 3-[(1S)-1-(dimethyl...)
Show SMILES CCN(C)C(=O)Oc1cccc(c1)[C@H](C)N(C)C |r|
Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
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n/an/a 4.30E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128574
BindingDB Entry DOI: 10.7270/Q22J6GXX
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM11682
PNG
(2,3-dihydroxybutanedioic acid; 3-[(1S)-1-(dimethyl...)
Show SMILES CCN(C)C(=O)Oc1cccc(c1)[C@H](C)N(C)C |r|
Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
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n/an/a 4.88E+3n/an/an/an/an/an/a


TBA



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


(Equus caballus (Horse))
BDBM11682
PNG
(2,3-dihydroxybutanedioic acid; 3-[(1S)-1-(dimethyl...)
Show SMILES CCN(C)C(=O)Oc1cccc(c1)[C@H](C)N(C)C |r|
Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
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n/an/a 5.50E+3n/an/an/an/an/an/a



Yogi Vemana University

Curated by ChEMBL


Assay Description
Inhibition of horse serum butyrylcholinesterase using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition m...


Eur J Med Chem 107: 219-32 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.046
BindingDB Entry DOI: 10.7270/Q2JW8HWF
More data for this
Ligand-Target Pair
Cholinesterase


(Canis lupus familiaris)
BDBM11682
PNG
(2,3-dihydroxybutanedioic acid; 3-[(1S)-1-(dimethyl...)
Show SMILES CCN(C)C(=O)Oc1cccc(c1)[C@H](C)N(C)C |r|
Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
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n/an/a 6.27E+3n/an/an/an/an/an/a



Hebei University

Curated by ChEMBL


Assay Description
Inhibition of dog serum BChE using butrylthiocholine iodide as substrate by spectrophotometry based Ellman's method


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.126985
BindingDB Entry DOI: 10.7270/Q2QR51QF
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM11682
PNG
(2,3-dihydroxybutanedioic acid; 3-[(1S)-1-(dimethyl...)
Show SMILES CCN(C)C(=O)Oc1cccc(c1)[C@H](C)N(C)C |r|
Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
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n/an/a 7.72E+3n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition measured after ...


Eur J Med Chem 125: 1200-1212 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.008
BindingDB Entry DOI: 10.7270/Q25X2CCQ
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM11682
PNG
(2,3-dihydroxybutanedioic acid; 3-[(1S)-1-(dimethyl...)
Show SMILES CCN(C)C(=O)Oc1cccc(c1)[C@H](C)N(C)C |r|
Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
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n/an/a 7.72E+3n/an/an/an/an/an/a



CSIR-Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE preincubated for 15 mins followed by substrate addition and measured after 15 mins by Ellman's method


Bioorg Med Chem 27: 895-930 (2019)


Article DOI: 10.1016/j.bmc.2019.01.025
BindingDB Entry DOI: 10.7270/Q2N87F3N
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM11682
PNG
(2,3-dihydroxybutanedioic acid; 3-[(1S)-1-(dimethyl...)
Show SMILES CCN(C)C(=O)Oc1cccc(c1)[C@H](C)N(C)C |r|
Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
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n/an/a 9.12E+3n/an/an/an/an/an/a



CSIR-Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human Cholinesterase


Bioorg Med Chem 27: 895-930 (2019)


Article DOI: 10.1016/j.bmc.2019.01.025
BindingDB Entry DOI: 10.7270/Q2N87F3N
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM11682
PNG
(2,3-dihydroxybutanedioic acid; 3-[(1S)-1-(dimethyl...)
Show SMILES CCN(C)C(=O)Oc1cccc(c1)[C@H](C)N(C)C |r|
Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Waterloo

Curated by ChEMBL


Assay Description
Inhibition of human BuChE using S-butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured for 60 to 30...


Eur J Med Chem 126: 823-843 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.005
BindingDB Entry DOI: 10.7270/Q2D220WF
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM11682
PNG
(2,3-dihydroxybutanedioic acid; 3-[(1S)-1-(dimethyl...)
Show SMILES CCN(C)C(=O)Oc1cccc(c1)[C@H](C)N(C)C |r|
Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
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US Patent
n/an/a 1.10E+4n/an/an/an/an/an/a



NOBEL ILAÇ SANAYII VE TICARET A.S.

US Patent


Assay Description
The potential of the compounds of the present invention to inhibit acetylcholinesterase and butyrylcholinesterase enzymes were tested according to th...


US Patent US9586925 (2017)


BindingDB Entry DOI: 10.7270/Q24Q7X1C
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM11682
PNG
(2,3-dihydroxybutanedioic acid; 3-[(1S)-1-(dimethyl...)
Show SMILES CCN(C)C(=O)Oc1cccc(c1)[C@H](C)N(C)C |r|
Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
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n/an/a 1.42E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01003
BindingDB Entry DOI: 10.7270/Q2J38XKF
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM11682
PNG
(2,3-dihydroxybutanedioic acid; 3-[(1S)-1-(dimethyl...)
Show SMILES CCN(C)C(=O)Oc1cccc(c1)[C@H](C)N(C)C |r|
Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
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n/an/an/a 1.15E+3n/an/an/an/an/a


TBA

Assay Description
Pseudo-irreversible inhibition of equine serum BuChE assessed as binding affinity in an equilibrium state using butyrylthiocholine iodide as substrat...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113735
BindingDB Entry DOI: 10.7270/Q2H41W7X
More data for this
Ligand-Target Pair