Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50092610'   

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
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50092610 (CHEMBL3586261) Show SMILES [H][C@@]12O[C@]1([H])[C@@]13CCN(Cc4cc5OCOc5c(OC)c14)[C@]3([H])C[C@H]2OC |r| Show InChI InChI=1S/C18H21NO5/c1-20-10-6-12-18(17-15(10)24-17)3-4-19(12)7-9-5-11-14(23-8-22-11)16(21-2)13(9)18/h5,10,12,15,17H,3-4,6-8H2,1-2H3/t10-,12-,15+,17+,18-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Charles University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine as substrate assessed as concentration of 5-thio-2-nitrobenzoic acid ion formed by spectropho...				J Nat Prod 78: 1189-92 (2015) Article DOI: 10.1021/acs.jnatprod.5b00191 BindingDB Entry DOI: 10.7270/Q2H70HKH
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