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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50117575'   
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))		BDBM50117575
PNG
(1-Benzyl-4-[(5,6-dimethoxy-1-oxo-indan-2-yl)-hydro...)
Show SMILES COc1cc2C[C@H]([C@@H](O)C3CC[N+](C)(Cc4ccccc4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C25H32NO4/c1-26(16-17-7-5-4-6-8-17)11-9-18(10-12-26)24(27)21-13-19-14-22(29-2)23(30-3)15-20(19)25(21)28/h4-8,14-15,18,21,24,27H,9-13,16H2,1-3H3/q+1/t18?,21-,24+,26?/m1/s1
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PubMed
n/an/an/an/a 2.70E+3n/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