Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50523379'   

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 (Homo sapiens (Human))	BDBM50523379 (CHEMBL4467355) Show SMILES Cl.Cl.COc1ccc2nc3CCCCc3c(NCCCCCCNC(=O)[C@@H](N)Cc3c[nH]c4ccccc34)c2c1 |r| Show InChI InChI=1S/C31H39N5O2.2ClH/c1-38-22-14-15-29-25(19-22)30(24-11-5-7-13-28(24)36-29)33-16-8-2-3-9-17-34-31(37)26(32)18-21-20-35-27-12-6-4-10-23(21)27;;/h4,6,10,12,14-15,19-20,26,35H,2-3,5,7-9,11,13,16-18,32H2,1H3,(H,33,36)(H,34,37);2*1H/t26-;;/m0../s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	940	n/a	n/a	n/a	n/a	n/a	n/a
University of Hradec Kralove Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition and measured ...				Eur J Med Chem 168: 491-514 (2019) Article DOI: 10.1016/j.ejmech.2019.02.021 BindingDB Entry DOI: 10.7270/Q2RV0S3X
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