Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50208214'   

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))	BDBM50208214 (CHEMBL3884858) Show SMILES O=S(=O)(c1ccccc1)n1ccc2c(cccc12)N1CCN(CCCCCNc2c3CCCCc3nc3ccccc23)CC1 Show InChI InChI=1S/C36H41N5O2S/c42-44(43,28-12-3-1-4-13-28)41-23-20-31-34(18-11-19-35(31)41)40-26-24-39(25-27-40)22-10-2-9-21-37-36-29-14-5-7-16-32(29)38-33-17-8-6-15-30(33)36/h1,3-5,7,11-14,16,18-20,23H,2,6,8-10,15,17,21-22,24-27H2,(H,37,38)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Collegium Medicum Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE preincubated for 5 mins followed by butyrylthiocholine iodide substrate addition measured after 5 mins by Ellman's m...				Eur J Med Chem 124: 63-81 (2016) Article DOI: 10.1016/j.ejmech.2016.08.016 BindingDB Entry DOI: 10.7270/Q2PZ5BT8
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