Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50430528'   

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))	BDBM50430528 (CHEMBL2336434) Show SMILES Fc1ccc(cc1)-c1nc(c(-c2ccccc2)n1CCCCCCCNc1c2CCCCc2nc2ccccc12)-c1ccccc1 Show InChI InChI=1S/C41H41FN4/c42-33-26-24-32(25-27-33)41-45-38(30-16-6-4-7-17-30)40(31-18-8-5-9-19-31)46(41)29-15-3-1-2-14-28-43-39-34-20-10-12-22-36(34)44-37-23-13-11-21-35(37)39/h4-10,12,16-20,22,24-27H,1-3,11,13-15,21,23,28-29H2,(H,43,44)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	39	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 AChE in Wistar rat brain cortex using acetylthiocholine iodide as substrate by Ellman's colorimetric method				Eur J Med Chem 62: 556-63 (2013) Article DOI: 10.1016/j.ejmech.2013.01.029 BindingDB Entry DOI: 10.7270/Q25Q4XFX
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