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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Alpha-1D adrenergic receptor' and Ligand = 'BDBM50143697'   
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-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50143697
PNG
(8-{2-[4-(2,5-Dichloro-phenyl)-piperazin-1-yl]-ethy...)
Show SMILES Clc1ccc(Cl)c(c1)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Show InChI InChI=1S/C21H27Cl2N3O2/c22-16-3-4-17(23)18(13-16)25-10-7-24(8-11-25)9-12-26-19(27)14-21(15-20(26)28)5-1-2-6-21/h3-4,13H,1-2,5-12,14-15H2
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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
0.129n/an/an/an/an/an/an/an/a



Universit£ di Catania

Curated by ChEMBL


Assay Description
Displacement of [125I]BE-2254 from human adrenergic Alpha-1D receptor expressed in HEK293 cells


Eur J Med Chem 46: 2676-90 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.054
BindingDB Entry DOI: 10.7270/Q25140G9
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50143697
PNG
(8-{2-[4-(2,5-Dichloro-phenyl)-piperazin-1-yl]-ethy...)
Show SMILES Clc1ccc(Cl)c(c1)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Show InChI InChI=1S/C21H27Cl2N3O2/c22-16-3-4-17(23)18(13-16)25-10-7-24(8-11-25)9-12-26-19(27)14-21(15-20(26)28)5-1-2-6-21/h3-4,13H,1-2,5-12,14-15H2
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
0.130n/an/an/an/an/an/an/an/a



Recordati s.p.a.

Curated by ChEMBL


Assay Description
Binding affinity to the adrenergic receptor alpha-1D of rat aorta


J Med Chem 47: 1900-18 (2004)


Article DOI: 10.1021/jm030944+
BindingDB Entry DOI: 10.7270/Q23F4P35
More data for this
Ligand-Target Pair