Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50262454'   

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 (Electrophorus electricus (Electric eel))	BDBM50262454 (11-Amino-3,3-dimethyl-12-phenyl-2,3,4,7,8,9,10,12-...) Show SMILES CC1(C)CC(=O)C2=C(C1)Oc1nc3CCCCc3c(N)c1C2c1ccccc1 |c:6| Show InChI InChI=1S/C24H26N2O2/c1-24(2)12-17(27)20-18(13-24)28-23-21(19(20)14-8-4-3-5-9-14)22(25)15-10-6-7-11-16(15)26-23/h3-5,8-9,19H,6-7,10-13H2,1-2H3,(H2,25,26)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
CSIC) Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE by spectrophotometry				Bioorg Med Chem 16: 7759-69 (2008) Article DOI: 10.1016/j.bmc.2008.07.005 BindingDB Entry DOI: 10.7270/Q2DZ096D
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