Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50087655'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Acetylcholinesterase (Bos taurus (bovine))	BDBM50087655 (1,2-di{4-[4-(1-azepanyl)-1-pyridiniumylmethyl]phen...) Show SMILES C(Cc1ccc(Cn2ccc(cc2)=[N+]2CCCCCC2)cc1)c1ccc(Cn2ccc(cc2)=[N+]2CCCCCC2)cc1 |(8.88,-5.63,;10.21,-6.38,;11.54,-5.61,;12.87,-6.38,;14.2,-5.61,;14.2,-4.07,;15.53,-3.29,;16.86,-4.05,;16.88,-5.59,;18.22,-6.36,;19.55,-5.58,;19.53,-4.02,;18.19,-3.28,;20.88,-6.33,;20.78,-7.88,;21.91,-8.92,;23.44,-8.67,;24.19,-7.33,;23.61,-5.91,;22.14,-5.46,;12.86,-3.3,;11.53,-4.09,;7.55,-6.4,;6.21,-5.63,;4.88,-6.4,;4.88,-7.95,;3.53,-8.72,;2.2,-7.95,;2.22,-6.4,;.89,-5.63,;-.46,-6.4,;-.44,-7.95,;.89,-8.72,;-1.79,-5.63,;-1.67,-4.09,;-2.82,-3.04,;-4.33,-3.29,;-5.11,-4.62,;-4.54,-6.05,;-3.06,-6.5,;6.21,-8.72,;7.55,-7.95,)| Show InChI InChI=1S/C38H48N4/c1-2-6-24-41(23-5-1)37-19-27-39(28-20-37)31-35-15-11-33(12-16-35)9-10-34-13-17-36(18-14-34)32-40-29-21-38(22-30-40)42-25-7-3-4-8-26-42/h11-22,27-30H,1-10,23-26,31-32H2/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	86	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