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BDBM50117586 1,1-Dibenzyl-4-[(5,6-dimethoxy-1-oxo-indan-2-yl)-hydroxy-methyl]-piperidinium::CHEMBL313234

SMILES: COc1cc2CC(C(O)C3CC[N+](Cc4ccccc4)(Cc4ccccc4)CC3)C(=O)c2cc1OC

InChI Key: InChIKey=NDNZNGGMIRADBM-UHFFFAOYSA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50117586   
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))		BDBM50117586
PNG
(1,1-Dibenzyl-4-[(5,6-dimethoxy-1-oxo-indan-2-yl)-h...)
Show SMILES COc1cc2CC(C(O)C3CC[N+](Cc4ccccc4)(Cc4ccccc4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C31H36NO4/c1-35-28-18-25-17-27(31(34)26(25)19-29(28)36-2)30(33)24-13-15-32(16-14-24,20-22-9-5-3-6-10-22)21-23-11-7-4-8-12-23/h3-12,18-19,24,27,30,33H,13-17,20-21H2,1-2H3/q+1
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Similars
PubMed
n/an/an/an/a 4.35E+4n/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