Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM199190'   

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))	BDBM199190 (6-Chloro-N-(3,4-dimethoxybenzyl)-1,2,3,4-tetrahydr...) Show SMILES COc1ccc(CNc2c3CCCCc3nc3cc(Cl)ccc23)cc1OC Show InChI InChI=1S/C22H23ClN2O2/c1-26-20-10-7-14(11-21(20)27-2)13-24-22-16-5-3-4-6-18(16)25-19-12-15(23)8-9-17(19)22/h7-12H,3-6,13H2,1-2H3,(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibition of human AChE using acetylthiocholine iodide as substrate pretreated for 5 mins followed by substrate addition by Ellman's method				Bioorg Med Chem Lett 27: 2443-2449 (2017) Article DOI: 10.1016/j.bmcl.2017.04.006 BindingDB Entry DOI: 10.7270/Q2WQ05X3
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM199190 (6-Chloro-N-(3,4-dimethoxybenzyl)-1,2,3,4-tetrahydr...) Show SMILES COc1ccc(CNc2c3CCCCc3nc3cc(Cl)ccc23)cc1OC Show InChI InChI=1S/C22H23ClN2O2/c1-26-20-10-7-14(11-21(20)27-2)13-24-22-16-5-3-4-6-18(16)25-19-12-15(23)8-9-17(19)22/h7-12H,3-6,13H2,1-2H3,(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	8.0	25
University of Waterloo					Assay Description Test compounds were prepared in DMSO (maximum concentration used 1% v/v), and 10 μL of each (0.001-25 μm final concentration range) was inc...				Chem Biol Drug Des 88: 710-723 (2016) Article DOI: 10.1111/cbdd.12800 BindingDB Entry DOI: 10.7270/Q26D5RSX
					More data for this Ligand-Target Pair