BDBM50342875 1,1'-[4,4'-(Butane-1,4-diyl)bis(1,4-phenylene)]bis(methylene)bis[4-(pyrrolidin-1-yl)pyridinium]bromide::CHEMBL1771546

SMILES: C(CCc1ccc(Cn2ccc(cc2)=[N+]2CCCC2)cc1)Cc1ccc(Cn2ccc(cc2)=[N+]2CCCC2)cc1

InChI Key: InChIKey=CTGPWHAVZPAHFL-UHFFFAOYSA-N

Data: 2 IC50

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 2 hits for monomerid = 50342875   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Butyrylcholinesterase (BChE) (Equus caballus (Horse))	BDBM50342875 (1,1'-[4,4'-(Butane-1,4-diyl)bis(1,4-phenylene)]bis...) Show SMILES C(CCc1ccc(Cn2ccc(cc2)=[N+]2CCCC2)cc1)Cc1ccc(Cn2ccc(cc2)=[N+]2CCCC2)cc1 |(34.84,-6.91,;36.16,-6.14,;37.5,-6.9,;38.82,-6.12,;40.16,-6.88,;41.48,-6.1,;41.47,-4.57,;42.79,-3.78,;44.14,-4.54,;44.15,-6.08,;45.49,-6.83,;46.81,-6.05,;46.79,-4.51,;45.45,-3.75,;48.16,-6.81,;48.34,-8.33,;49.85,-8.63,;50.61,-7.29,;49.56,-6.16,;40.12,-3.81,;38.8,-4.59,;33.5,-6.15,;32.17,-6.92,;32.17,-8.47,;30.83,-9.24,;29.49,-8.47,;28.16,-9.24,;26.82,-8.47,;26.83,-6.93,;25.5,-6.16,;24.17,-6.92,;24.17,-8.47,;25.5,-9.24,;22.83,-6.16,;22.67,-4.62,;21.16,-4.3,;20.39,-5.63,;21.42,-6.78,;29.5,-6.92,;30.83,-6.16,)| Show InChI InChI=1S/C36H44N4/c1(7-31-9-13-33(14-10-31)29-37-25-17-35(18-26-37)39-21-3-4-22-39)2-8-32-11-15-34(16-12-32)30-38-27-19-36(20-28-38)40-23-5-6-24-40/h9-20,25-28H,1-8,21-24,29-30H2/q+2	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	671	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Granada Curated by ChEMBL					Assay Description Inhibition of equine BChE after 20 mins using butyrylthiocholine iodide as a substrate by Ellman's assay				J Med Chem 54: 2627-45 (2011) Article DOI: 10.1021/jm101299d BindingDB Entry DOI: 10.7270/Q2SQ90QT
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM50342875 (1,1'-[4,4'-(Butane-1,4-diyl)bis(1,4-phenylene)]bis...) Show SMILES C(CCc1ccc(Cn2ccc(cc2)=[N+]2CCCC2)cc1)Cc1ccc(Cn2ccc(cc2)=[N+]2CCCC2)cc1 |(34.84,-6.91,;36.16,-6.14,;37.5,-6.9,;38.82,-6.12,;40.16,-6.88,;41.48,-6.1,;41.47,-4.57,;42.79,-3.78,;44.14,-4.54,;44.15,-6.08,;45.49,-6.83,;46.81,-6.05,;46.79,-4.51,;45.45,-3.75,;48.16,-6.81,;48.34,-8.33,;49.85,-8.63,;50.61,-7.29,;49.56,-6.16,;40.12,-3.81,;38.8,-4.59,;33.5,-6.15,;32.17,-6.92,;32.17,-8.47,;30.83,-9.24,;29.49,-8.47,;28.16,-9.24,;26.82,-8.47,;26.83,-6.93,;25.5,-6.16,;24.17,-6.92,;24.17,-8.47,;25.5,-9.24,;22.83,-6.16,;22.67,-4.62,;21.16,-4.3,;20.39,-5.63,;21.42,-6.78,;29.5,-6.92,;30.83,-6.16,)| Show InChI InChI=1S/C36H44N4/c1(7-31-9-13-33(14-10-31)29-37-25-17-35(18-26-37)39-21-3-4-22-39)2-8-32-11-15-34(16-12-32)30-38-27-19-36(20-28-38)40-23-5-6-24-40/h9-20,25-28H,1-8,21-24,29-30H2/q+2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	104	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Granada Curated by ChEMBL					Assay Description Inhibition of bovine AChE after 20 mins using acetylthiocholine iodide as a substrate by Ellman's assay				J Med Chem 54: 2627-45 (2011) Article DOI: 10.1021/jm101299d BindingDB Entry DOI: 10.7270/Q2SQ90QT
					More data for this Ligand-Target Pair