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Compile Data Set for Download or QSAR

Found 1 hit from Aligarh Muslim University   
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))
BDBM50241346
PNG
(10-Amino-4-(4-methoxy-phenyl)-2-methyl-5,6,7,8-tet...)
Show SMILES CCOC(=O)C1=C(C)Oc2nc3CCCCc3c(N)c2C1c1ccc(OC)cc1
Show InChI InChI=1S/C23H26N2O4/c1-4-28-23(26)18-13(2)29-22-20(19(18)14-9-11-15(27-3)12-10-14)21(24)16-7-5-6-8-17(16)25-22/h9-12,19H,4-8H2,1-3H3,(H2,24,25)
PDB
MMDB

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Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.80n/an/an/an/an/an/a



Aligarh Muslim University

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase (unknown origin)


Eur J Med Chem 124: 1121-1141 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.006
BindingDB Entry DOI: 10.7270/Q25X2BXG
More data for this
Ligand-Target Pair