Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neuronal acetylcholine receptor subunit alpha-4/beta-2' and Ligand = 'BDBM50500407'   

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-4/beta-2 (Homo sapiens (Human))	BDBM50500407 (CHEMBL3746799) Show SMILES C1CN2CCC1C(C2)n1cc(nn1)-c1ccc2[nH]ccc2c1 |(5.21,-2.38,;5.21,-4.01,;3.81,-4.82,;4.33,-3.38,;3.26,-2.73,;3.81,-1.57,;2.43,-2.41,;2.41,-4.02,;1.04,-1.6,;-.33,-2.26,;-1.38,-1.13,;-.63,.22,;.88,-.08,;-2.91,-1.31,;-3.61,-2.67,;-5.16,-2.76,;-5.99,-1.45,;-7.5,-1.2,;-7.73,.32,;-6.37,.99,;-5.29,-.09,;-3.75,.01,)| Show InChI InChI=1S/C17H19N5/c1-2-15-14(3-6-18-15)9-13(1)16-10-22(20-19-16)17-11-21-7-4-12(17)5-8-21/h1-3,6,9-10,12,17-18H,4-5,7-8,11H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	750	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universite Orleans Curated by ChEMBL					Assay Description Displacement of [3H]cytisine from human recombinant alpha4beta2 nicotinic receptor expressed in SH-SY5Y cells after 120 mins by scintillation countin...				Eur J Med Chem 107: 153-64 (2016) Article DOI: 10.1016/j.ejmech.2015.11.001 BindingDB Entry DOI: 10.7270/Q2TF01CW
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