Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50189887'   

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
Cholinesterase (Homo sapiens (Human))	BDBM50189887 (CHEMBL3827347) Show SMILES [Br-].CC(C)C1OCc2c[n+](C)c(C)c(OC(=O)N(C)C)c2CO1 Show InChI InChI=1S/C16H25N2O4.BrH/c1-10(2)15-20-8-12-7-18(6)11(3)14(13(12)9-21-15)22-16(19)17(4)5;/h7,10,15H,8-9H2,1-6H3;1H/q+1;/p-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.00E+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 plasma BChE assessed as butyrylthiocholine hydrolysis preincubated for 10 mins followed by addition of substrate measured after 2...				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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