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Compile Data Set for Download or QSAR

Found 8 hits with Last Name = 'miles' and Initial = 'ja'   
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))
BDBM50554314
PNG
(CHEMBL4764997)
Show SMILES COc1ccc(cc1)-c1cc(C(=O)N2CCN(Cc3ccccc3)CC2)c2ccccc2n1
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PC sid
UniChem
Article
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5.20E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Mixed inhibition of equine serum BChE using butyrylthiocholine iodide as substrate


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127609
BindingDB Entry DOI: 10.7270/Q23R0XH1
More data for this
Ligand-Target Pair
Cholinesterase


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


TBA

Assay Description
Inhibition of equine serum BuChE


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127609
BindingDB Entry DOI: 10.7270/Q23R0XH1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cholinesterase


(Homo sapiens (Human))
BDBM8961
PNG
(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)
Show SMILES Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)
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PDB
Article
PubMed
n/an/a 45n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human BuChE at 10 uM


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127609
BindingDB Entry DOI: 10.7270/Q23R0XH1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Acetylcholinesterase


(Homo sapiens (Human))
BDBM8961
PNG
(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)
Show SMILES Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)
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Article
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n/an/a 84n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant AChE


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127609
BindingDB Entry DOI: 10.7270/Q23R0XH1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM8961
PNG
(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)
Show SMILES Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)
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PubMed
n/an/a 223n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of electric eel AChE


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127609
BindingDB Entry DOI: 10.7270/Q23R0XH1
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50554314
PNG
(CHEMBL4764997)
Show SMILES COc1ccc(cc1)-c1cc(C(=O)N2CCN(Cc3ccccc3)CC2)c2ccccc2n1
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n/an/a 2.40E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human BuChE at 10 uM


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127609
BindingDB Entry DOI: 10.7270/Q23R0XH1
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50554314
PNG
(CHEMBL4764997)
Show SMILES COc1ccc(cc1)-c1cc(C(=O)N2CCN(Cc3ccccc3)CC2)c2ccccc2n1
PDB

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n/an/a 3.30E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of equine serum BuChE


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127609
BindingDB Entry DOI: 10.7270/Q23R0XH1
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50554315
PNG
(CHEMBL1728093)
Show SMILES COc1ccccc1C1CCN(Cc2c(C)[nH]c3ccccc23)CC1
PDB

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n/an/a 1.23E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of equine serum BuChE


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127609
BindingDB Entry DOI: 10.7270/Q23R0XH1
More data for this
Ligand-Target Pair