Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-2A adrenergic receptor' and Ligand = 'BDBM50170194'   

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))	BDBM50170194 (CHEMBL367355 | trans-4-Bromo-N-{4-[(4-dimethylamin...) Show SMILES CN(C)c1nc(NCC2CCC(CNC(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 |(-4.27,-8.45,;-5.61,-9.22,;-6.96,-8.45,;-5.61,-10.76,;-4.27,-11.54,;-4.27,-13.08,;-2.92,-13.87,;-1.59,-13.09,;-.26,-13.87,;-.27,-15.39,;1.06,-16.16,;2.39,-15.42,;3.73,-16.19,;5.06,-15.41,;6.39,-16.18,;6.39,-17.72,;7.72,-15.39,;7.72,-13.87,;9.03,-13.08,;10.39,-13.84,;11.72,-13.05,;10.39,-15.39,;9.07,-16.16,;9.07,-17.71,;10.41,-18.48,;11.63,-19.17,;10.67,-20.06,;11.92,-17.89,;2.39,-13.87,;1.06,-13.09,;-5.61,-13.85,;-6.94,-13.08,;-8.28,-13.85,;-9.63,-13.08,;-9.63,-11.55,;-8.28,-10.76,;-6.94,-11.54,)| Show InChI InChI=1S/C26H29BrF3N5O2/c1-35(2)23-19-5-3-4-6-21(19)33-25(34-23)32-15-17-9-7-16(8-10-17)14-31-24(36)20-12-11-18(27)13-22(20)37-26(28,29)30/h3-6,11-13,16-17H,7-10,14-15H2,1-2H3,(H,31,36)(H,32,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9.90	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
					More data for this Ligand-Target Pair