Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50445712'   

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))	BDBM50445712 (CHEMBL3104320) Show SMILES Fc1ccc(cc1)C1=CSC2=NC3=C(CNC\C3=C/c3ccccc3Cl)C(N12)c1ccccc1Cl |t:8,11,13| Show InChI InChI=1S/C28H20Cl2FN3S/c29-23-7-3-1-5-18(23)13-19-14-32-15-22-26(19)33-28-34(27(22)21-6-2-4-8-24(21)30)25(16-35-28)17-9-11-20(31)12-10-17/h1-13,16,27,32H,14-15H2/b19-13+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.03E+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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