Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50114381'   

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...)	BDBM50114381 (CHEMBL3604348) Show SMILES [H][C@]12C[C@@H](O)C=C[C@]11CCN(CC(C)c3cccc(Oc4ccccc4)c3)Cc3ccc(OC)c(O2)c13 |r,c:5| Show InChI InChI=1S/C31H33NO4/c1-21(22-7-6-10-26(17-22)35-25-8-4-3-5-9-25)19-32-16-15-31-14-13-24(33)18-28(31)36-30-27(34-2)12-11-23(20-32)29(30)31/h3-14,17,21,24,28,33H,15-16,18-20H2,1-2H3/t21?,24-,28-,31-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Sofia Curated by ChEMBL					Assay Description Inhibition of Torpedo californica AChE using ATCI substrate incubated for 30 mins by Ellman's method based spectrophotometry				Bioorg Med Chem 23: 5382-9 (2015) Article DOI: 10.1016/j.bmc.2015.07.058 BindingDB Entry DOI: 10.7270/Q2X92D35
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