Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50068319'   

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))	BDBM50068319 (CHEMBL3402302) Show SMILES COc1ccc(CN2CCC(CC2)NCCCCCCCCN2C(=O)c3ccccc3C2=O)cc1 Show InChI InChI=1S/C29H39N3O3/c1-35-25-14-12-23(13-15-25)22-31-20-16-24(17-21-31)30-18-8-4-2-3-5-9-19-32-28(33)26-10-6-7-11-27(26)29(32)34/h6-7,10-15,24,30H,2-5,8-9,16-22H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.65E+3	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Curated by ChEMBL					Assay Description Inhibition of horse serum BChE using butyrylthiocholine iodide as substrate preincubated for 5 mins by Ellman method				Bioorg Med Chem 23: 2445-57 (2015) Article DOI: 10.1016/j.bmc.2015.03.051 BindingDB Entry DOI: 10.7270/Q2CZ38VB
					More data for this Ligand-Target Pair