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BDBM50448220 CHEMBL3120711

SMILES: Nc1c2CCCCc2nc2Oc3cc(O)ccc3C(c3ccccc3)c12

InChI Key: InChIKey=IRGHBZVIUGAUPQ-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50448220   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50448220
PNG
(CHEMBL3120711)
Show SMILES Nc1c2CCCCc2nc2Oc3cc(O)ccc3C(c3ccccc3)c12
Show InChI InChI=1S/C22H20N2O2/c23-21-15-8-4-5-9-17(15)24-22-20(21)19(13-6-2-1-3-7-13)16-11-10-14(25)12-18(16)26-22/h1-3,6-7,10-12,19,25H,4-5,8-9H2,(H2,23,24)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 550n/an/an/an/an/an/a



Universidad Complutense de Madrid (UCM)

Curated by ChEMBL


Assay Description
Inhibition of electric eel AchE using acetylcholine as substrate preincubated for 15 mins followed by substrate addition measured for 5 mins by Ellma...


Eur J Med Chem 74: 491-501 (2014)


Article DOI: 10.1016/j.ejmech.2013.12.021
BindingDB Entry DOI: 10.7270/Q2G73G60
More data for this
Ligand-Target Pair