Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50221916'   

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))	BDBM50221916 (2,5-bis{6-[ethyl(pyridin-3-ylmethyl)amino]hexylami...) Show SMILES CCN(CCCCCCNc1cc(O)c(cc1O)N=CCCCCCN(CC)Cc1cccnc1)Cc1cccnc1 |w:18.18| Show InChI InChI=1S/C34H50N6O2/c1-3-39(27-29-15-13-17-35-25-29)21-11-7-5-9-19-37-31-23-34(42)32(24-33(31)41)38-20-10-6-8-12-22-40(4-2)28-30-16-14-18-36-26-30/h13-19,23-26,38,41-42H,3-12,20-22,27-28H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.19E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human recombinant butyrylcholinesterase				J Med Chem 50: 4882-97 (2007) Article DOI: 10.1021/jm070559a BindingDB Entry DOI: 10.7270/Q218379R
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