Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50021463'   

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))	BDBM50021463 (CHEMBL3289929) Show SMILES CCOC(OCC)c1ccc(\C=C\C(=O)\C=C\c2ccc(cc2)C(OCC)OCC)cc1 Show InChI InChI=1S/C27H34O5/c1-5-29-26(30-6-2)23-15-9-21(10-16-23)13-19-25(28)20-14-22-11-17-24(18-12-22)27(31-7-3)32-8-4/h9-20,26-27H,5-8H2,1-4H3/b19-13+,20-14+	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	8.89E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universiti Kebangsaan Malaysia Curated by ChEMBL					Assay Description Inhibition of BuChE (unknown origin) after 5 mins by Ellman's method				Eur J Med Chem 83: 355-65 (2014) Article DOI: 10.1016/j.ejmech.2014.06.034 BindingDB Entry DOI: 10.7270/Q2862J10
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