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PubMed code 27823880

Compile data set for download or QSAR
Found 2 hits of Enzyme Inhibition Constant Data   
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))
BDBM10404
PNG
((1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetrac...)
Show SMILES COc1ccc2CN(C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24
Show InChI InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-/m0/s1
UniProtKB/SwissProt

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CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.02E+3n/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate measured every minute for fifteen minutes by Ellman's method


Eur J Med Chem 127: 771-780 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.057
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50227349
PNG
(CHEMBL4084108)
Show SMILES CNc1ccc(COC)cc1-c1cc2OCOc2cc1CO
Show InChI InChI=1S/C17H19NO4/c1-18-15-4-3-11(9-20-2)5-14(15)13-7-17-16(21-10-22-17)6-12(13)8-19/h3-7,18-19H,8-10H2,1-2H3
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 8.82E+3n/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate measured every minute for fifteen minutes by Ellman's method


Eur J Med Chem 127: 771-780 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.057
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%