Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM199186'   

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 (Electrophorus electricus (Electric eel))	BDBM199186 (N-(3,4-Dimethoxybenzyl)-1,2,3,4-tetrahydroacridin-...) Show SMILES COc1ccc(CNc2c3CCCCc3nc3ccccc23)cc1OC Show InChI InChI=1S/C22H24N2O2/c1-25-20-12-11-15(13-21(20)26-2)14-23-22-16-7-3-5-9-18(16)24-19-10-6-4-8-17(19)22/h3,5,7,9,11-13H,4,6,8,10,14H2,1-2H3,(H,23,24)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Sevilla Curated by ChEMBL					Assay Description Inhibition of electric eel AChE assessed as dissociation constant for enzyme-substrate-inhibitor complex using acetylthiocholine iodide as substrate ...				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.07.053 BindingDB Entry DOI: 10.7270/Q23R0X60
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM199186 (N-(3,4-Dimethoxybenzyl)-1,2,3,4-tetrahydroacridin-...) Show SMILES COc1ccc(CNc2c3CCCCc3nc3ccccc23)cc1OC Show InChI InChI=1S/C22H24N2O2/c1-25-20-12-11-15(13-21(20)26-2)14-23-22-16-7-3-5-9-18(16)24-19-10-6-4-8-17(19)22/h3,5,7,9,11-13H,4,6,8,10,14H2,1-2H3,(H,23,24)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	640	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Sevilla Curated by ChEMBL					Assay Description Inhibition of electric eel AChE assessed as dissociation constant for enzyme-inhibitor complex using acetylthiocholine iodide as substrate measured f...				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.07.053 BindingDB Entry DOI: 10.7270/Q23R0X60
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM199186 (N-(3,4-Dimethoxybenzyl)-1,2,3,4-tetrahydroacridin-...) Show SMILES COc1ccc(CNc2c3CCCCc3nc3ccccc23)cc1OC Show InChI InChI=1S/C22H24N2O2/c1-25-20-12-11-15(13-21(20)26-2)14-23-22-16-7-3-5-9-18(16)24-19-10-6-4-8-17(19)22/h3,5,7,9,11-13H,4,6,8,10,14H2,1-2H3,(H,23,24)	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	2.20E+3	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
Acetylcholinesterase (Homo sapiens (Human))	BDBM199186 (N-(3,4-Dimethoxybenzyl)-1,2,3,4-tetrahydroacridin-...) Show SMILES COc1ccc(CNc2c3CCCCc3nc3ccccc23)cc1OC Show InChI InChI=1S/C22H24N2O2/c1-25-20-12-11-15(13-21(20)26-2)14-23-22-16-7-3-5-9-18(16)24-19-10-6-4-8-17(19)22/h3,5,7,9,11-13H,4,6,8,10,14H2,1-2H3,(H,23,24)	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	2.20E+3	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