Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50117601'   

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))	BDBM50117601 (1-Benzyl-4-(5,6-dimethoxy-benzo[b]thiophen-2-ylmet...) Show SMILES COc1cc2cc(C=C3CC[N+](C)(Cc4ccccc4)CC3)sc2cc1OC |(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,;12.39,-2.29,;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,;17.13,4.85,;18.65,5.02,;19.58,3.78,;18.97,2.37,;17.44,2.19,;12.84,1.68,;12.23,.27,;9.94,-3.55,;8.45,-3.06,;7.14,-3.83,;5.81,-3.06,;4.48,-3.83,;3.16,-3.06,)| Show InChI InChI=1S/C24H28NO2S/c1-25(17-19-7-5-4-6-8-19)11-9-18(10-12-25)13-21-14-20-15-22(26-2)23(27-3)16-24(20)28-21/h4-8,13-16H,9-12,17H2,1-3H3/q+1/b18-13-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	2.67E+3	n/a	n/a	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
Acetylcholinesterase (Homo sapiens (Human))	BDBM50117601 (1-Benzyl-4-(5,6-dimethoxy-benzo[b]thiophen-2-ylmet...) Show SMILES COc1cc2cc(C=C3CC[N+](C)(Cc4ccccc4)CC3)sc2cc1OC |(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,;12.39,-2.29,;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,;17.13,4.85,;18.65,5.02,;19.58,3.78,;18.97,2.37,;17.44,2.19,;12.84,1.68,;12.23,.27,;9.94,-3.55,;8.45,-3.06,;7.14,-3.83,;5.81,-3.06,;4.48,-3.83,;3.16,-3.06,)| Show InChI InChI=1S/C24H28NO2S/c1-25(17-19-7-5-4-6-8-19)11-9-18(10-12-25)13-21-14-20-15-22(26-2)23(27-3)16-24(20)28-21/h4-8,13-16H,9-12,17H2,1-3H3/q+1/b18-13-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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