Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50436805'   

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))	BDBM50436805 (CHEMBL3038171) Show SMILES CN1C\C(=C/c2cccc(Cl)c2Cl)C(=O)[C@]2(C1)[C@H]([C@@H]1CSCN1[C@@]21C(=O)c2cccc3cccc1c23)c1cccc(Cl)c1Cl |r| Show InChI InChI=1S/C35H26Cl4N2O2S/c1-40-15-21(14-20-8-4-12-25(36)30(20)38)32(42)34(17-40)29(23-10-5-13-26(37)31(23)39)27-16-44-18-41(27)35(34)24-11-3-7-19-6-2-9-22(28(19)24)33(35)43/h2-14,27,29H,15-18H2,1H3/b21-14+/t27-,29-,34-,35-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.91E+4	n/a	n/a	n/a	n/a	n/a	n/a
Madurai Kamaraj University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE after 30 mins by Ellman's method				Eur J Med Chem 65: 240-8 (2013) Article DOI: 10.1016/j.ejmech.2013.04.050 BindingDB Entry DOI: 10.7270/Q23T9JNC
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