Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50189894'   

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))	BDBM50189894 (CHEMBL3827011) Show SMILES [Br-].CCCCCCCCC1OCc2c[n+](C)c(C)c(OC(=O)N(C)C)c2CO1 Show InChI InChI=1S/C21H35N2O4.BrH/c1-6-7-8-9-10-11-12-19-25-14-17-13-23(5)16(2)20(18(17)15-26-19)27-21(24)22(3)4;/h13,19H,6-12,14-15H2,1-5H3;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	1.30E+3	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
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