Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50193541'   

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))	BDBM50193541 (CHEMBL3970840) Show SMILES CN1c2ccccc2C(NCCCCCCC(=O)NCCCNc2c3CCCCc3nc3ccccc23)c2ccc(Cl)cc2S1(=O)=O Show InChI InChI=1S/C37H44ClN5O3S/c1-43-33-18-10-7-15-29(33)37(30-21-20-26(38)25-34(30)47(43,45)46)40-22-11-3-2-4-19-35(44)39-23-12-24-41-36-27-13-5-8-16-31(27)42-32-17-9-6-14-28(32)36/h5,7-8,10,13,15-16,18,20-21,25,37,40H,2-4,6,9,11-12,14,17,19,22-24H2,1H3,(H,39,44)(H,41,42)	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	12	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio Grande do Sul Curated by ChEMBL					Assay Description Inhibition of human plasma BuChE using S-butyrylthiocholine iodide as substrate after 30 mins by Ellman's method				Eur J Med Chem 121: 758-772 (2016) Article DOI: 10.1016/j.ejmech.2016.06.025 BindingDB Entry DOI: 10.7270/Q2X92D8D
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