Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neuronal acetylcholine receptor subunit alpha-7' and Ligand = 'BDBM50190794'   

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 (Rattus norvegicus (Rat))	BDBM50190794 (CHEMBL211572 | N-[(3R)-1-azabicyclo[2.2.2]oct-3-yl...) Show SMILES O=C(N[C@H]1CN2CCC1CC2)c1ccc2NCCc2c1 |wU:3.2,(-3.98,-5.4,;-3.98,-6.95,;-2.64,-7.71,;-1.31,-6.93,;-1.32,-5.4,;.02,-4.62,;1.36,-5.39,;1.36,-6.93,;.03,-7.7,;-.85,-6.56,;-.03,-5.76,;-5.31,-7.72,;-5.3,-9.27,;-6.64,-10.05,;-7.97,-9.28,;-9.44,-9.75,;-10.34,-8.5,;-9.44,-7.26,;-7.97,-7.74,;-6.65,-6.96,)| Show InChI InChI=1S/C16H21N3O/c20-16(13-1-2-14-12(9-13)3-6-17-14)18-15-10-19-7-4-11(15)5-8-19/h1-2,9,11,15,17H,3-8,10H2,(H,18,20)/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	83	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research & Development Curated by ChEMBL					Assay Description Displacement of [3H]MLA from alpha7 nAChR in Sprague-Dawley rat brain homogenates				J Med Chem 49: 4425-36 (2006) Article DOI: 10.1021/jm0602413 BindingDB Entry DOI: 10.7270/Q25B023S
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