Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50117610'   

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))	BDBM50117610 (1-Benzyl-4-[(5,6-dimethoxy-benzo[b]thiophen-2-yl)-...) Show SMILES COc1cc2cc(sc2cc1OC)C(O)C1CC[N+](C)(Cc2ccccc2)CC1 |(3.16,-1.52,;4.48,-.75,;5.81,-1.52,;7.12,-.75,;8.45,-1.52,;9.94,-1.03,;10.85,-2.29,;9.94,-3.55,;8.45,-3.06,;7.14,-3.83,;5.81,-3.06,;4.48,-3.83,;3.16,-3.06,;12.39,-2.29,;13.16,-3.62,;13.14,-.96,;14.68,-.79,;15.29,.62,;14.38,1.86,;13.17,2.82,;14.99,3.26,;16.53,3.43,;17.44,2.19,;18.97,2.37,;19.58,3.78,;18.65,5.02,;17.13,4.85,;12.84,1.68,;12.23,.27,)| Show InChI InChI=1S/C24H30NO3S/c1-25(16-17-7-5-4-6-8-17)11-9-18(10-12-25)24(26)23-14-19-13-20(27-2)21(28-3)15-22(19)29-23/h4-8,13-15,18,24,26H,9-12,16H2,1-3H3/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	1.96E+4	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))	BDBM50117610 (1-Benzyl-4-[(5,6-dimethoxy-benzo[b]thiophen-2-yl)-...) Show SMILES COc1cc2cc(sc2cc1OC)C(O)C1CC[N+](C)(Cc2ccccc2)CC1 |(3.16,-1.52,;4.48,-.75,;5.81,-1.52,;7.12,-.75,;8.45,-1.52,;9.94,-1.03,;10.85,-2.29,;9.94,-3.55,;8.45,-3.06,;7.14,-3.83,;5.81,-3.06,;4.48,-3.83,;3.16,-3.06,;12.39,-2.29,;13.16,-3.62,;13.14,-.96,;14.68,-.79,;15.29,.62,;14.38,1.86,;13.17,2.82,;14.99,3.26,;16.53,3.43,;17.44,2.19,;18.97,2.37,;19.58,3.78,;18.65,5.02,;17.13,4.85,;12.84,1.68,;12.23,.27,)| Show InChI InChI=1S/C24H30NO3S/c1-25(16-17-7-5-4-6-8-17)11-9-18(10-12-25)24(26)23-14-19-13-20(27-2)21(28-3)15-22(19)29-23/h4-8,13-15,18,24,26H,9-12,16H2,1-3H3/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	>3.00E+4	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