BDBM50342872 1,1'-(4,4'-(propane-1,3-diyl)bis(4,1-phenylene))bis(methylene)bis(4-(piperidin-1-yl)pyridinium)bromide::CHEMBL1771543

SMILES: C(Cc1ccc(Cn2ccc(cc2)=[N+]2CCCCC2)cc1)Cc1ccc(Cn2ccc(cc2)=[N+]2CCCCC2)cc1

InChI Key: InChIKey=ONSPQJAUTIRGNX-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 = 50342872   

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))	BDBM50342872 (1,1'-(4,4'-(propane-1,3-diyl)bis(4,1-phenylene))bi...) Show SMILES C(Cc1ccc(Cn2ccc(cc2)=[N+]2CCCCC2)cc1)Cc1ccc(Cn2ccc(cc2)=[N+]2CCCCC2)cc1 |(3.59,1.34,;2.25,2.1,;.92,1.33,;.92,-.22,;-.41,-.99,;-1.75,-.22,;-3.08,-.99,;-4.41,-.22,;-4.4,1.32,;-5.74,2.09,;-7.07,1.32,;-7.07,-.23,;-5.74,-.99,;-8.41,2.09,;-8.41,3.64,;-9.74,4.41,;-11.07,3.64,;-11.08,2.1,;-9.74,1.33,;-1.74,1.32,;-.42,2.09,;4.92,2.11,;6.25,1.35,;6.25,-.19,;7.59,-.95,;8.92,-.18,;10.26,-.94,;11.59,-.16,;12.92,-.93,;14.25,-.16,;14.25,1.38,;12.9,2.15,;11.58,1.37,;15.57,2.16,;16.91,1.39,;18.24,2.17,;18.23,3.71,;16.9,4.47,;15.56,3.7,;8.91,1.37,;7.57,2.13,)| Show InChI InChI=1S/C37H46N4/c1-3-22-40(23-4-1)36-18-26-38(27-19-36)30-34-14-10-32(11-15-34)8-7-9-33-12-16-35(17-13-33)31-39-28-20-37(21-29-39)41-24-5-2-6-25-41/h10-21,26-29H,1-9,22-25,30-31H2/q+2	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	149	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))	BDBM50342872 (1,1'-(4,4'-(propane-1,3-diyl)bis(4,1-phenylene))bi...) Show SMILES C(Cc1ccc(Cn2ccc(cc2)=[N+]2CCCCC2)cc1)Cc1ccc(Cn2ccc(cc2)=[N+]2CCCCC2)cc1 |(3.59,1.34,;2.25,2.1,;.92,1.33,;.92,-.22,;-.41,-.99,;-1.75,-.22,;-3.08,-.99,;-4.41,-.22,;-4.4,1.32,;-5.74,2.09,;-7.07,1.32,;-7.07,-.23,;-5.74,-.99,;-8.41,2.09,;-8.41,3.64,;-9.74,4.41,;-11.07,3.64,;-11.08,2.1,;-9.74,1.33,;-1.74,1.32,;-.42,2.09,;4.92,2.11,;6.25,1.35,;6.25,-.19,;7.59,-.95,;8.92,-.18,;10.26,-.94,;11.59,-.16,;12.92,-.93,;14.25,-.16,;14.25,1.38,;12.9,2.15,;11.58,1.37,;15.57,2.16,;16.91,1.39,;18.24,2.17,;18.23,3.71,;16.9,4.47,;15.56,3.7,;8.91,1.37,;7.57,2.13,)| Show InChI InChI=1S/C37H46N4/c1-3-22-40(23-4-1)36-18-26-38(27-19-36)30-34-14-10-32(11-15-34)8-7-9-33-12-16-35(17-13-33)31-39-28-20-37(21-29-39)41-24-5-2-6-25-41/h10-21,26-29H,1-9,22-25,30-31H2/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	163	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