null

SMILES: C(c1ccc(Cn2ccc(cc2)=[N+]2CCc3ccccc3C2)cc1)n1ccc(cc1)=[N+]1CCc2ccccc2C1

InChI Key: InChIKey=YWVBXNJTHBWVKZ-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50342860   

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
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM50342860 (1,1'-[1,4-Phenylenebis(methylene)]bis[4-(3,4-dihyd...) Show SMILES C(c1ccc(Cn2ccc(cc2)=[N+]2CCc3ccccc3C2)cc1)n1ccc(cc1)=[N+]1CCc2ccccc2C1 |(20.19,-23.01,;21.52,-22.24,;21.52,-20.69,;22.85,-19.92,;24.19,-20.69,;25.52,-19.91,;26.86,-20.68,;26.86,-22.21,;28.2,-22.98,;29.53,-22.2,;29.52,-20.65,;28.18,-19.89,;30.87,-22.97,;30.87,-24.51,;32.2,-25.27,;33.53,-24.5,;34.86,-25.26,;36.19,-24.49,;36.19,-22.95,;34.86,-22.19,;33.53,-22.96,;32.19,-22.19,;24.19,-22.24,;22.86,-23.01,;18.85,-22.24,;18.86,-20.69,;17.53,-19.92,;16.19,-20.69,;16.19,-22.24,;17.53,-23.01,;14.86,-19.92,;14.85,-18.38,;13.52,-17.61,;12.19,-18.38,;10.87,-17.61,;9.53,-18.37,;9.53,-19.92,;10.86,-20.68,;12.18,-19.92,;13.52,-20.7,)| Show InChI InChI=1S/C36H36N4/c1-3-7-33-27-39(23-13-31(33)5-1)35-15-19-37(20-16-35)25-29-9-11-30(12-10-29)26-38-21-17-36(18-22-38)40-24-14-32-6-2-4-8-34(32)28-40/h1-12,15-22H,13-14,23-28H2/q+2	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	327	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))	BDBM50342860 (1,1'-[1,4-Phenylenebis(methylene)]bis[4-(3,4-dihyd...) Show SMILES C(c1ccc(Cn2ccc(cc2)=[N+]2CCc3ccccc3C2)cc1)n1ccc(cc1)=[N+]1CCc2ccccc2C1 |(20.19,-23.01,;21.52,-22.24,;21.52,-20.69,;22.85,-19.92,;24.19,-20.69,;25.52,-19.91,;26.86,-20.68,;26.86,-22.21,;28.2,-22.98,;29.53,-22.2,;29.52,-20.65,;28.18,-19.89,;30.87,-22.97,;30.87,-24.51,;32.2,-25.27,;33.53,-24.5,;34.86,-25.26,;36.19,-24.49,;36.19,-22.95,;34.86,-22.19,;33.53,-22.96,;32.19,-22.19,;24.19,-22.24,;22.86,-23.01,;18.85,-22.24,;18.86,-20.69,;17.53,-19.92,;16.19,-20.69,;16.19,-22.24,;17.53,-23.01,;14.86,-19.92,;14.85,-18.38,;13.52,-17.61,;12.19,-18.38,;10.87,-17.61,;9.53,-18.37,;9.53,-19.92,;10.86,-20.68,;12.18,-19.92,;13.52,-20.7,)| Show InChI InChI=1S/C36H36N4/c1-3-7-33-27-39(23-13-31(33)5-1)35-15-19-37(20-16-35)25-29-9-11-30(12-10-29)26-38-21-17-36(18-22-38)40-24-14-32-6-2-4-8-34(32)28-40/h1-12,15-22H,13-14,23-28H2/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	126	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