Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50205687'   

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))	BDBM50205687 (CHEMBL3947474) Show SMILES COc1ccc2[nH]c3c(nccc3c2c1)C(=O)c1ccc(F)cc1 Show InChI InChI=1S/C19H13FN2O2/c1-24-13-6-7-16-15(10-13)14-8-9-21-18(17(14)22-16)19(23)11-2-4-12(20)5-3-11/h2-10,22H,1H3	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Massachusetts Boston Curated by ChEMBL					Assay Description Inhibition of BuChE (unknown origin) by spectrophotometric analysis based Ellman's assay				Bioorg Med Chem Lett 27: 232-236 (2017) Article DOI: 10.1016/j.bmcl.2016.11.067 BindingDB Entry DOI: 10.7270/Q2NC636H
					More data for this Ligand-Target Pair