Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-2A adrenergic receptor' and Ligand = 'BDBM50170196'   

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
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50170196 (CHEMBL182235 | trans-N*2*-(4-{[(4-Bromo-2-trifluor...) Show SMILES CN(CC1CCC(CNc2nc(N(C)C)c3ccccc3n2)CC1)Cc1ccc(Br)cc1OC(F)(F)F |(4.32,-25.77,;4.33,-27.31,;3,-28.08,;1.66,-27.31,;1.66,-25.77,;.33,-25,;-1,-25.77,;-2.33,-25,;-3.66,-25.77,;-4.99,-24.99,;-4.99,-23.45,;-6.34,-22.67,;-6.34,-21.14,;-7.67,-20.37,;-4.99,-20.37,;-7.67,-23.45,;-9,-22.67,;-10.33,-23.45,;-10.33,-24.99,;-9,-25.76,;-7.67,-24.99,;-6.34,-25.76,;-1,-27.31,;.33,-28.08,;5.66,-28.08,;6.99,-27.31,;6.96,-25.77,;8.29,-24.98,;9.64,-25.75,;10.97,-24.97,;9.65,-27.29,;8.32,-28.06,;8.32,-29.6,;9.66,-30.37,;10.88,-31.07,;9.93,-31.96,;11.16,-29.79,)| Show InChI InChI=1S/C27H33BrF3N5O/c1-35(2)25-22-6-4-5-7-23(22)33-26(34-25)32-15-18-8-10-19(11-9-18)16-36(3)17-20-12-13-21(28)14-24(20)37-27(29,30)31/h4-7,12-14,18-19H,8-11,15-17H2,1-3H3,(H,32,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co. Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against alpha-2A adrenergic receptor by using [3H]MK-912 as radioligand expressed in COS-1 cells				Bioorg Med Chem Lett 15: 3853-6 (2005) Article DOI: 10.1016/j.bmcl.2005.05.121 BindingDB Entry DOI: 10.7270/Q23R0TM4
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