Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50422386'   

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 (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM50422386 (CHEMBL4169820) Show SMILES Cc1cccc(C[n+]2cccc(Cn3c4CCCCc4c4ccccc34)c2)c1 Show InChI InChI=1S/C52H78N4O2/c1-4-5-6-7-8-12-21-36-56(44-50-30-15-17-32-52(50)58-3)37-22-13-11-20-34-54-42-48-28-24-26-46(40-48)38-45-25-23-27-47(39-45)41-53-33-18-9-10-19-35-55-43-49-29-14-16-31-51(49)57-2/h14-17,23-32,39-40,53-55H,4-13,18-22,33-38,41-44H2,1-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.68E+4	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of Torpedo californica AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured f...				Eur J Med Chem 155: 49-60 (2018) Article DOI: 10.1016/j.ejmech.2018.05.031 BindingDB Entry DOI: 10.7270/Q2765HWM
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