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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-1A adrenergic receptor' and Ligand = 'BDBM50416779'   
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-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50416779
PNG
(CHEMBL1242541)
Show SMILES COc1ccccc1N1CCN(C[C@H]2CO[C@](CN3CCCCC3=O)(O2)c2ccccc2)CC1 |r|
Show InChI InChI=1S/C27H35N3O4/c1-32-25-12-6-5-11-24(25)29-17-15-28(16-18-29)19-23-20-33-27(34-23,22-9-3-2-4-10-22)21-30-14-8-7-13-26(30)31/h2-6,9-12,23H,7-8,13-21H2,1H3/t23-,27+/m0/s1
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PC cid
PC sid
UniChem
Article
PubMed
0.871n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement [3H]prazosin of human recombinant alpha1A adrenergic receptor expressed in CHO cells by rapid filtration technique


Eur J Med Chem 45: 3740-51 (2010)


Article DOI: 10.1016/j.ejmech.2010.05.023
BindingDB Entry DOI: 10.7270/Q2ZS2XR1
More data for this
Ligand-Target Pair