Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50304245'   

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 (Rattus norvegicus (rat))	BDBM50304245 (6,7-Dimethoxy-3-[4-(pyrrolidin-1-ylmethyl)-phenyl]...) Show SMILES COc1cc2occ(-c3ccc(cc3)N3CCCC3)c(=O)c2cc1OC Show InChI InChI=1S/C21H21NO4/c1-24-19-11-16-18(12-20(19)25-2)26-13-17(21(16)23)14-5-7-15(8-6-14)22-9-3-4-10-22/h5-8,11-13H,3-4,9-10H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of AChE in rat cortex after 15 mins by modified Ellman's method				Bioorg Med Chem 17: 6692-8 (2009) Article DOI: 10.1016/j.bmc.2009.07.072 BindingDB Entry DOI: 10.7270/Q29S1R4M
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50304245 (6,7-Dimethoxy-3-[4-(pyrrolidin-1-ylmethyl)-phenyl]...) Show SMILES COc1cc2occ(-c3ccc(cc3)N3CCCC3)c(=O)c2cc1OC Show InChI InChI=1S/C21H21NO4/c1-24-19-11-16-18(12-20(19)25-2)26-13-17(21(16)23)14-5-7-15(8-6-14)22-9-3-4-10-22/h5-8,11-13H,3-4,9-10H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.63E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of AChE (unknown origin)				Citation and Details Article DOI: 10.1007/s00044-012-0353-y BindingDB Entry DOI: 10.7270/Q29Z97T4
					More data for this Ligand-Target Pair