Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50218528'   

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))	BDBM50218528 (3-(4-((benzyl(ethyl)amino)methyl)phenyl)-6,7-dimet...) Show SMILES CCN(Cc1ccccc1)Cc1ccc(cc1)-c1cc2cc(OC)c(OC)cc2oc1=O Show InChI InChI=1S/C27H27NO4/c1-4-28(17-19-8-6-5-7-9-19)18-20-10-12-21(13-11-20)23-14-22-15-25(30-2)26(31-3)16-24(22)32-27(23)29/h5-16H,4,17-18H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50218528 (3-(4-((benzyl(ethyl)amino)methyl)phenyl)-6,7-dimet...) Show SMILES CCN(Cc1ccccc1)Cc1ccc(cc1)-c1cc2cc(OC)c(OC)cc2oc1=O Show InChI InChI=1S/C27H27NO4/c1-4-28(17-19-8-6-5-7-9-19)18-20-10-12-21(13-11-20)23-14-22-15-25(30-2)26(31-3)16-24(22)32-27(23)29/h5-16H,4,17-18H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University Curated by ChEMBL					Assay Description Inhibition of human acetylcholinesterase using acetylthiocholine iodide as substrate incubated for 20 mins prior to substrate addition by Ellmans met...				Bioorg Med Chem 24: 4587-4599 (2016) Article DOI: 10.1016/j.bmc.2016.07.061 BindingDB Entry DOI: 10.7270/Q2765JT4
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50218528 (3-(4-((benzyl(ethyl)amino)methyl)phenyl)-6,7-dimet...) Show SMILES CCN(Cc1ccccc1)Cc1ccc(cc1)-c1cc2cc(OC)c(OC)cc2oc1=O Show InChI InChI=1S/C27H27NO4/c1-4-28(17-19-8-6-5-7-9-19)18-20-10-12-21(13-11-20)23-14-22-15-25(30-2)26(31-3)16-24(22)32-27(23)29/h5-16H,4,17-18H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE				J Med Chem 50: 4250-4 (2007) Article DOI: 10.1021/jm070100g BindingDB Entry DOI: 10.7270/Q2QC036V
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50218528 (3-(4-((benzyl(ethyl)amino)methyl)phenyl)-6,7-dimet...) Show SMILES CCN(Cc1ccccc1)Cc1ccc(cc1)-c1cc2cc(OC)c(OC)cc2oc1=O Show InChI InChI=1S/C27H27NO4/c1-4-28(17-19-8-6-5-7-9-19)18-20-10-12-21(13-11-20)23-14-22-15-25(30-2)26(31-3)16-24(22)32-27(23)29/h5-16H,4,17-18H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE by Ellman method				Bioorg Med Chem Lett 18: 423-6 (2008) Article DOI: 10.1016/j.bmcl.2007.09.100 BindingDB Entry DOI: 10.7270/Q2FN171X
					More data for this Ligand-Target Pair