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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'adrenergic Alpha2' and Ligand = 'BDBM82368'   
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
adrenergic Alpha2


(BOVINE)
BDBM82368
PNG
(CAS_121851 | CHEMBL11592 | CHEMBL301060 | NSC_1218...)
Show SMILES CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2cccc(OC)c2C1
Show InChI InChI=1S/C26H38N2O4/c1-3-13-27(20-16-21-22(31-2)9-8-10-23(21)32-19-20)14-6-7-15-28-24(29)17-26(18-25(28)30)11-4-5-12-26/h8-10,20H,3-7,11-19H2,1-2H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 20n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Binding affinity against alpha-2 adrenergic receptor in calf frontal cortex


J Med Chem 37: 1779-93 (1994)


Article DOI: 10.1021/jm00038a007
BindingDB Entry DOI: 10.7270/Q2HH6KPQ
More data for this
Ligand-Target Pair
adrenergic Alpha2


(BOVINE)
BDBM82368
PNG
(CAS_121851 | CHEMBL11592 | CHEMBL301060 | NSC_1218...)
Show SMILES CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2cccc(OC)c2C1
Show InChI InChI=1S/C26H38N2O4/c1-3-13-27(20-16-21-22(31-2)9-8-10-23(21)32-19-20)14-6-7-15-28-24(29)17-26(18-25(28)30)11-4-5-12-26/h8-10,20H,3-7,11-19H2,1-2H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Binding affinity against alpha-2 adrenergic receptor in calf frontal cortex


J Med Chem 37: 1779-93 (1994)


Article DOI: 10.1021/jm00038a007
BindingDB Entry DOI: 10.7270/Q2HH6KPQ
More data for this
Ligand-Target Pair