Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50009663'   

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))	BDBM50009663 (CHEMBL3235220) Show SMILES O\N=C\C(=O)c1ccnc(OCC2CCN(Cc3ccccc3)CC2)c1 Show InChI InChI=1S/C20H23N3O3/c24-19(13-22-25)18-6-9-21-20(12-18)26-15-17-7-10-23(11-8-17)14-16-4-2-1-3-5-16/h1-6,9,12-13,17,25H,7-8,10-11,14-15H2/b22-13+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	1.44E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Southwest Research Institute Curated by ChEMBL					Assay Description Inhibition of human AChE using acetylthiocholine as substrate after 4 hrs by robotic spectrophotometric assay				Bioorg Med Chem Lett 24: 1711-4 (2014) Article DOI: 10.1016/j.bmcl.2014.02.049 BindingDB Entry DOI: 10.7270/Q280545W
					More data for this Ligand-Target Pair