Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50536287'   

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))	BDBM50536287 (CHEMBL4581664) Show SMILES Cc1ccc(cc1C(=O)NCCN1CCOCC1)-c1cn(Cc2ccc3ccccc3c2)nn1 Show InChI InChI=1S/C27H29N5O2/c1-20-6-8-24(17-25(20)27(33)28-10-11-31-12-14-34-15-13-31)26-19-32(30-29-26)18-21-7-9-22-4-2-3-5-23(22)16-21/h2-9,16-17,19H,10-15,18H2,1H3,(H,28,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.08E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Jinan Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE preincubated for 6 mins followed by addition of S-butyrylthiocholine iodide by Ellman's method				Bioorg Med Chem Lett 26: 3881-5 (2016) Article DOI: 10.1016/j.bmcl.2016.07.017 BindingDB Entry DOI: 10.7270/Q2KW5KJZ
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