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PubMed code 17181165

Compile data set for download or QSAR
Found 2 hits of Enzyme Inhibition Constant Data   
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 [16-465]


(Rattus norvegicus (rat))
BDBM50201046
PNG
(5-{3-[4-(3-chlorophenyl)hexahydro-1-pyrazinyl]prop...)
Show SMILES Cc1noc2c(nn(CCCN3CCN(CC3)c3cccc(Cl)c3)c(=O)c12)-c1ccccc1
Show InChI InChI=1S/C25H26ClN5O2/c1-18-22-24(33-28-18)23(19-7-3-2-4-8-19)27-31(25(22)32)12-6-11-29-13-15-30(16-14-29)21-10-5-9-20(26)17-21/h2-5,7-10,17H,6,11-16H2,1H3
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UniProtKB/SwissProt

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AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Dipartimento di Scienze Farmaceutiche

Curated by ChEMBL


Assay Description
Binding affinity to adrenergic alpha2A receptor in Sprague-Dawley rat cortical membranes


J Med Chem 49: 7826-35 (2006)


Article DOI: 10.1021/jm060743g
BindingDB Entry DOI: 10.7270/Q29K49W5
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50201046
PNG
(5-{3-[4-(3-chlorophenyl)hexahydro-1-pyrazinyl]prop...)
Show SMILES Cc1noc2c(nn(CCCN3CCN(CC3)c3cccc(Cl)c3)c(=O)c12)-c1ccccc1
Show InChI InChI=1S/C25H26ClN5O2/c1-18-22-24(33-28-18)23(19-7-3-2-4-8-19)27-31(25(22)32)12-6-11-29-13-15-30(16-14-29)21-10-5-9-20(26)17-21/h2-5,7-10,17H,6,11-16H2,1H3
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UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 130n/an/an/an/an/an/a



Dipartimento di Scienze Farmaceutiche

Curated by ChEMBL


Assay Description
Inhibition of [3H]noradrenaline uptake in Sprague-Dawley rat brain synaptosomes


J Med Chem 49: 7826-35 (2006)


Article DOI: 10.1021/jm060743g
BindingDB Entry DOI: 10.7270/Q29K49W5
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%