Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM225277'   

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 (Homo sapiens (Human))	BDBM225277 (5-Methoxy-2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-...) Show SMILES COc1ccc2[nH]c(nc2c1)-c1ccc(cc1)N1CCN(C)CC1 Show InChI InChI=1S/C19H22N4O/c1-22-9-11-23(12-10-22)15-5-3-14(4-6-15)19-20-17-8-7-16(24-2)13-18(17)21-19/h3-8,13H,9-12H2,1-2H3,(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	2.29E+5	n/a	n/a	n/a	n/a	8.0	25
Hacettepe University					Assay Description Reactions were performed in a mediumcontaining substrate (0.05-0.4 mM) combined with 0.125 mM DTNB in 100 mM 3-(N-morpholino)propanesulfonic acid buf...				Bioorg Chem 72: 208-214 (2017) BindingDB Entry DOI: 10.7270/Q2JM28HK
					More data for this Ligand-Target Pair