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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50032395'   
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


(Rattus norvegicus (rat))		BDBM50032395
PNG
(1-{2-[2-(Benzyl-methyl-amino)-ethoxy]-ethyl}-3-(9,...)
Show SMILES CN(CCOCCNC(=S)NC(=O)c1ccc2c(O)c3ccccc3c(O)c2c1)Cc1ccccc1
Show InChI InChI=1S/C28H29N3O4S/c1-31(18-19-7-3-2-4-8-19)14-16-35-15-13-29-28(36)30-27(34)20-11-12-23-24(17-20)26(33)22-10-6-5-9-21(22)25(23)32/h2-12,17,32-33H,13-16,18H2,1H3,(H2,29,30,34,36)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 6n/an/an/an/an/an/a



Centre de Recherche Pierre Fabre

Curated by ChEMBL


Assay Description
In vitro inhibitory effect on rat Acetylcholinesterase

J Med Chem 38: 2969-73 (1995)


BindingDB Entry DOI: 10.7270/Q22B8X2S
More data for this
Ligand-Target Pair