Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50193535'   

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))	BDBM50193535 (CHEMBL3925814) Show SMILES CN1c2ccccc2C(NCCCCCCC(=O)NCCCCCCCNc2c3CCCCc3nc3cc(Cl)ccc23)c2ccc(Cl)cc2S1(=O)=O Show InChI InChI=1S/C41H51Cl2N5O3S/c1-48-37-18-11-9-16-33(37)41(34-23-21-30(43)28-38(34)52(48,50)51)46-26-14-6-3-7-19-39(49)44-24-12-4-2-5-13-25-45-40-31-15-8-10-17-35(31)47-36-27-29(42)20-22-32(36)40/h9,11,16,18,20-23,27-28,41,46H,2-8,10,12-15,17,19,24-26H2,1H3,(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	132	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
					More data for this Ligand-Target Pair