Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50079376'   

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 (Equus caballus (Horse))	BDBM50079376 (CHEMBL3417005) Show SMILES CO\N=C(/CCC1CCN(CC2CCCCC2)CC1)c1cc(Cl)c(N)cc1OC Show InChI InChI=1S/C23H36ClN3O2/c1-28-23-15-21(25)20(24)14-19(23)22(26-29-2)9-8-17-10-12-27(13-11-17)16-18-6-4-3-5-7-18/h14-15,17-18H,3-13,16,25H2,1-2H3/b26-22+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.42E+3	n/a	n/a	n/a	n/a	n/a	n/a
CERMN Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE pre-incubated for 5 mins before butyrylthiocholine iodide substrate by Ellman' method				J Med Chem 58: 3172-87 (2015) Article DOI: 10.1021/acs.jmedchem.5b00115 BindingDB Entry DOI: 10.7270/Q2HQ41MH
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