Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50422516'   

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))	BDBM50422516 (CHEMBL2114303) Show SMILES O[C@H]1C[C@@H](O[C@@H]1CO[P@]1(=O)OCc2cccc(-c3ccccc3)c2O1)N1CC(=CCBr)C(=O)NC1=O |r,w:28.32| Show InChI InChI=1S/C24H24BrN2O8P/c25-10-9-16-12-27(24(30)26-23(16)29)21-11-19(28)20(34-21)14-33-36(31)32-13-17-7-4-8-18(22(17)35-36)15-5-2-1-3-6-15/h1-9,19-21,28H,10-14H2,(H,26,29,30)/t19-,20+,21+,36-/m0/s1	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	3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Hamburg Curated by ChEMBL					Assay Description Inhibitory activity towards human butyrylcholinesterase				J Med Chem 47: 2839-52 (2004) Article DOI: 10.1021/jm031032a BindingDB Entry DOI: 10.7270/Q2P84CN5
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