Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50439097'   

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))	BDBM50439097 (CHEMBL1987383) Show SMILES CCN1CC2C(NC(=S)N=C2C(C1)=Cc1ccc(Cl)cc1)c1ccc(Cl)cc1 |w:13.15,c:9| Show InChI InChI=1S/C22H21Cl2N3S/c1-2-27-12-16(11-14-3-7-17(23)8-4-14)21-19(13-27)20(25-22(28)26-21)15-5-9-18(24)10-6-15/h3-11,19-20H,2,12-13H2,1H3,(H,25,28)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.29E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universiti Sains Malaysia Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition measured after 30...				Eur J Med Chem 67: 221-9 (2013) Article DOI: 10.1016/j.ejmech.2013.06.054 BindingDB Entry DOI: 10.7270/Q2VH5Q78
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