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Compile Data Set for Download or QSAR

Found 53 hits Enz. Inhib. hit(s) with all data for entry = 50012229   
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


(Equus caballus (Horse))
BDBM50555654
PNG
(CHEMBL4797435)
Show SMILES OCCN(Cc1nn(c2OS(=O)(=O)CCc12)-c1ccccc1F)Cc1ccc(Br)cc1
PDB

UniProtKB/SwissProt

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MCE
PC cid
PC sid
UniChem
Article
PubMed
24n/an/an/an/an/an/an/an/a


TBA

Assay Description
Mixed inhibition of equine serum BChE using butyrylthiolcholine iodide as substrate by Lineweaver-Burk plot analysis


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))
BDBM50555654
PNG
(CHEMBL4797435)
Show SMILES OCCN(Cc1nn(c2OS(=O)(=O)CCc12)-c1ccccc1F)Cc1ccc(Br)cc1
PDB

UniProtKB/SwissProt

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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.70n/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 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))
BDBM50555652
PNG
(CHEMBL4781328)
Show SMILES OCCN(Cc1nn(c2OS(=O)(=O)CCc12)-c1ccccc1F)Cc1ccc(F)cc1
PDB

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UniChem
Article
PubMed
n/an/a 8.30n/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 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))
BDBM50555667
PNG
(CHEMBL4759071)
Show SMILES CN(Cc1nn(c2OS(=O)(=O)CCc12)-c1ccccc1F)Cc1ccc(Cl)cc1
PDB

UniProtKB/SwissProt

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UniChem
Article
PubMed
n/an/a 20n/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 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
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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Article
PubMed
n/an/a 25n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant electric eel AChE using acetylthiocholine iodide as substrate preincubated with enzyme for 20 mins followed by addition of ...


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))
BDBM50555645
PNG
(CHEMBL4756580)
Show SMILES OCCN(Cc1nn(c2OS(=O)(=O)CCc12)-c1ccccc1F)Cc1ccccc1
PDB

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n/an/a 40n/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 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))
BDBM50555666
PNG
(CHEMBL4742141)
Show SMILES CN(Cc1nn(c2OS(=O)(=O)CCc12)-c1ccccc1F)Cc1ccc(F)cc1
PDB

UniProtKB/SwissProt

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n/an/a 40n/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 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))
BDBM50555664
PNG
(CHEMBL4761581)
Show SMILES CCN(Cc1nn(c2OS(=O)(=O)CCc12)-c1ccccc1F)Cc1ccc(Cl)cc1
PDB

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n/an/a 40n/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 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))
BDBM50555638
PNG
(CHEMBL4757326)
Show SMILES OCCN(Cc1nn(c2OS(=O)(=O)CCc12)-c1ccccc1Cl)Cc1ccccc1
PDB

UniProtKB/SwissProt

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UniChem
Article
PubMed
n/an/a 40n/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 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))
BDBM50555637
PNG
(CHEMBL4759540)
Show SMILES CCN(Cc1nn(c2OS(=O)(=O)CCc12)-c1ccccc1Cl)Cc1ccccc1
PDB

UniProtKB/SwissProt

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Article
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n/an/a 50n/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 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))
BDBM50555665
PNG
(CHEMBL4778650)
Show SMILES CCN(Cc1nn(c2OS(=O)(=O)CCc12)-c1ccccc1F)Cc1ccc(Br)cc1
PDB

UniProtKB/SwissProt

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UniChem
Article
PubMed
n/an/a 70n/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 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))
BDBM50555663
PNG
(CHEMBL4741858)
Show SMILES CCN(Cc1nn(c2OS(=O)(=O)CCc12)-c1ccccc1F)Cc1ccc(F)cc1
PDB

UniProtKB/SwissProt

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UniChem
Article
PubMed
n/an/a 70n/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 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))
BDBM50555668
PNG
(CHEMBL4776289)
Show SMILES CN(Cc1nn(c2OS(=O)(=O)CCc12)-c1ccccc1F)Cc1ccc(Br)cc1
PDB

UniProtKB/SwissProt

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UniChem
Article
PubMed
n/an/a 70n/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 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))
BDBM50555636
PNG
(CHEMBL4779234)
Show SMILES CN(Cc1nn(c2OS(=O)(=O)CCc12)-c1ccccc1Cl)Cc1ccccc1
PDB

UniProtKB/SwissProt

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PC sid
UniChem
Article
PubMed
n/an/a 70n/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 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))
BDBM50555643
PNG
(CHEMBL4742743)
Show SMILES CN(Cc1nn(c2OS(=O)(=O)CCc12)-c1ccccc1F)Cc1ccccc1
PDB

