Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM258426'   

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))	BDBM258426 (US9512068, NDH4578) Show SMILES CC(C)(C)CCOC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl |r| Show InChI InChI=1S/C29H32Cl2N2O3/c1-29(2,3)16-17-36-28(35)25(18-20-10-5-4-6-11-20)32-26(34)19-21-12-7-8-15-24(21)33-27-22(30)13-9-14-23(27)31/h4-15,25,33H,16-19H2,1-3H3,(H,32,34)/t25-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.31E+3	n/a	n/a	n/a	n/a	8.0	n/a
RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY; LEHIGH UNIVERSITY US Patent					Assay Description The modified Ellman assay for inhibition of acetylcholinesterase (AChE) and the mouse ear vesication assay (MEVA) have been described in detail by us...				US Patent US9512068 (2016) BindingDB Entry DOI: 10.7270/Q2HH6J0B
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