Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Neuronal acetylcholine receptor subunit alpha-7' and Ligand = 'BDBM397127'   

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))	BDBM397127 (N-(1-azabicyclo[2.2.2]octan-3-yl)-1-(5-tert-butyl-...) Show SMILES CC(C)(C)c1cnc(s1)-n1cc(ccc1=O)C(=O)NC1CN2CCC1CC2 |(-7.67,2.49,;-6.9,1.15,;-7.67,-.18,;-6.13,2.49,;-5.36,1.15,;-4.46,2.4,;-2.99,1.92,;-2.99,.38,;-4.46,-.09,;-1.66,-.39,;-.33,.38,;1.01,-.39,;1.01,-1.93,;-.33,-2.7,;-1.66,-1.93,;-2.99,-2.7,;2.34,.38,;2.34,1.92,;3.67,-.39,;5.01,.38,;5.01,1.93,;6.34,2.7,;7.67,1.93,;7.67,.38,;6.34,-.39,;7.06,.96,;5.57,1.36,)| Show InChI InChI=1S/C20H26N4O2S/c1-20(2,3)16-10-21-19(27-16)24-11-14(4-5-17(24)25)18(26)22-15-12-23-8-6-13(15)7-9-23/h4-5,10-11,13,15H,6-9,12H2,1-3H3,(H,22,26)	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))	BDBM397127 (N-(1-azabicyclo[2.2.2]octan-3-yl)-1-(5-tert-butyl-...) Show SMILES CC(C)(C)c1cnc(s1)-n1cc(ccc1=O)C(=O)NC1CN2CCC1CC2 |(-7.67,2.49,;-6.9,1.15,;-7.67,-.18,;-6.13,2.49,;-5.36,1.15,;-4.46,2.4,;-2.99,1.92,;-2.99,.38,;-4.46,-.09,;-1.66,-.39,;-.33,.38,;1.01,-.39,;1.01,-1.93,;-.33,-2.7,;-1.66,-1.93,;-2.99,-2.7,;2.34,.38,;2.34,1.92,;3.67,-.39,;5.01,.38,;5.01,1.93,;6.34,2.7,;7.67,1.93,;7.67,.38,;6.34,-.39,;7.06,.96,;5.57,1.36,)| Show InChI InChI=1S/C20H26N4O2S/c1-20(2,3)16-10-21-19(27-16)24-11-14(4-5-17(24)25)18(26)22-15-12-23-8-6-13(15)7-9-23/h4-5,10-11,13,15H,6-9,12H2,1-3H3,(H,22,26)	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