Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50117617'   

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))	BDBM50117617 (4-[3-(5,6-Dimethoxy-benzo[b]thiophen-2-yl)-3-oxo-p...) Show SMILES COC(=O)c1ccc(C[n+]2ccc(CCC(=O)c3cc4cc(OC)c(OC)cc4s3)cc2)cc1 Show InChI InChI=1S/C27H26NO5S/c1-31-23-14-21-15-26(34-25(21)16-24(23)32-2)22(29)9-6-18-10-12-28(13-11-18)17-19-4-7-20(8-5-19)27(30)33-3/h4-5,7-8,10-16H,6,9,17H2,1-3H3/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	1.00E+3	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))	BDBM50117617 (4-[3-(5,6-Dimethoxy-benzo[b]thiophen-2-yl)-3-oxo-p...) Show SMILES COC(=O)c1ccc(C[n+]2ccc(CCC(=O)c3cc4cc(OC)c(OC)cc4s3)cc2)cc1 Show InChI InChI=1S/C27H26NO5S/c1-31-23-14-21-15-26(34-25(21)16-24(23)32-2)22(29)9-6-18-10-12-28(13-11-18)17-19-4-7-20(8-5-19)27(30)33-3/h4-5,7-8,10-16H,6,9,17H2,1-3H3/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	1.67E+3	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