Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neuronal acetylcholine receptor subunit alpha-7' and Ligand = 'BDBM50173942'   

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
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50173942 (CHEMBL195329 | N-[(3R)-1-azabicyclo[2.2.2]oct-3-yl...) Show SMILES O=C(N[C@H]1CN2CCC1CC2)c1ccc(s1)-c1ccccc1 |wD:3.2,THB:2:3:9.10:7.6,(.22,-.91,;-.34,-2.35,;-1.87,-2.56,;-2.82,-1.34,;-3.11,.06,;-4.46,.67,;-4.4,2.31,;-3.94,1.19,;-4.2,-.71,;-5.74,-1.36,;-5.94,.02,;.62,-3.55,;.19,-5.03,;1.48,-5.9,;2.69,-4.94,;2.15,-3.49,;4.17,-5.36,;4.17,-6.88,;5.49,-7.67,;6.84,-6.91,;6.84,-5.36,;5.5,-4.59,)| Show InChI InChI=1S/C18H20N2OS/c21-18(19-15-12-20-10-8-13(15)9-11-20)17-7-6-16(22-17)14-4-2-1-3-5-14/h1-7,13,15H,8-12H2,(H,19,21)/t15-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Ltd. Curated by ChEMBL					Assay Description Binding affinity towards human nicotinic acetylcholine receptor alpha 7 expressed in GH4C1 cell using [3H]methyllycaconitine				Bioorg Med Chem Lett 15: 4727-30 (2005) Article DOI: 10.1016/j.bmcl.2005.07.070 BindingDB Entry DOI: 10.7270/Q28K79W0
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