Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM82305'   

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 (Torpedo marmorata (Marbled electric ray))	BDBM82305 (Terephthalaldehyde, 4-I-4) Show SMILES O=C(C[n+]1ccccc1)NN=Cc1ccc(C=NNC(=O)C[n+]2ccccc2)cc1 |w:10.10,16.16| Show InChI InChI=1S/C22H20N6O2/c29-21(17-27-11-3-1-4-12-27)25-23-15-19-7-9-20(10-8-19)16-24-26-22(30)18-28-13-5-2-6-14-28/h1-16H,17-18H2/p+2	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	4.0	25
Université Louis Pasteur					Assay Description The inhibitory activity of the equilibrated mixtures was determined. The activity of AChE was monitored by following the linear change in absorbance...				Chembiochem 2: 438-44 (2001) Article DOI: 10.1002/1439-7633(20010601)2 BindingDB Entry DOI: 10.7270/Q2J964W8
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