BindingDB logo
myBDB logout

BDBM50117590 1-Benzyl-4-[(5,6-dimethoxy-1-oxo-indan-2-yl)-hydroxy-methyl]-1-methyl-piperidinium::CHEMBL87623

SMILES: COc1cc2C[C@H]([C@H](O)C3CC[N+](C)(Cc4ccccc4)CC3)C(=O)c2cc1OC

InChI Key: InChIKey=IBATXZHEHNSLNL-ORNXHASESA-N

Data: 1 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50117590   
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))		BDBM50117590
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 |wU:6.6,wD:7.7,(2.6,-10.37,;4.14,-10.38,;4.91,-9.05,;6.45,-9.05,;7.22,-7.73,;8.73,-7.42,;8.9,-5.88,;10.23,-5.12,;10.24,-3.58,;11.57,-5.89,;12.91,-5.13,;14.23,-5.9,;14.22,-7.44,;14.22,-8.98,;15.55,-8.21,;16.89,-7.44,;18.22,-8.21,;19.56,-7.44,;19.56,-5.89,;18.22,-5.12,;16.89,-5.9,;12.89,-8.21,;11.56,-7.43,;7.5,-5.26,;7.17,-3.74,;6.46,-6.39,;4.93,-6.38,;4.15,-7.71,;2.61,-7.7,;1.85,-6.35,)|
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
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/an/an/a 890n/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