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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Alpha-2A adrenergic receptor' and Ligand = 'BDBM50473228'   
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))
BDBM50473228
PNG
(AGN-190837 | CHEMBL297752)
Show SMILES CCC[C@H]1CCCC[C@@H]1NC1=NCCO1 |t:11|
Show InChI InChI=1S/C12H22N2O/c1-2-5-10-6-3-4-7-11(10)14-12-13-8-9-15-12/h10-11H,2-9H2,1H3,(H,13,14)/t10-,11-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
3n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against human Alpha-2A adrenergic receptor expressed in LM(tk-) cells using [3H]rauwolscine


J Med Chem 43: 1699-704 (2000)


Article DOI: 10.1021/jm9905256
BindingDB Entry DOI: 10.7270/Q2D221C4
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50473228
PNG
(AGN-190837 | CHEMBL297752)
Show SMILES CCC[C@H]1CCCC[C@@H]1NC1=NCCO1 |t:11|
Show InChI InChI=1S/C12H22N2O/c1-2-5-10-6-3-4-7-11(10)14-12-13-8-9-15-12/h10-11H,2-9H2,1H3,(H,13,14)/t10-,11-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.60n/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Alpha-2A adrenergic receptor agonism measured as ability to inhibit forskolin-stimulated synthesis of cAMP


J Med Chem 43: 1699-704 (2000)


Article DOI: 10.1021/jm9905256
BindingDB Entry DOI: 10.7270/Q2D221C4
More data for this
Ligand-Target Pair