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SMILES: CCC1=CC2CC(C1)c1c(C2)nc2cc(OC)c(OC)cc2c1N

InChI Key: InChIKey=CCSDPCGLZHBBMS-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50298413   
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


(Homo sapiens (Human))		BDBM50298413
PNG
((+/-)-12-Amino-2,3-dimethoxy-9-ethyl-6,7,10,11-tet...)
Show SMILES CCC1=CC2CC(C1)c1c(C2)nc2cc(OC)c(OC)cc2c1N |t:2,TLB:22:8:5:7.3.2,THB:1:2:5:10.9.8,11:9:5:7.3.2|
Show InChI InChI=1S/C20H24N2O2/c1-4-11-5-12-7-13(6-11)19-16(8-12)22-15-10-18(24-3)17(23-2)9-14(15)20(19)21/h5,9-10,12-13H,4,6-8H2,1-3H3,(H2,21,22)
PDB
MMDB

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Similars
Article
PubMed
n/an/a 5.10E+3n/an/an/an/an/an/a



COBRA-CNRS UMR 6014& FR 3038

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE in erythrocytes by Ellman's assay

Bioorg Med Chem 17: 4523-36 (2009)


Article DOI: 10.1016/j.bmc.2009.05.005
BindingDB Entry DOI: 10.7270/Q2K938GQ
More data for this
Ligand-Target Pair