Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neuronal acetylcholine receptor subunit alpha-3/beta-4' and Ligand = 'BDBM50534284'   

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-3/beta-4 (Homo sapiens (Human))	BDBM50534284 (CHEMBL4468804) Show SMILES C(Oc1cccc(c1)-c1cn(nn1)C1CN2CCC1CC2)c1ccccc1 |THB:10:13:16.17:20.19,(13.19,-47.14,;11.65,-47.14,;10.89,-45.8,;11.66,-44.46,;10.89,-43.12,;9.35,-43.12,;8.59,-44.45,;9.35,-45.79,;7.04,-44.45,;6,-45.58,;4.6,-44.93,;4.78,-43.4,;6.29,-43.1,;3.25,-45.68,;3.05,-47.07,;1.52,-46.41,;.15,-47.04,;.43,-45.64,;1.78,-45.04,;1.71,-43.4,;1.26,-44.51,;13.95,-48.48,;13.17,-49.81,;13.94,-51.14,;15.48,-51.15,;16.26,-49.81,;15.49,-48.48,)| Show InChI InChI=1S/C22H24N4O/c1-2-5-17(6-3-1)16-27-20-8-4-7-19(13-20)21-14-26(24-23-21)22-15-25-11-9-18(22)10-12-25/h1-8,13-14,18,22H,9-12,15-16H2	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mahidol University Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from human alpha3beta4 nAChR transfected in HEK293 cell membranes after 120 mins by liquid scintillation counting				ACS Med Chem Lett 7: 890-895 (2016) Article DOI: 10.1021/acsmedchemlett.6b00146 BindingDB Entry DOI: 10.7270/Q2ZW1QDQ
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