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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-1D adrenergic receptor' and Ligand = 'BDBM50100565'   
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))
BDBM50100565
PNG
(6-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...)
Show SMILES COc1ccccc1N1CCN(CCn2nc(-c3ccccc3)c3c(C)onc3c2=O)CC1
Show InChI InChI=1S/C25H27N5O3/c1-18-22-23(19-8-4-3-5-9-19)26-30(25(31)24(22)27-33-18)17-14-28-12-15-29(16-13-28)20-10-6-7-11-21(20)32-2/h3-11H,12-17H2,1-2H3
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.5n/an/an/an/an/an/an/an/a



Universit£ di Catania

Curated by ChEMBL


Assay Description
In vitro binding affinity at human Alpha-1D adrenergic receptor.


J Med Chem 46: 2877-94 (2003)


Article DOI: 10.1021/jm0307741
BindingDB Entry DOI: 10.7270/Q2G73FFQ
More data for this
Ligand-Target Pair