Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50445702'   

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))	BDBM50445702 (CHEMBL3104330) Show SMILES Fc1ccc(\C=C2/CNCC3=C2N=C2SC=C(N2C3c2ccc(F)cc2)c2ccc(Cl)cc2)cc1 |c:10,16,t:13| Show InChI InChI=1S/C28H20ClF2N3S/c29-21-7-3-18(4-8-21)25-16-35-28-33-26-20(13-17-1-9-22(30)10-2-17)14-32-15-24(26)27(34(25)28)19-5-11-23(31)12-6-19/h1-13,16,27,32H,14-15H2/b20-13+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.03E+4	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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