UniProtKB/SwissProt

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PC sid
UniChem
Article
PubMed
n/an/a 80n/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 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))
BDBM50555644
PNG
(CHEMBL4776663)
Show SMILES CCN(Cc1nn(c2OS(=O)(=O)CCc12)-c1ccccc1F)Cc1ccccc1
PDB

UniProtKB/SwissProt

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PC sid
UniChem
Article
PubMed
n/an/a 80n/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 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))
BDBM50555661
PNG
(CHEMBL4786037)
Show SMILES COCCN(Cc1nn(c2OS(=O)(=O)CCc12)-c1ccccc1F)Cc1ccc(Cl)cc1
PDB

UniProtKB/SwissProt

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Article
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n/an/a 90n/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 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))
BDBM50555649
PNG
(CHEMBL4746503)
Show SMILES OCCN(Cc1nn(c2OS(=O)(=O)CCc12)-c1ccccc1F)Cc1cccc(F)c1
PDB

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n/an/a 90n/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 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))
BDBM50555653
PNG
(CHEMBL4784647)
Show SMILES OCCN(Cc1nn(c2OS(=O)(=O)CCc12)-c1ccccc1F)Cc1ccc(Cl)cc1
PDB

UniProtKB/SwissProt

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PC sid
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Article
PubMed
n/an/a 90n/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 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))
BDBM50555655
PNG
(CHEMBL4761517)
Show SMILES OCCN(Cc1nn(c2OS(=O)(=O)CCc12)-c1ccccc1F)Cc1ccc(Cl)cc1Cl
PDB

UniProtKB/SwissProt

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PC sid
UniChem
Article
PubMed
n/an/a 90n/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 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))
BDBM50555660
PNG
(CHEMBL4764576)
Show SMILES COCCN(Cc1nn(c2OS(=O)(=O)CCc12)-c1ccccc1F)Cc1ccc(F)cc1
PDB

UniProtKB/SwissProt

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PC sid
UniChem
Article
PubMed
n/an/a 110n/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 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))
BDBM50555633
PNG
(CHEMBL4788705)
Show SMILES Fc1ccc(cc1)-c1nn(c2OS(=O)(=O)CCc12)-c1ccccc1Cl
PDB

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Article
PubMed
n/an/a 130n/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 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))
BDBM50528685
PNG
(CHEMBL4457213)
Show SMILES Fc1ccccc1-n1nc(C2CC2)c2CCS(=O)(=O)Oc12
Show InChI InChI=1S/C14H13FN2O3S/c15-11-3-1-2-4-12(11)17-14-10(7-8-21(18,19)20-14)13(16-17)9-5-6-9/h1-4,9H,5-8H2
PDB

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n/an/a 140n/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 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))
BDBM50555662
PNG
(CHEMBL4748616)
Show SMILES COCCN(Cc1nn(c2OS(=O)(=O)CCc12)-c1ccccc1F)Cc1ccc(Br)cc1
PDB

UniProtKB/SwissProt

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PC sid
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Article
PubMed
n/an/a 150n/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 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))
BDBM50555646
PNG
(CHEMBL4747807)
Show SMILES Fc1ccccc1-n1nc(CN2CCOCC2)c2CCS(=O)(=O)Oc12
PDB

UniProtKB/SwissProt

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n/an/a 150n/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 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))
BDBM50555629
PNG
(CHEMBL4781184)
Show SMILES Fc1ccc(cc1)-c1nn(c2OS(=O)(=O)CCc12)-c1ccccc1F
PDB

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n/an/a 160n/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 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))
BDBM50555630
PNG
(CHEMBL4798109)
Show SMILES Clc1ccccc1-n1nc(c2CCS(=O)(=O)Oc12)-c1ccccc1
PDB

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Article
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n/an/a 170n/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 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))
BDBM50555656
PNG
(CHEMBL4791928)
Show SMILES Cc1ccc(CN(CCO)Cc2nn(c3OS(=O)(=O)CCc23)-c2ccccc2F)cc1
PDB

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n/an/a 170n/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 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))
BDBM50555626
PNG
(CHEMBL4782632)
Show SMILES Fc1ccccc1-n1nc(c2CCS(=O)(=O)Oc12)-c1ccccc1
PDB

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 180n/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 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))
BDBM50555623
PNG
(CHEMBL4764930)
Show SMILES Clc1ccccc1-n1nc(C2CC2)c2CCS(=O)(=O)Oc12
PDB

UniProtKB/SwissProt

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Article
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n/an/a 180n/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 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))
BDBM50555650
PNG
(CHEMBL4780962)
Show SMILES OCCN(Cc1nn(c2OS(=O)(=O)CCc12)-c1ccccc1F)Cc1cccc(Cl)c1
PDB

