Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM9411'   

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 (Mus musculus (mouse))	BDBM9411 (CHEMBL54058 | N-[2-(1-benzylpiperidin-4-yl)ethyl]-...) Show SMILES O=C(N(CCC1CCN(Cc2ccccc2)CC1)c1ccccc1)c1ccc(cc1)S(=O)(=O)Cc1ccccc1 Show InChI InChI=1S/C34H36N2O3S/c37-34(31-16-18-33(19-17-31)40(38,39)27-30-12-6-2-7-13-30)36(32-14-8-3-9-15-32)25-22-28-20-23-35(24-21-28)26-29-10-4-1-5-11-29/h1-19,28H,20-27H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
University of Missouri-St. Louis Curated by ChEMBL					Assay Description Inhibition against Acetylcholinesterase (AChE)				J Med Chem 39: 380-7 (1996) Article DOI: 10.1021/jm950704x BindingDB Entry DOI: 10.7270/Q25D8T1Q
					More data for this Ligand-Target Pair
Acetylcholinesterase (Mus musculus (mouse))	BDBM9411 (CHEMBL54058 | N-[2-(1-benzylpiperidin-4-yl)ethyl]-...) Show SMILES O=C(N(CCC1CCN(Cc2ccccc2)CC1)c1ccccc1)c1ccc(cc1)S(=O)(=O)Cc1ccccc1 Show InChI InChI=1S/C34H36N2O3S/c37-34(31-16-18-33(19-17-31)40(38,39)27-30-12-6-2-7-13-30)36(32-14-8-3-9-15-32)25-22-28-20-23-35(24-21-28)26-29-10-4-1-5-11-29/h1-19,28H,20-27H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Laboratories					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The amount of a yellow substance formed after incubation was d...				J Med Chem 33: 1880-7 (1990) Article DOI: 10.1021/jm00169a008 BindingDB Entry DOI: 10.7270/Q20Z71H2
					More data for this Ligand-Target Pair