Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50050568'   

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...)	BDBM50050568 (CHEMBL3311549) Show SMILES [H][C@@]12CC=C(CO)[C@H](CC[C@H](C)CC(=O)OCCCCN3CCCCC3)[C@@]1(C)CCCC2(C)C |r,t:3| Show InChI InChI=1S/C29H51NO3/c1-23(21-27(32)33-20-9-8-19-30-17-6-5-7-18-30)11-13-25-24(22-31)12-14-26-28(2,3)15-10-16-29(25,26)4/h12,23,25-26,31H,5-11,13-22H2,1-4H3/t23-,25-,26-,29+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional del Sur Curated by ChEMBL					Assay Description Inhibition of Torpedo californica AChE by spectrophotometry based Ellman's method				Bioorg Med Chem 22: 3838-49 (2014) Article DOI: 10.1016/j.bmc.2014.06.030 BindingDB Entry DOI: 10.7270/Q2VT1TQC
					More data for this Ligand-Target Pair