Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-2A adrenergic receptor' and Ligand = 'BDBM50170184'   

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))	BDBM50170184 (4-Bromo-N-[4-(4-dimethylamino-quinazolin-2-ylamino...) Show SMILES CN(C)c1nc(N[C@H]2CC[C@H](CC2)NS(=O)(=O)c2ccc(Br)cc2OC(F)(F)F)nc2ccccc12 |wU:7.6,10.13,(1.6,-1.57,;2.94,-2.34,;4.28,-1.57,;2.95,-3.89,;4.28,-4.66,;4.3,-6.2,;5.64,-6.97,;6.97,-6.2,;6.99,-4.68,;8.3,-3.91,;9.63,-4.68,;9.63,-6.22,;8.3,-6.97,;10.97,-3.91,;12.3,-3.14,;13.63,-2.34,;10.8,-2.74,;13.79,-3.51,;13.79,-5.06,;15.14,-5.83,;16.46,-5.06,;17.81,-5.8,;16.46,-3.49,;15.1,-2.74,;15.09,-1.2,;16.43,-.41,;16.69,1.18,;17.65,.3,;17.93,-.97,;2.97,-6.97,;1.62,-6.2,;.29,-6.99,;-1.04,-6.22,;-1.04,-4.68,;.29,-3.89,;1.62,-4.66,)| Show InChI InChI=1S/C23H25BrF3N5O3S/c1-32(2)21-17-5-3-4-6-18(17)29-22(30-21)28-15-8-10-16(11-9-15)31-36(33,34)20-12-7-14(24)13-19(20)35-23(25,26)27/h3-7,12-13,15-16,31H,8-11H2,1-2H3,(H,28,29,30)/t15-,16+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	57	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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