UniProtKB/SwissProt

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Article
PubMed
n/an/a 190n/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 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))
BDBM50555642
PNG
(CHEMBL4741477)
Show SMILES Fc1ccccc1-n1nc(CCl)c2CCS(=O)(=O)Oc12
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n/an/a 190n/an/an/an/an/an/a


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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))
BDBM50555627
PNG
(CHEMBL4754030)
Show SMILES Fc1ccccc1-n1nc(c2CCS(=O)(=O)Oc12)-c1ccc(Cl)cc1
PDB

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n/an/a 200n/an/an/an/an/an/a


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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))
BDBM50555635
PNG
(CHEMBL4746233)
Show SMILES ClCc1nn(c2OS(=O)(=O)CCc12)-c1ccccc1Cl
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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))
BDBM50555659
PNG
(CHEMBL4749622)
Show SMILES COCCN(Cc1nn(c2OS(=O)(=O)CCc12)-c1ccccc1F)Cc1ccccc1
PDB

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n/an/a 240n/an/an/an/an/an/a


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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))
BDBM50555657
PNG
(CHEMBL4787079)
Show SMILES COc1ccc(CN(CCO)Cc2nn(c3OS(=O)(=O)CCc23)-c2ccccc2F)cc1
PDB

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n/an/a 260n/an/an/an/an/an/a


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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))
BDBM50555651
PNG
(CHEMBL4783120)
Show SMILES OCCN(Cc1nn(c2OS(=O)(=O)CCc12)-c1ccccc1F)Cc1cccc(Br)c1
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n/an/a 330n/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 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))
BDBM50555625
PNG
(CHEMBL4795377)
Show SMILES Fc1cccc(c1)-n1nc(C2CC2)c2CCS(=O)(=O)Oc12
PDB

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n/an/a 370n/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 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))
BDBM50555639
PNG
(CHEMBL4795386)
Show SMILES Clc1ccccc1-n1nc(CN2CCOCC2)c2CCS(=O)(=O)Oc12
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n/an/a 410n/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 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))
BDBM50555641
PNG
(CHEMBL4740057)
Show SMILES Clc1ccccc1-n1nc(CN2CCN(Cc3ccccc3)CC2)c2CCS(=O)(=O)Oc12
PDB

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n/an/a 460n/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 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))
BDBM50555628
PNG
(CHEMBL4741324)
Show SMILES Fc1ccccc1-n1nc(c2CCS(=O)(=O)Oc12)-c1ccc(Br)cc1
PDB

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n/an/a 470n/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 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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Article
PubMed
n/an/a 560n/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 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))
BDBM50555658
PNG
(CHEMBL4760032)
Show SMILES COc1ccc(CN(CCO)Cc2nn(c3OS(=O)(=O)CCc23)-c2ccccc2F)cc1OC
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n/an/a 560n/an/an/an/an/an/a


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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))
BDBM50555648
PNG
(CHEMBL4750029)
Show SMILES Fc1ccccc1-n1nc(CN2CCN(Cc3ccccc3)CC2)c2CCS(=O)(=O)Oc12
PDB

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n/an/a 680n/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 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))
BDBM50555624
PNG
(CHEMBL4762725)
Show SMILES Clc1cccc(c1)-n1nc(C2CC2)c2CCS(=O)(=O)Oc12
PDB

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n/an/a 700n/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 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))
BDBM50528684
PNG
(CHEMBL4560302)
Show SMILES Cc1nn(c2OS(=O)(=O)CCc12)-c1ccccc1F
Show InChI InChI=1S/C12H11FN2O3S/c1-8-9-6-7-19(16,17)18-12(9)15(14-8)11-5-3-2-4-10(11)13/h2-5H,6-7H2,1H3
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n/an/a 1.19E+3n/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 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))
BDBM50555631
PNG
(CHEMBL4800048)
Show SMILES Clc1ccc(cc1)-c1nn(c2OS(=O)(=O)CCc12)-c1ccccc1Cl
PDB

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n/an/a 1.58E+3n/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 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))
BDBM50555647
PNG
(CHEMBL4755357)
Show SMILES CN1CCN(Cc2nn(c3OS(=O)(=O)CCc23)-c2ccccc2F)CC1
PDB

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n/an/a 2.17E+3n/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 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))
BDBM50555640
PNG
(CHEMBL4796746)
Show SMILES CN1CCN(Cc2nn(c3OS(=O)(=O)CCc23)-c2ccccc2Cl)CC1
PDB

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n/an/a 2.22E+3n/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 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))
BDBM50555632
PNG
(CHEMBL4800191)
Show SMILES Clc1ccccc1-n1nc(c2CCS(=O)(=O)Oc12)-c1ccc(Br)cc1
PDB

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n/an/a 3.69E+3n/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 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
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