Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50308424'   

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))	BDBM50308424 (CHEMBL589805 | N-(3-(Methyl(phenyl)amino)propyl)-1...) Show SMILES CN(CCCNC(=O)N1c2ccccc2Sc2ccccc12)c1ccccc1 Show InChI InChI=1S/C23H23N3OS/c1-25(18-10-3-2-4-11-18)17-9-16-24-23(27)26-19-12-5-7-14-21(19)28-22-15-8-6-13-20(22)26/h2-8,10-15H,9,16-17H2,1H3,(H,24,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dalhousie University Curated by ChEMBL					Assay Description Inhibition of human plasma BuChE by modified Ellman's spectrophotometric method				Bioorg Med Chem 18: 2232-44 (2010) Article DOI: 10.1016/j.bmc.2010.01.066 BindingDB Entry DOI: 10.7270/Q21C1X08
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