Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM199198'   

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))	BDBM199198 (7-Chloro-N-(3,4-dimethoxyphenethyl)-1,2,3,4-tetrah...) Show SMILES COc1ccc(CCNc2c3CCCCc3nc3ccc(Cl)cc23)cc1OC Show InChI InChI=1S/C23H25ClN2O2/c1-27-21-10-7-15(13-22(21)28-2)11-12-25-23-17-5-3-4-6-19(17)26-20-9-8-16(24)14-18(20)23/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.20E+3	n/a	n/a	n/a	n/a	8.0	25
University of Waterloo					Assay Description Test compounds were prepared in DMSO (maximum concentration used 1% v/v), and 10 μL of each (0.001-25 μm final concentration range) was inc...				Chem Biol Drug Des 88: 710-723 (2016) Article DOI: 10.1111/cbdd.12800 BindingDB Entry DOI: 10.7270/Q26D5RSX
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