Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50146865'   

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))	BDBM50146865 (1-[5-(8-sec-Butyl-2-oxo-4H-2lambda*5*-benzo[1,3,2]...) Show SMILES CCC(C)c1cccc2COP(=O)(OCC3OC(C=C3)n3cc(C)c(=O)[nH]c3=O)Oc12 |c:18| Show InChI InChI=1S/C21H25N2O7P/c1-4-13(2)17-7-5-6-15-11-27-31(26,30-19(15)17)28-12-16-8-9-18(29-16)23-10-14(3)20(24)22-21(23)25/h5-10,13,16,18H,4,11-12H2,1-3H3,(H,22,24,25)	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	2.00E+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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