Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50445697'   

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))	BDBM50445697 (CHEMBL3104335) Show SMILES COc1ccc(cc1)C1=CSC2=NC3=C(CNC\C3=C/c3ccc(Cl)cc3)C(N12)c1ccc(Cl)cc1 |t:9,12,14| Show InChI InChI=1S/C29H23Cl2N3OS/c1-35-24-12-6-19(7-13-24)26-17-36-29-33-27-21(14-18-2-8-22(30)9-3-18)15-32-16-25(27)28(34(26)29)20-4-10-23(31)11-5-20/h2-14,17,28,32H,15-16H2,1H3/b21-14+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.44E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universiti Sains Malaysia Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus acetylcholinesterase using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrat...				Bioorg Med Chem 22: 906-16 (2014) Article DOI: 10.1016/j.bmc.2013.11.020 BindingDB Entry DOI: 10.7270/Q23R0VBZ
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