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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 328.4
BDBM50412257

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 5 hits in this display   
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))
BDBM50412257
PNG
(CHEMBL523048)
Show SMILES C1CN=C(N1)C(Oc1ccccc1-c1ccccc1)c1ccccc1 |c:2|
Show InChI InChI=1S/C22H20N2O/c1-3-9-17(10-4-1)19-13-7-8-14-20(19)25-21(22-23-15-16-24-22)18-11-5-2-6-12-18/h1-14,21H,15-16H2,(H,23,24)
PDB

UniProtKB/SwissProt

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Article
PubMed
204n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]RS79948-197 from human recombinant adrenergic Alpha-2C receptor expressed in CHO cells


J Med Chem 51: 4289-99 (2008)


Article DOI: 10.1021/jm800250z
BindingDB Entry DOI: 10.7270/Q2HQ4147
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50412257
PNG
(CHEMBL523048)
Show SMILES C1CN=C(N1)C(Oc1ccccc1-c1ccccc1)c1ccccc1 |c:2|
Show InChI InChI=1S/C22H20N2O/c1-3-9-17(10-4-1)19-13-7-8-14-20(19)25-21(22-23-15-16-24-22)18-11-5-2-6-12-18/h1-14,21H,15-16H2,(H,23,24)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
240n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]RS79948-197 from human recombinant adrenergic alpha2A receptor expressed in CHO cells


J Med Chem 51: 4289-99 (2008)


Article DOI: 10.1021/jm800250z
BindingDB Entry DOI: 10.7270/Q2HQ4147
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50412257
PNG
(CHEMBL523048)
Show SMILES C1CN=C(N1)C(Oc1ccccc1-c1ccccc1)c1ccccc1 |c:2|
Show InChI InChI=1S/C22H20N2O/c1-3-9-17(10-4-1)19-13-7-8-14-20(19)25-21(22-23-15-16-24-22)18-11-5-2-6-12-18/h1-14,21H,15-16H2,(H,23,24)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
955n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]RS79948-197 from human recombinant adrenergic alpha2B receptor expressed in CHO cells


J Med Chem 51: 4289-99 (2008)


Article DOI: 10.1021/jm800250z
BindingDB Entry DOI: 10.7270/Q2HQ4147
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50412257
PNG
(CHEMBL523048)
Show SMILES C1CN=C(N1)C(Oc1ccccc1-c1ccccc1)c1ccccc1 |c:2|
Show InChI InChI=1S/C22H20N2O/c1-3-9-17(10-4-1)19-13-7-8-14-20(19)25-21(22-23-15-16-24-22)18-11-5-2-6-12-18/h1-14,21H,15-16H2,(H,23,24)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 776n/an/an/an/a



Universit£ degli Studi di Camerino

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant adrenergic Alpha-2C receptor expressed in CHO cells assessed as stimulation of extracellular acidification


J Med Chem 51: 4289-99 (2008)


Article DOI: 10.1021/jm800250z
BindingDB Entry DOI: 10.7270/Q2HQ4147
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50412257
PNG
(CHEMBL523048)
Show SMILES C1CN=C(N1)C(Oc1ccccc1-c1ccccc1)c1ccccc1 |c:2|
Show InChI InChI=1S/C22H20N2O/c1-3-9-17(10-4-1)19-13-7-8-14-20(19)25-21(22-23-15-16-24-22)18-11-5-2-6-12-18/h1-14,21H,15-16H2,(H,23,24)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.00E+3n/an/an/an/a



Universit£ degli Studi di Camerino

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant adrenergic alpha2A receptor expressed in CHO cells assessed as stimulation of extracellular acidification


J Med Chem 51: 4289-99 (2008)


Article DOI: 10.1021/jm800250z
BindingDB Entry DOI: 10.7270/Q2HQ4147
More data for this
Ligand-Target Pair