Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50193537'   

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 (Rattus norvegicus (rat))	BDBM50193537 (CHEMBL3924713) Show SMILES CN1c2ccccc2C(NCCCCCCC(=O)NCCCCCCCCNc2c3CCCCc3nc3ccccc23)c2ccc(Cl)cc2S1(=O)=O Show InChI InChI=1S/C42H54ClN5O3S/c1-48-38-23-14-11-20-34(38)42(35-26-25-31(43)30-39(35)52(48,50)51)46-29-17-7-4-8-24-40(49)44-27-15-5-2-3-6-16-28-45-41-32-18-9-12-21-36(32)47-37-22-13-10-19-33(37)41/h9,11-12,14,18,20-21,23,25-26,30,42,46H,2-8,10,13,15-17,19,22,24,27-29H2,1H3,(H,44,49)(H,45,47)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	87	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio Grande do Sul Curated by ChEMBL					Assay Description Inhibition of Wistar rat brain AChE using acetylthiochloline iodide as substrate after 30 mins by Ellman's method				Eur J Med Chem 121: 758-772 (2016) Article DOI: 10.1016/j.ejmech.2016.06.025 BindingDB Entry DOI: 10.7270/Q2X92D8D
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