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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Choline O-acetyltransferase' and Ligand = 'BDBM50020529'   
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
Choline O-acetyltransferase


(RAT)		BDBM50020529
PNG
(2-(Hydroxyimino-methyl)-3-methyl-1-(3-phenyl-propo...)
Show SMILES Cn1cc[n+](COCCCc2ccccc2)c1CN=O
Show InChI InChI=1S/C15H20N3O2/c1-17-9-10-18(15(17)12-16-19)13-20-11-5-8-14-6-3-2-4-7-14/h2-4,6-7,9-10H,5,8,11-13H2,1H3/q+1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1.50E+4n/an/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Compound was tested for the competitive inhibition of acetylcholinesterase (AChE)

J Med Chem 32: 493-503 (1989)


BindingDB Entry DOI: 10.7270/Q2JD4XCB
More data for this
Ligand-Target Pair