Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM9414'   

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))	BDBM9414 (CHEMBL127097 | N-methyl-N-(2-{1-[(4-methylphenyl)m...) Show SMILES CN(CCC1CCN(Cc2ccc(C)cc2)CC1)C(=O)c1ccccc1 Show InChI InChI=1S/C23H30N2O/c1-19-8-10-21(11-9-19)18-25-16-13-20(14-17-25)12-15-24(2)23(26)22-6-4-3-5-7-22/h3-11,20H,12-18H2,1-2H3	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	4.10E+4	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
Acetylcholinesterase (Mus musculus (mouse))	BDBM9414 (CHEMBL127097 | N-methyl-N-(2-{1-[(4-methylphenyl)m...) Show SMILES CN(CCC1CCN(Cc2ccc(C)cc2)CC1)C(=O)c1ccccc1 Show InChI InChI=1S/C23H30N2O/c1-19-8-10-21(11-9-19)18-25-16-13-20(14-17-25)12-15-24(2)23(26)22-6-4-3-5-7-22/h3-11,20H,12-18H2,1-2H3	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	4.10E+4	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