Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50393862'   

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))	BDBM50393862 (CHEMBL2158118) Show SMILES CCN(CCCCNc1c2CCCCc2nc2ccccc12)CC(=O)Nc1nc(cs1)-c1ccccc1 Show InChI InChI=1S/C30H35N5OS/c1-2-35(20-28(36)34-30-33-27(21-37-30)22-12-4-3-5-13-22)19-11-10-18-31-29-23-14-6-8-16-25(23)32-26-17-9-7-15-24(26)29/h3-6,8,12-14,16,21H,2,7,9-11,15,17-20H2,1H3,(H,31,32)(H,33,34,36)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	158	n/a	n/a	n/a	n/a	n/a	n/a
Huazhong University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine chloride substrate incubated for 5 mins before substrate addition measured at 3 min interval ...				Bioorg Med Chem 20: 6513-22 (2012) Article DOI: 10.1016/j.bmc.2012.08.040 BindingDB Entry DOI: 10.7270/Q20Z74DZ
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