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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50117582'   
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


(Homo sapiens (Human))		BDBM50117582
PNG
(9-methoxy-4,4-dimethyl-(1S,14R)-11-oxa-4-azoniatet...)
Show SMILES COc1ccc2C[N+](C)(C)CC[C@@]34C=C[C@H](O)CC3Oc1c24 |c:13|
Show InChI InChI=1S/C18H24NO3/c1-19(2)9-8-18-7-6-13(20)10-15(18)22-17-14(21-3)5-4-12(11-19)16(17)18/h4-7,13,15,20H,8-11H2,1-3H3/q+1/t13-,15?,18-/m0/s1
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PubMed
n/an/an/an/a 630n/an/an/an/a



Organon Laboratories Ltd.

Curated by ChEMBL


Assay Description
In vitro reversal of vecuronium-induced neuromuscular block in guinea pig hemi-diaphragm.

Bioorg Med Chem Lett 12: 2565-8 (2002)


BindingDB Entry DOI: 10.7270/Q2CZ37Q4
More data for this
Ligand-Target Pair