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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Alpha-2C adrenergic receptor' and Ligand = 'BDBM50473154'   
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))
BDBM50473154
PNG
(CHEMBL14107)
Show SMILES C=CCc1ccccc1OCC1=NCCN1 |t:12|
Show InChI InChI=1S/C13H16N2O/c1-2-5-11-6-3-4-7-12(11)16-10-13-14-8-9-15-13/h2-4,6-7H,1,5,8-10H2,(H,14,15)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
71n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Binding affinity at human alpha2C AR


ACS Med Chem Lett 4: 875-9 (2013)


Article DOI: 10.1021/ml400232p
BindingDB Entry DOI: 10.7270/Q2H134ZZ
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50473154
PNG
(CHEMBL14107)
Show SMILES C=CCc1ccccc1OCC1=NCCN1 |t:12|
Show InChI InChI=1S/C13H16N2O/c1-2-5-11-6-3-4-7-12(11)16-10-13-14-8-9-15-13/h2-4,6-7H,1,5,8-10H2,(H,14,15)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 62n/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Agonist activity at human alpha2C AR


ACS Med Chem Lett 4: 875-9 (2013)


Article DOI: 10.1021/ml400232p
BindingDB Entry DOI: 10.7270/Q2H134ZZ
More data for this
Ligand-Target Pair