Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50146852'   

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))	BDBM50146852 (1-[5-(4-Dichloromethyl-2-oxo-4H-2lambda*5*-benzo[1...) Show SMILES Cc1cn(C2OC(COP3(=O)OC(C(Cl)Cl)c4ccccc4O3)C=C2)c(=O)[nH]c1=O |c:25| Show InChI InChI=1S/C18H17Cl2N2O7P/c1-10-8-22(18(24)21-17(10)23)14-7-6-11(27-14)9-26-30(25)28-13-5-3-2-4-12(13)15(29-30)16(19)20/h2-8,11,14-16H,9H2,1H3,(H,21,23,24)	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	2.60E+4	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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