Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Neuronal acetylcholine receptor subunit alpha-7' and Ligand = 'BDBM397117'   

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))	BDBM397117 (N-(1-azabicyclo[2.2.2]octan-3-yl)-1-(5-methyl-2-th...) Show SMILES Cc1cnc(s1)-n1cc(ccc1=O)C(=O)NC1CN2CCC1CC2 |(-7.29,1.15,;-5.75,1.15,;-4.84,2.4,;-3.38,1.92,;-3.38,.38,;-4.84,-.09,;-2.05,-.39,;-.71,.38,;.62,-.39,;.62,-1.93,;-.71,-2.7,;-2.05,-1.93,;-3.38,-2.7,;1.95,.38,;1.95,1.92,;3.29,-.39,;4.62,.38,;4.62,1.93,;5.96,2.7,;7.29,1.93,;7.29,.38,;5.96,-.39,;6.67,1.36,;5.19,1.36,)| Show InChI InChI=1S/C17H20N4O2S/c1-11-8-18-17(24-11)21-9-13(2-3-15(21)22)16(23)19-14-10-20-6-4-12(14)5-7-20/h2-3,8-9,12,14H,4-7,10H2,1H3,(H,19,23)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	300	n/a	n/a	n/a	n/a
SK BIOPHARMACEUTICALS CO., LTD. US Patent					Assay Description Activity of heteromeric α7 nAChR was measured via FlexStation-Ca2+ influx assay. In the present example, in consideration of α7 nAChR being...				US Patent US10456385 (2019) BindingDB Entry DOI: 10.7270/Q2V12762
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM397117 (N-(1-azabicyclo[2.2.2]octan-3-yl)-1-(5-methyl-2-th...) Show SMILES Cc1cnc(s1)-n1cc(ccc1=O)C(=O)NC1CN2CCC1CC2 |(-7.29,1.15,;-5.75,1.15,;-4.84,2.4,;-3.38,1.92,;-3.38,.38,;-4.84,-.09,;-2.05,-.39,;-.71,.38,;.62,-.39,;.62,-1.93,;-.71,-2.7,;-2.05,-1.93,;-3.38,-2.7,;1.95,.38,;1.95,1.92,;3.29,-.39,;4.62,.38,;4.62,1.93,;5.96,2.7,;7.29,1.93,;7.29,.38,;5.96,-.39,;6.67,1.36,;5.19,1.36,)| Show InChI InChI=1S/C17H20N4O2S/c1-11-8-18-17(24-11)21-9-13(2-3-15(21)22)16(23)19-14-10-20-6-4-12(14)5-7-20/h2-3,8-9,12,14H,4-7,10H2,1H3,(H,19,23)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	300	n/a	n/a	n/a	n/a
Yale University					Assay Description On the day of the assay, after removal of the growth media, the cells were washed once with an assay buffer (7 mM Tris-Cl, 20 mM HEPES, 20 mM NaCl, 5...				Bioorg Med Chem 17: 1764-71 (2009) BindingDB Entry DOI: 10.7270/Q2X92DNB
					More data for this Ligand-Target Pair