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BDBM50448218 CHEMBL3120710

SMILES: Nc1c2CCCCc2nc2Oc3cc(O)ccc3C(c3ccc(Br)cc3)c12

InChI Key: InChIKey=XDSLJKLJFYBVGH-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50448218   
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))
BDBM50448218
PNG
(CHEMBL3120710)
Show SMILES Nc1c2CCCCc2nc2Oc3cc(O)ccc3C(c3ccc(Br)cc3)c12
Show InChI InChI=1S/C22H19BrN2O2/c23-13-7-5-12(6-8-13)19-16-10-9-14(26)11-18(16)27-22-20(19)21(24)15-3-1-2-4-17(15)25-22/h5-11,19,26H,1-4H2,(H2,24,25)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7n/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