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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-2A adrenergic receptor' and Ligand = 'BDBM50170183'   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Alpha-2A adrenergic receptor


(Homo sapiens (Human))		BDBM50170183
PNG
(CHEMBL181632 | N-[4-(4-Dimethylamino-quinazolin-2-...)
Show SMILES CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2cccc(c2)C(F)(F)F)nc2ccccc12 |wU:10.13,7.6,(2.19,2.63,;.86,1.86,;-.48,2.61,;.87,.32,;2.2,-.45,;2.22,-1.99,;3.55,-2.75,;4.88,-1.99,;6.21,-2.76,;7.54,-1.99,;7.54,-.45,;6.21,.32,;4.88,-.45,;8.89,.32,;10.22,-.45,;10.22,-1.99,;11.55,.32,;12.89,-.45,;14.22,.32,;14.22,1.86,;12.86,2.63,;11.55,1.84,;12.86,4.17,;12.86,5.57,;14.1,5.18,;11.62,5.17,;.89,-2.78,;-.46,-2.01,;-1.79,-2.78,;-3.12,-2.01,;-3.12,-.47,;-1.79,.3,;-.46,-.47,)|
Show InChI InChI=1S/C24H26F3N5O/c1-32(2)21-19-8-3-4-9-20(19)30-23(31-21)29-18-12-10-17(11-13-18)28-22(33)15-6-5-7-16(14-15)24(25,26)27/h3-9,14,17-18H,10-13H2,1-2H3,(H,28,33)(H,29,30,31)/t17-,18+
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Article
PubMed
n/an/a 60n/an/an/an/an/an/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