Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50361445'   

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))	BDBM50361445 (CHEMBL1938467) Show SMILES CN1CCN(CCC(=O)NN2c3ccccc3Sc3cc(ccc23)[N+]([O-])=O)CC1 Show InChI InChI=1S/C20H23N5O3S/c1-22-10-12-23(13-11-22)9-8-20(26)21-24-16-4-2-3-5-18(16)29-19-14-15(25(27)28)6-7-17(19)24/h2-7,14H,8-13H2,1H3,(H,21,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica Curated by ChEMBL					Assay Description Inhibition of BuChE in horse serum using butyrylthiocholine as substrate by Ellman method				Eur J Med Chem 46: 2224-35 (2011) Article DOI: 10.1016/j.ejmech.2011.03.003 BindingDB Entry DOI: 10.7270/Q2X34XWC
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