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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Beta-1 adrenergic receptor' and Ligand = 'BDBM50272483'   
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
Beta-1 adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50272483
PNG
(CHEMBL4128794)
Show SMILES Cl.COc1ccccc1CNCC(O)COc1cccc2c1oc1ccccc1c2=O
Show InChI InChI=1S/C24H23NO5.ClH/c1-28-20-10-4-2-7-16(20)13-25-14-17(26)15-29-22-12-6-9-19-23(27)18-8-3-5-11-21(18)30-24(19)22;/h2-12,17,25-26H,13-15H2,1H3;1H
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PC cid
PC sid
UniChem

Similars

Article
PubMed
11n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGP-12177 from adrenergic beta1 receptor in Wistar rat cortex incubated for 60 mins by microbeta liquid scintillation counting a...


Bioorg Med Chem 26: 3773-3784 (2018)


Article DOI: 10.1016/j.bmc.2018.04.038
BindingDB Entry DOI: 10.7270/Q2XG9TM7
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50272483
PNG
(CHEMBL4128794)
Show SMILES Cl.COc1ccccc1CNCC(O)COc1cccc2c1oc1ccccc1c2=O
Show InChI InChI=1S/C24H23NO5.ClH/c1-28-20-10-4-2-7-16(20)13-25-14-17(26)15-29-22-12-6-9-19-23(27)18-8-3-5-11-21(18)30-24(19)22;/h2-12,17,25-26H,13-15H2,1H3;1H
PDB

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KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 179n/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGP-12177 from adrenergic beta1 receptor in Wistar rat cortex incubated for 60 mins by microbeta liquid scintillation counting a...


Bioorg Med Chem 26: 3773-3784 (2018)


Article DOI: 10.1016/j.bmc.2018.04.038
BindingDB Entry DOI: 10.7270/Q2XG9TM7
More data for this
Ligand-Target Pair