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Compile Data Set for Download or QSAR

Found 4 hits of ic50 for monomerid = 50456913   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50456913
PNG
(CHEMBL3891025)
Show SMILES COc1cc(\C=C\C(=O)Nc2ccc(CN(C)Cc3ccccc3)cc2)ccc1O
Show InChI InChI=1S/C25H26N2O3/c1-27(17-20-6-4-3-5-7-20)18-21-8-12-22(13-9-21)26-25(29)15-11-19-10-14-23(28)24(16-19)30-2/h3-16,28H,17-18H2,1-2H3,(H,26,29)/b15-11+
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.99E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up to 180...


Eur J Med Chem 139: 68-83 (2017)


Article DOI: 10.1016/j.ejmech.2017.07.077
BindingDB Entry DOI: 10.7270/Q2Q52S78
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50456913
PNG
(CHEMBL3891025)
Show SMILES COc1cc(\C=C\C(=O)Nc2ccc(CN(C)Cc3ccccc3)cc2)ccc1O
Show InChI InChI=1S/C25H26N2O3/c1-27(17-20-6-4-3-5-7-20)18-21-8-12-22(13-9-21)26-25(29)15-11-19-10-14-23(28)24(16-19)30-2/h3-16,28H,17-18H2,1-2H3,(H,26,29)/b15-11+
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KEGG

UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.12E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human serum BChE using S-butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up to 1...


Eur J Med Chem 139: 68-83 (2017)


Article DOI: 10.1016/j.ejmech.2017.07.077
BindingDB Entry DOI: 10.7270/Q2Q52S78
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50456913
PNG
(CHEMBL3891025)
Show SMILES COc1cc(\C=C\C(=O)Nc2ccc(CN(C)Cc3ccccc3)cc2)ccc1O
Show InChI InChI=1S/C25H26N2O3/c1-27(17-20-6-4-3-5-7-20)18-21-8-12-22(13-9-21)26-25(29)15-11-19-10-14-23(28)24(16-19)30-2/h3-16,28H,17-18H2,1-2H3,(H,26,29)/b15-11+
PDB
MMDB

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UniProtKB/SwissProt

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antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.32E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


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


Eur J Med Chem 139: 68-83 (2017)


Article DOI: 10.1016/j.ejmech.2017.07.077
BindingDB Entry DOI: 10.7270/Q2Q52S78
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50456913
PNG
(CHEMBL3891025)
Show SMILES COc1cc(\C=C\C(=O)Nc2ccc(CN(C)Cc3ccccc3)cc2)ccc1O
Show InChI InChI=1S/C25H26N2O3/c1-27(17-20-6-4-3-5-7-20)18-21-8-12-22(13-9-21)26-25(29)15-11-19-10-14-23(28)24(16-19)30-2/h3-16,28H,17-18H2,1-2H3,(H,26,29)/b15-11+
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.78E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


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


Eur J Med Chem 139: 68-83 (2017)


Article DOI: 10.1016/j.ejmech.2017.07.077
BindingDB Entry DOI: 10.7270/Q2Q52S78
More data for this
Ligand-Target Pair