Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50117594'   

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 (Homo sapiens (Human))	BDBM50117594 (1-Benzyl-4-[3-(5,6-dimethoxy-benzo[b]thiophen-2-yl...) Show SMILES COc1cc2cc(sc2cc1OC)C(=O)CCC1CC[N+](C)(Cc2ccccc2)CC1 |(-.09,-3.27,;1.22,-2.5,;2.55,-3.27,;3.88,-2.5,;5.21,-3.27,;6.68,-2.78,;7.59,-4.04,;6.68,-5.3,;5.21,-4.81,;3.88,-5.58,;2.55,-4.81,;1.22,-5.58,;-.09,-4.81,;9.13,-4.04,;9.9,-5.37,;9.9,-2.71,;11.44,-2.71,;12.21,-1.38,;13.74,-1.22,;14.37,.18,;13.47,1.42,;12.28,2.4,;14.1,2.84,;15.64,2.99,;16.27,4.39,;17.79,4.54,;18.7,3.29,;18.07,1.88,;16.53,1.74,;11.95,1.28,;11.3,-.12,)| Show InChI InChI=1S/C26H32NO3S/c1-27(18-20-7-5-4-6-8-20)13-11-19(12-14-27)9-10-22(28)26-16-21-15-23(29-2)24(30-3)17-25(21)31-26/h4-8,15-17,19H,9-14,18H2,1-3H3/q+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Organon Laboratories Ltd. Curated by ChEMBL					Assay Description Concentration required for the inhibition of acetylcholinesterase				Bioorg Med Chem Lett 12: 2569-72 (2002) BindingDB Entry DOI: 10.7270/Q28916C0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50117594 (1-Benzyl-4-[3-(5,6-dimethoxy-benzo[b]thiophen-2-yl...) Show SMILES COc1cc2cc(sc2cc1OC)C(=O)CCC1CC[N+](C)(Cc2ccccc2)CC1 |(-.09,-3.27,;1.22,-2.5,;2.55,-3.27,;3.88,-2.5,;5.21,-3.27,;6.68,-2.78,;7.59,-4.04,;6.68,-5.3,;5.21,-4.81,;3.88,-5.58,;2.55,-4.81,;1.22,-5.58,;-.09,-4.81,;9.13,-4.04,;9.9,-5.37,;9.9,-2.71,;11.44,-2.71,;12.21,-1.38,;13.74,-1.22,;14.37,.18,;13.47,1.42,;12.28,2.4,;14.1,2.84,;15.64,2.99,;16.27,4.39,;17.79,4.54,;18.7,3.29,;18.07,1.88,;16.53,1.74,;11.95,1.28,;11.3,-.12,)| Show InChI InChI=1S/C26H32NO3S/c1-27(18-20-7-5-4-6-8-20)13-11-19(12-14-27)9-10-22(28)26-16-21-15-23(29-2)24(30-3)17-25(21)31-26/h4-8,15-17,19H,9-14,18H2,1-3H3/q+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	19	n/a	n/a	n/a	n/a
Organon Laboratories Ltd. Curated by ChEMBL					Assay Description In vitro reversal of vecuronium-induced block in isolated guinea pig hemi-diaphragm.				Bioorg Med Chem Lett 12: 2569-72 (2002) BindingDB Entry DOI: 10.7270/Q28916C0
					More data for this Ligand-Target Pair