Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50099433'   

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))	BDBM50099433 (CHEMBL3339008) Show SMILES CCCCN(CCCC)CCCCCCOc1ccc(cc1)C(=O)\C=C\c1ccccc1 Show InChI InChI=1S/C29H41NO2/c1-3-5-22-30(23-6-4-2)24-12-7-8-13-25-32-28-19-17-27(18-20-28)29(31)21-16-26-14-10-9-11-15-26/h9-11,14-21H,3-8,12-13,22-25H2,1-2H3/b21-16+	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	7.51E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hu'nan University Curated by ChEMBL					Assay Description Inhibition of BuChE (unknown origin) using butyrylthiocholine iodide as substrate incubated for 25 mins by Ellman's method				Bioorg Med Chem 22: 6124-33 (2014) Article DOI: 10.1016/j.bmc.2014.08.033 BindingDB Entry DOI: 10.7270/Q2474CNV
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