Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholine-binding protein' and Ligand = 'BDBM50088454'   

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
Acetylcholine-binding protein (Lymnaea stagnalis)	BDBM50088454 (1-(6-Bromo-pyridin-3-yl)-[1,4]diazepane | 1-(6-bro...) Show SMILES Brc1ccc(cn1)N1CCCNCC1 Show InChI InChI=1S/C10H14BrN3/c11-10-3-2-9(8-13-10)14-6-1-4-12-5-7-14/h2-3,8,12H,1,4-7H2	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen					Assay Description Binding affinities for alpha 4 beta 2 nAChR were determined in tissue suspension of rat cortical membranes using 1 nM [3H]cytisine. Binding affiniti...				J Biol Chem 287: 4248-59 (2012) Article DOI: 10.1074/jbc.M111.292243 BindingDB Entry DOI: 10.7270/Q2J964Z5
					More data for this Ligand-Target Pair				3D Structure (crystal)