Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50342603'   

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))	BDBM50342603 (2,5-bis(6-(4-hydroxy-3-methoxybenzylamino)hexylami...) Show SMILES COc1cc(CNCCCCCCNc2cc(O)c(cc2O)N=CCCCCCNCc2ccc(O)c(OC)c2)ccc1O |w:22.22| Show InChI InChI=1S/C34H48N4O6/c1-43-33-19-25(11-13-29(33)39)23-35-15-7-3-5-9-17-37-27-21-32(42)28(22-31(27)41)38-18-10-6-4-8-16-36-24-26-12-14-30(40)34(20-26)44-2/h11-14,17,19-22,35-36,38-42H,3-10,15-16,18,23-24H2,1-2H3	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	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Department of Pharmaceutical Sciences-Alma Mater Studiorum-Bologna University Curated by ChEMBL					Assay Description Inhibition of human serum BuChE				Bioorg Med Chem Lett 21: 2655-8 (2011) Article DOI: 10.1016/j.bmcl.2010.12.093 BindingDB Entry DOI: 10.7270/Q2445MSW
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