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 = 'BDBM50534297'   

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))	BDBM50534297 (CHEMBL4443082) Show SMILES FCCOc1cccc(c1)-c1cn(nn1)[C@@H]1CN2CCC1CC2 |r,wD:15.16,THB:12:15:18.19:22.21,(49.8,-30.19,;48.26,-30.18,;47.48,-31.51,;45.94,-31.51,;45.18,-30.17,;45.95,-28.84,;45.18,-27.5,;43.64,-27.5,;42.88,-28.83,;43.64,-30.16,;41.34,-28.82,;40.29,-29.95,;38.89,-29.3,;39.07,-27.77,;40.59,-27.47,;37.55,-30.05,;37.35,-31.44,;35.81,-30.78,;34.44,-31.41,;34.73,-30.02,;36.07,-29.41,;36.01,-27.77,;35.56,-28.88,)| Show InChI InChI=1S/C17H21FN4O/c18-6-9-23-15-3-1-2-14(10-15)16-11-22(20-19-16)17-12-21-7-4-13(17)5-8-21/h1-3,10-11,13,17H,4-9,12H2/t17-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	12	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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