Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50256495'   

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 (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM50256495 (CHEMBL4080492) Show SMILES CC(=O)CC(=O)NCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C19H23N3O2/c1-13(23)12-18(24)20-10-11-21-19-14-6-2-4-8-16(14)22-17-9-5-3-7-15(17)19/h2,4,6,8H,3,5,7,9-12H2,1H3,(H,20,24)(H,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	460	n/a	n/a	n/a	n/a	n/a	n/a
Department of Natural Medicinal Chemistry, China Pharmaceutical University, Nanjing 210009, PR China; Jiangsu Province Hi-Tech Key Laboratory for Bio-medical Research, School of Chemistry and Chemica Curated by ChEMBL					Assay Description Inhibition of Torpedo californica AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured at...				Bioorg Med Chem 25: 2387-2398 (2017) Article DOI: 10.1016/j.bmc.2017.02.049 BindingDB Entry DOI: 10.7270/Q2GQ717D
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