Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM29392'   

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))	BDBM29392 (tacrine-dihydropyridine hybrid (tacripyrine), 3) Show SMILES CCOC(=O)C1C(c2ccccc2C(F)(F)F)c2c(N)c3CCCCc3nc2N=C1C |c:31| Show InChI InChI=1S/C23H24F3N3O2/c1-3-31-22(30)17-12(2)28-21-19(20(27)14-9-5-7-11-16(14)29-21)18(17)13-8-4-6-10-15(13)23(24,25)26/h4,6,8,10,17-18H,3,5,7,9,11H2,1-2H3,(H2,27,29)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
CSIC					Assay Description The inhibitory activity of the compounds towards AChE was determined following the spectrophotometric method of Rappaport using purified AChE from Ee...				J Med Chem 52: 2724-32 (2009) Article DOI: 10.1021/jm801292b BindingDB Entry DOI: 10.7270/Q2C827NZ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM29392 (tacrine-dihydropyridine hybrid (tacripyrine), 3) Show SMILES CCOC(=O)C1C(c2ccccc2C(F)(F)F)c2c(N)c3CCCCc3nc2N=C1C |c:31| Show InChI InChI=1S/C23H24F3N3O2/c1-3-31-22(30)17-12(2)28-21-19(20(27)14-9-5-7-11-16(14)29-21)18(17)13-8-4-6-10-15(13)23(24,25)26/h4,6,8,10,17-18H,3,5,7,9,11H2,1-2H3,(H2,27,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	226	n/a	n/a	n/a	n/a	7.2	22
CSIC					Assay Description The inhibitory activity of the compounds towards hAChE was determined following the method of Ellman using AChE from human serum and acetylthiocholin...				J Med Chem 52: 2724-32 (2009) Article DOI: 10.1021/jm801292b BindingDB Entry DOI: 10.7270/Q2C827NZ
					More data for this Ligand-Target Pair