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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50075591'   
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))
BDBM50075591
PNG
(CHEMBL3415566)
Show SMILES Fc1ccccc1CNCCCCCCCCN1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C23H27FN2O2/c24-21-14-8-5-11-18(21)17-25-15-9-3-1-2-4-10-16-26-22(27)19-12-6-7-13-20(19)23(26)28/h5-8,11-14,25H,1-4,9-10,15-17H2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 438n/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE after 5 mins by Ellman's method


Eur J Med Chem 92: 738-49 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.027
BindingDB Entry DOI: 10.7270/Q23T9JXZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50075591
PNG
(CHEMBL3415566)
Show SMILES Fc1ccccc1CNCCCCCCCCN1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C23H27FN2O2/c24-21-14-8-5-11-18(21)17-25-15-9-3-1-2-4-10-16-26-22(27)19-12-6-7-13-20(19)23(26)28/h5-8,11-14,25H,1-4,9-10,15-17H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 545n/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE after 5 mins by Ellman's method


Eur J Med Chem 92: 738-49 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.027
BindingDB Entry DOI: 10.7270/Q23T9JXZ
More data for this
Ligand-Target Pair