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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor' and Ligand = 'BDBM50131662'   
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-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50131662
PNG
(CHEMBL104363)
Show SMILES CCCC1CCN(CC1)[C@@H](C)[C@@H](O)c1ccc(O)cc1
Show InChI InChI=1S/C17H27NO2/c1-3-4-14-9-11-18(12-10-14)13(2)17(20)15-5-7-16(19)8-6-15/h5-8,13-14,17,19-20H,3-4,9-12H2,1-2H3/t13-,17+/m0/s1
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KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.87E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity against alpha-1 adrenergic receptor


J Med Chem 34: 3085-90 (1991)


Article DOI: 10.1021/jm00114a018
BindingDB Entry DOI: 10.7270/Q2FN155W
More data for this
Ligand-Target Pair