Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50261232'   

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))	BDBM50261232 (1-(2-{4-[7-(Benzylmethylamino)heptyloxy]phenyl}ben...) Show SMILES CN(CCCCCCCOc1ccc(cc1)-c1oc2ccccc2c1C(C)=O)Cc1ccccc1 Show InChI InChI=1S/C31H35NO3/c1-24(33)30-28-15-9-10-16-29(28)35-31(30)26-17-19-27(20-18-26)34-22-12-5-3-4-11-21-32(2)23-25-13-7-6-8-14-25/h6-10,13-20H,3-5,11-12,21-23H2,1-2H3	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	1.83E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human serum BuchE after 20 mins by Ellman's method				J Med Chem 51: 2883-6 (2008) Article DOI: 10.1021/jm8002747 BindingDB Entry DOI: 10.7270/Q2Q52PFQ
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