Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM10446'   

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 (Rattus norvegicus (rat))	BDBM10446 (2-methyl-N-{9-[(2-methylquinolin-4-yl)amino]nonyl}...) Show SMILES Cc1cc(NCCCCCCCCCNc2cc(C)nc3ccccc23)c2ccccc2n1 Show InChI InChI=1S/C29H36N4/c1-22-20-28(24-14-8-10-16-26(24)32-22)30-18-12-6-4-3-5-7-13-19-31-29-21-23(2)33-27-17-11-9-15-25(27)29/h8-11,14-17,20-21H,3-7,12-13,18-19H2,1-2H3,(H,30,32)(H,31,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	54.1	n/a	n/a	n/a	n/a	7.4	37
Hong Kong University of Science and Technology					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at...				Bioorg Med Chem 7: 2569-75 (1999) Article DOI: 10.1016/s0968-0896(99)00178-9 BindingDB Entry DOI: 10.7270/Q22N50GZ
					More data for this Ligand-Target Pair