Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM170163'   

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))	BDBM170163 (2-Chloro-10-((1-((3-(4-chlorophenyl)-1,2,4-oxadiaz...) Show SMILES Clc1ccc(cc1)-c1noc(Cn2cc(Cn3c4ccccc4c(=O)c4cc(Cl)ccc34)nn2)n1 Show InChI InChI=1S/C25H16Cl2N6O2/c26-16-7-5-15(6-8-16)25-28-23(35-30-25)14-32-12-18(29-31-32)13-33-21-4-2-1-3-19(21)24(34)20-11-17(27)9-10-22(20)33/h1-12H,13-14H2	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.49E+4	n/a	n/a	n/a	n/a	8.0	25
Tehran University of Medical Sciences					Assay Description To evaluate in vitro AChE activity, modified Ellman's method was performed using a 96-well plate reader (BioTek ELx808, Highland Park, IL, USA). ...				Chem Biol Drug Des 86: 1425-32 (2015) Article DOI: 10.1111/cbdd.12609 BindingDB Entry DOI: 10.7270/Q2SN07QM
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