Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neuronal acetylcholine receptor subunit alpha-7' and Ligand = 'BDBM50173956'   

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))	BDBM50173956 (CHEMBL370535 | 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,(.02,-.24,;-.55,-1.68,;-2.07,-1.9,;-3.03,-.69,;-3.31,.72,;-4.67,1.32,;-4.6,2.96,;-4.14,1.85,;-4.4,-.05,;-5.94,-.71,;-6.14,.67,;.41,-2.88,;-.02,-4.38,;1.27,-5.24,;2.49,-4.28,;1.95,-2.83,;3.96,-4.7,;3.96,-6.23,;5.29,-7,;6.62,-6.24,;6.64,-4.7,;5.29,-3.93,)| 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 Similars	Article PubMed	1.80	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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