Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-2A adrenergic receptor' and Ligand = 'BDBM50170177'   

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))	BDBM50170177 (CHEMBL360117 | trans-4-Bromo-N-{4-[(4-dimethylamin...) Show SMILES CN(C)c1nc(NCC2CCC(CNCc3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 |(-6.75,-12.89,;-5.42,-13.66,;-4.07,-12.89,;-5.42,-15.21,;-4.07,-15.98,;-4.07,-17.52,;-2.73,-18.32,;-1.39,-17.54,;-.06,-18.31,;1.27,-17.54,;2.6,-18.32,;2.6,-19.86,;3.94,-20.63,;5.27,-19.85,;6.6,-20.62,;7.93,-19.84,;7.91,-18.31,;9.24,-17.52,;10.59,-18.28,;11.92,-17.5,;10.6,-19.83,;9.27,-20.61,;9.27,-22.15,;10.62,-22.92,;11.84,-23.62,;10.88,-24.5,;12.12,-22.34,;1.26,-20.61,;-.06,-19.84,;-5.42,-18.29,;-6.75,-17.52,;-8.08,-18.29,;-9.41,-17.52,;-9.41,-15.99,;-8.08,-15.21,;-6.75,-15.98,)| Show InChI InChI=1S/C26H31BrF3N5O/c1-35(2)24-21-5-3-4-6-22(21)33-25(34-24)32-15-18-9-7-17(8-10-18)14-31-16-19-11-12-20(27)13-23(19)36-26(28,29)30/h3-6,11-13,17-18,31H,7-10,14-16H2,1-2H3,(H,32,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	31	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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