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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-2C adrenergic receptor' and Ligand = 'BDBM398512'   
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-2C adrenergic receptor


(Homo sapiens (Human))		BDBM398512
PNG
((rac)-[4-(3,4-Dihydroisoquinolin-2(1H)-yl)piperidi...)
Show SMILES CCC(COC)Nc1ncc(cn1)C(=O)N1CCC(CC1)N1CCc2ccccc2C1
Show InChI InChI=1S/C24H33N5O2/c1-3-21(17-31-2)27-24-25-14-20(15-26-24)23(30)28-12-9-22(10-13-28)29-11-8-18-6-4-5-7-19(18)16-29/h4-7,14-15,21-22H,3,8-13,16-17H2,1-2H3,(H,25,26,27)
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 31n/an/an/an/an/an/a



The Scripps Research Institute



Assay Description
Antagonism against the adrenoreceptor α1A was tested using a recombinant human α1A receptor CHO cell line which additionally also recombina...

Bioorg Med Chem Lett 19: 3344-7 (2009)


BindingDB Entry DOI: 10.7270/Q2PN9803
More data for this
Ligand-Target Pair