Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50189890'   

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))	BDBM50189890 (CHEMBL3828739) Show SMILES [Br-].CN(C)C(=O)Oc1c(C)[n+](C)cc2COC(C)(C)OCc12 Show InChI InChI=1S/C15H23N2O4.BrH/c1-10-13(21-14(18)16(4)5)12-9-20-15(2,3)19-8-11(12)7-17(10)6;/h7H,8-9H2,1-6H3;1H/q+1;/p-1	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	5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Kazan (Volga region) Federal University Curated by ChEMBL					Assay Description Inhibition of human AChE assessed as acetylthiocholine hydrolysis preincubated for 10 mins followed by addition of substrate measured after 2 mins by...				Bioorg Med Chem Lett 26: 4092-4 (2016) Article DOI: 10.1016/j.bmcl.2016.06.070 BindingDB Entry DOI: 10.7270/Q2BR8V31
					More data for this Ligand-Target Pair