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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Apelin receptor' and Ligand = 'BDBM50567166'   
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
Apelin receptor


(Homo sapiens (Human))
BDBM50567166
PNG
(CHEMBL4850182)
Show SMILES CCCCc1[nH]c(=O)c(c(O)c1-c1c(OC)cccc1OC)S(=O)(=O)c1ccc(cc1)-n1ccccc1=O |(54.82,-54.94,;56.15,-55.71,;57.48,-54.94,;58.82,-55.7,;60.15,-54.94,;60.15,-53.4,;61.48,-52.63,;61.48,-51.09,;62.82,-53.39,;62.82,-54.94,;64.16,-55.71,;61.48,-55.71,;61.49,-57.25,;62.82,-58.01,;64.15,-57.24,;65.48,-58.01,;62.82,-59.55,;61.48,-60.33,;60.15,-59.55,;60.15,-58.02,;58.82,-57.24,;57.48,-58.01,;64.15,-52.61,;63.37,-51.27,;64.91,-51.27,;65.48,-53.38,;65.48,-54.91,;66.82,-55.68,;68.15,-54.9,;68.14,-53.36,;66.8,-52.6,;69.49,-55.67,;69.49,-57.21,;70.83,-57.97,;72.16,-57.2,;72.15,-55.65,;70.81,-54.89,;70.8,-53.35,)|
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B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 0.5n/an/an/an/a


TBA

Assay Description
Agonist activity at human APJ receptor assessed as effect on cAMP accumulation by cAMP-Glo assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128325
BindingDB Entry DOI: 10.7270/Q2KD22N4
More data for this
Ligand-Target Pair
Apelin receptor


(Mus musculus)
BDBM50567166
PNG
(CHEMBL4850182)
Show SMILES CCCCc1[nH]c(=O)c(c(O)c1-c1c(OC)cccc1OC)S(=O)(=O)c1ccc(cc1)-n1ccccc1=O |(54.82,-54.94,;56.15,-55.71,;57.48,-54.94,;58.82,-55.7,;60.15,-54.94,;60.15,-53.4,;61.48,-52.63,;61.48,-51.09,;62.82,-53.39,;62.82,-54.94,;64.16,-55.71,;61.48,-55.71,;61.49,-57.25,;62.82,-58.01,;64.15,-57.24,;65.48,-58.01,;62.82,-59.55,;61.48,-60.33,;60.15,-59.55,;60.15,-58.02,;58.82,-57.24,;57.48,-58.01,;64.15,-52.61,;63.37,-51.27,;64.91,-51.27,;65.48,-53.38,;65.48,-54.91,;66.82,-55.68,;68.15,-54.9,;68.14,-53.36,;66.8,-52.6,;69.49,-55.67,;69.49,-57.21,;70.83,-57.97,;72.16,-57.2,;72.15,-55.65,;70.81,-54.89,;70.8,-53.35,)|
PDB

Reactome pathway
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GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 2n/an/an/an/a


TBA

Assay Description
Agonist activity at mouse APJ receptor assessed as effect on cAMP accumulation by cAMP-Glo assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128325
BindingDB Entry DOI: 10.7270/Q2KD22N4
More data for this
Ligand-Target Pair
Apelin receptor


(Rattus norvegicus)
BDBM50567166
PNG
(CHEMBL4850182)
Show SMILES CCCCc1[nH]c(=O)c(c(O)c1-c1c(OC)cccc1OC)S(=O)(=O)c1ccc(cc1)-n1ccccc1=O |(54.82,-54.94,;56.15,-55.71,;57.48,-54.94,;58.82,-55.7,;60.15,-54.94,;60.15,-53.4,;61.48,-52.63,;61.48,-51.09,;62.82,-53.39,;62.82,-54.94,;64.16,-55.71,;61.48,-55.71,;61.49,-57.25,;62.82,-58.01,;64.15,-57.24,;65.48,-58.01,;62.82,-59.55,;61.48,-60.33,;60.15,-59.55,;60.15,-58.02,;58.82,-57.24,;57.48,-58.01,;64.15,-52.61,;63.37,-51.27,;64.91,-51.27,;65.48,-53.38,;65.48,-54.91,;66.82,-55.68,;68.15,-54.9,;68.14,-53.36,;66.8,-52.6,;69.49,-55.67,;69.49,-57.21,;70.83,-57.97,;72.16,-57.2,;72.15,-55.65,;70.81,-54.89,;70.8,-53.35,)|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 3n/an/an/an/a


TBA

Assay Description
Agonist activity at rat APJ receptor assessed as effect on cAMP accumulation by cAMP-Glo assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128325
BindingDB Entry DOI: 10.7270/Q2KD22N4
More data for this
Ligand-Target Pair